*HEADER    TRANSPORT PROTEIN                       27-FEB-14   2RU9              
*TITLE     STRUCTURE OF THE YAM DOMAIN OF E. COLI TRANSPORTER YAJR               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PREDICTED TRANSPORTER;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: YAM DOMAIN, UNP RESIDUES 389-454;                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 585395;                                              
*SOURCE   4 STRAIN: O103:H2 STR. 12009;                                          
*SOURCE   5 GENE: YAJR;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-28A                                    
*KEYWDS    FERREDOXIN LIKE, TRANSPORT PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.LIU, W.FENG                                                         
*REVDAT   1   02-JUL-14 2RU9    0                                                


assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   58 and name  HE1) 3.922 1.923 1.923 weight 1.000 ! spec=2D Nnoesy, no=8, id=1907, vol=2.107000e+00
    or (segid "    " and resid   62 and name  HG2) (segid "    " and resid   58 and name  HE1)





assign (resid 61 and name HN ) (resid 57 and name O ) 2.2 0.4 0.0
assign (resid 62 and name HN ) (resid 58 and name O ) 2.2 0.4 0.0
assign (resid 63 and name HN ) (resid 59 and name O ) 2.2 0.4 0.0
assign (resid 64 and name HN ) (resid 60 and name O ) 2.2 0.4 0.0
assign (resid 65 and name HN ) (resid 61 and name O ) 2.2 0.4 0.0
assign (resid 66 and name HN ) (resid 62 and name O ) 2.2 0.4 0.0
assign (resid 67 and name HN ) (resid 63 and name O ) 2.2 0.4 0.0
assign (resid 26 and name HN ) (resid 22 and name O ) 2.2 0.4 0.0
assign (resid 27 and name HN ) (resid 23 and name O ) 2.2 0.4 0.0
assign (resid 28 and name HN ) (resid 24 and name O ) 2.2 0.4 0.0
assign (resid 29 and name HN ) (resid 25 and name O ) 2.2 0.4 0.0
assign (resid 8 and name HN ) (resid 50 and name O ) 2.2 0.4 0.0
assign (resid 10 and name HN ) (resid 48 and name O ) 2.2 0.4 0.0
assign (resid 12 and name HN ) (resid 46 and name O ) 2.2 0.4 0.0
assign (resid 14 and name HN ) (resid 44 and name O ) 2.2 0.4 0.0
assign (resid 48 and name HN ) (resid 10 and name O ) 2.2 0.4 0.0
assign (resid 46 and name HN ) (resid 12 and name O ) 2.2 0.4 0.0
assign (resid 50 and name HN ) (resid 8 and name O ) 2.2 0.4 0.0
assign (resid 38 and name HN ) (resid 47 and name O ) 2.2 0.4 0.0
assign (resid 47 and name HN ) (resid 38 and name O ) 2.2 0.4 0.0
assign (resid 40 and name HN ) (resid 45 and name O ) 2.2 0.4 0.0
assign (resid 45 and name HN ) (resid 40 and name O ) 2.2 0.4 0.0
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! pred.tab
!
! settings: min phiError=None, min psiError=None, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -89  44 2

! Talos derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -68  18 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -99  45 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -116  55 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -97  41 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -108  16 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -103  26 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -94  45 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -57  15 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -61  14 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -105  50 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -107  41 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -103  64 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -58  10 2

! Talos derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -66  13 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -65   7 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -60   7 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -59  13 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -63  11 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -63  13 2

! Talos derived phi restraint:
assign (resid  28 and name C)
       (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       1.0 -70  16 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -97  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -82  46 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -81  43 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -144  25 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -136  26 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -107  27 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -103  26 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -101  50 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -61  11 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -68  17 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -100  32 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -139  42 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -130  34 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -105  28 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -113  24 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -113  33 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -132  25 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -97  64 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -74  14 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -101  58 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -60  11 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -66  15 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -68  11 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -65   9 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -61  12 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -62   7 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -63  14 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -65   6 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -61   9 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -62   7 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -60  12 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -68  30 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -84  40 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 125  48 2

! Talos derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 148  25 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 137  44 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 129  38 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 122  28 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 120  18 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 123  14 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 136  37 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 141  16 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 127  51 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 106  46 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 157  55 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -35   9 2

! Talos derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 -41   9 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -38  14 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -45   8 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 -42   9 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 -42  13 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 -40   9 2

! Talos derived psi restraint:
assign (resid  29 and name N)
       (resid  29 and name CA)
       (resid  29 and name C)
       (resid  30 and name N)
       1.0 -26  21 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0  -1  42 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 126  17 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 138  21 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 150   9 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 131  17 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 123  17 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 113  20 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 116  55 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 -28  27 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -25  27 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0   4  22 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 157  25 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 131  42 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 123  18 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 126  16 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 134  30 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 155  26 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 123  31 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -19  28 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 162  30 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 -37  15 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 -43   9 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 -36  16 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 -44  10 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 -39  10 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -41   9 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -38  13 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -43   7 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -40   8 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 -41  13 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 -38  16 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 -38  24 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 -18  38 2

assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   58 and name  HE1) 3.922 1.923 1.923 weight 1.000 ! spec=2D Nnoesy, no=8, id=1907, vol=2.107000e+00
    or (segid "    " and resid   62 and name  HG2) (segid "    " and resid   58 and name  HE1)
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   44 and name  HD2) 3.993 1.993 1.993 weight 1.000 ! spec=2D Nnoesy, no=3, id=1902, vol=3.690000e-01
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    6 and name  HE2) 4.203 2.209 2.209 weight 1.000 ! spec=2D Nnoesy, no=4, id=1903, vol=1.644000e+00
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    6 and name  HE2) 4.261 2.269 2.269 weight 1.000 ! spec=2D Nnoesy, no=5, id=1904, vol=1.926000e+00
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   58 and name  HD1) 4.056 2.056 2.056 weight 1.000 ! spec=2D Nnoesy, no=6, id=1905, vol=7.100000e+04
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   58 and name  HD1) 3.646 3.646 2.354 weight 1.000 ! spec=2D Nnoesy, no=7, id=1906, vol=1.810000e+06
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name  HE2) 4.414 2.436 2.436 weight 1.000 ! spec=2D Nnoesy, no=9, id=1908, vol=2.278000e+00
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   58 and name  HD1) 3.774 3.774 2.226 weight 1.000 ! spec=2D Nnoesy, no=10, id=1909, vol=6.290000e+05
assign (segid "    " and resid   59 and name  HG2) (segid "    " and resid   58 and name  HD1) 4.028 2.028 2.028 weight 1.000 ! spec=2D Nnoesy, no=11, id=1910, vol=4.550000e+05
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   58 and name  HD1) 3.714 1.725 1.725 weight 1.000 ! spec=2D Nnoesy, no=13, id=1912, vol=3.970000e+05
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   11 and name  HD1) 4.238 2.245 2.245 weight 1.000 ! spec=2D Nnoesy, no=15, id=1914, vol=1.160000e+06
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   45 and name  HB2) 3.759 1.767 1.767 weight 1.000 ! spec=2D Nnoesy, no=16, id=1915, vol=1.050000e+06
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   38 and name  HB1) 4.131 2.134 2.134 weight 1.000 ! spec=2D Nnoesy, no=17, id=1916, vol=9.210000e+05
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   11 and name  HD2) 3.627 1.644 1.644 weight 1.000 ! spec=2D Nnoesy, no=18, id=1917, vol=1.670000e+06
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   40 and name  HB1) 2.839 1.007 1.007 weight 1.000 ! spec=2D Nnoesy, no=19, id=1918, vol=5.470000e+06
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   11 and name  HG1) 4.229 2.236 2.236 weight 1.000 ! spec=2D Nnoesy, no=20, id=1919, vol=7.860000e+05
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   38 and name  HB1) 4.810 2.892 2.892 weight 1.000 ! spec=2D Nnoesy, no=21, id=1920, vol=1.720000e+06
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   40 and name  HB1) 3.528 1.556 1.556 weight 1.000 ! spec=2D Nnoesy, no=22, id=1921, vol=2.560000e+06
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   47 and name  HE2) 2.667 0.889 0.889 weight 1.000 ! spec=2D Nnoesy, no=24, id=1923, vol=8.530000e+06
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   38 and name HD21) 3.730 1.739 1.739 weight 1.000 ! spec=2D Nnoesy, no=25, id=1924, vol=8.590000e+05
assign (segid "    " and resid    6 and name  HD2) (segid "    " and resid    6 and name  HE2) 2.444 0.747 0.747 weight 1.000 ! spec=2D Nnoesy, no=29, id=1928, vol=4.780000e+06
assign (segid "    " and resid   58 and name  HE1) (segid "    " and resid   58 and name  HD1) 2.083 0.542 0.542 weight 1.000 ! spec=2D Nnoesy, no=32, id=1931, vol=1.680000e+07
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   16 and name   HA) 3.628 1.645 1.645 weight 1.000 ! spec=2D Nnoesy, no=33, id=1932, vol=9.810000e+06
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   44 and name  HB1) 4.128 2.131 2.131 weight 1.000 ! spec=2D Nnoesy, no=34, id=1933, vol=1.050000e+06
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   44 and name  HB2) 3.852 1.855 1.855 weight 1.000 ! spec=2D Nnoesy, no=35, id=1934, vol=1.280000e+06
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   14 and name HG21) 3.936 1.936 1.936 weight 1.000 ! spec=2D Nnoesy, no=36, id=1935, vol=3.370000e+05
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   14 and name   HB) 3.450 1.487 1.487 weight 1.000 ! spec=2D Nnoesy, no=37, id=1936, vol=2.460000e+06
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   19 and name   HA) 3.455 1.492 1.492 weight 1.000 ! spec=2D Nnoesy, no=38, id=1937, vol=1.300000e+06
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   16 and name  HB1) 4.232 2.238 2.238 weight 1.000 ! spec=2D Nnoesy, no=39, id=1938, vol=3.880000e+05
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   16 and name   HA) 3.871 1.873 1.873 weight 1.000 ! spec=2D Nnoesy, no=40, id=1939, vol=1.140000e+06
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   14 and name HG21) 3.783 1.789 1.789 weight 1.000 ! spec=2D Nnoesy, no=41, id=1940, vol=5.200000e+05
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.744 0.941 0.941 weight 1.000 ! spec=3D Cnoesy, no=3, id=627, vol=2.000000e+00
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HG2) 2.851 1.016 1.016 weight 1.000 ! spec=3D Cnoesy, no=4, id=628, vol=2.262000e+00
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name  HD2) 2.264 0.641 0.641 weight 1.000 ! spec=3D Cnoesy, no=5, id=629, vol=3.813000e+00
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    4 and name  HD1) 3.348 1.401 1.401 weight 1.000 ! spec=3D Cnoesy, no=9, id=633, vol=1.310000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=10, id=634, vol=2.990000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HB1) 1.994 0.497 0.497 weight 1.000 ! spec=3D Cnoesy, no=11, id=635, vol=1.658000e+00
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HD1) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=13, id=637, vol=1.630000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG2) 2.299 0.661 0.661 weight 1.000 ! spec=3D Cnoesy, no=14, id=638, vol=1.975000e+00
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HA) 2.929 1.072 1.072 weight 1.000 ! spec=3D Cnoesy, no=15, id=639, vol=9.390000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HD2) 3.460 1.496 1.496 weight 1.000 ! spec=3D Cnoesy, no=17, id=641, vol=9.230000e+06
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HG2) 2.328 0.677 0.677 weight 1.000 ! spec=3D Cnoesy, no=18, id=642, vol=1.955000e+00
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name  HD1) 2.826 0.999 0.999 weight 1.000 ! spec=3D Cnoesy, no=20, id=644, vol=1.880000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HD2) 3.204 1.283 1.283 weight 1.000 ! spec=3D Cnoesy, no=22, id=646, vol=6.880000e+06
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HG2) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=25, id=649, vol=2.720000e+08
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    7 and name HG11) 3.720 1.730 1.730 weight 1.000 ! spec=3D Cnoesy, no=26, id=650, vol=5.160000e+06
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name  HD1) 2.386 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=27, id=651, vol=4.573000e+00
assign (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HB1) 2.820 0.994 0.994 weight 1.000 ! spec=3D Cnoesy, no=28, id=652, vol=1.950000e+07
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HD1) 1.820 0.414 0.414 weight 1.000 ! spec=3D Cnoesy, no=29, id=653, vol=3.803000e+00
assign (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HG2) 2.242 0.628 0.628 weight 1.000 ! spec=3D Cnoesy, no=30, id=654, vol=8.270000e+07
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA) 3.168 1.255 1.255 weight 1.000 ! spec=3D Cnoesy, no=32, id=656, vol=1.960000e+07
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    7 and name HG11) 3.186 1.269 1.269 weight 1.000 ! spec=3D Cnoesy, no=36, id=660, vol=8.590000e-01
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.188 0.598 0.598 weight 1.000 ! spec=3D Cnoesy, no=37, id=661, vol=2.179000e+00
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.518 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=38, id=662, vol=1.748000e+00
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HD2) 3.530 1.558 1.558 weight 1.000 ! spec=3D Cnoesy, no=39, id=663, vol=3.742000e+00
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HG1) 2.701 0.912 0.912 weight 1.000 ! spec=3D Cnoesy, no=40, id=664, vol=1.963000e+00
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name  HG1) 2.112 0.557 0.557 weight 1.000 ! spec=3D Cnoesy, no=44, id=668, vol=1.959000e+00
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name  HB1) 1.939 0.470 0.470 weight 1.000 ! spec=3D Cnoesy, no=46, id=670, vol=2.173000e+00
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HG1) 2.122 0.322 3.878 weight 1.000 ! spec=3D Cnoesy, no=48, id=672, vol=1.955000e+00
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    4 and name   HA) 2.315 0.670 0.670 weight 1.000 ! spec=3D Cnoesy, no=49, id=673, vol=4.627000e+00
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    4 and name  HB2) 3.232 1.306 1.306 weight 1.000 ! spec=3D Cnoesy, no=50, id=674, vol=6.390000e+06
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name  HD2) 3.331 1.387 1.387 weight 1.000 ! spec=3D Cnoesy, no=51, id=675, vol=1.250000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name  HD2) 3.189 1.271 1.271 weight 1.000 ! spec=3D Cnoesy, no=52, id=676, vol=7.340000e+06
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HD2) 3.262 1.330 1.330 weight 1.000 ! spec=3D Cnoesy, no=53, id=677, vol=1.790000e+08
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name  HD1) 1.830 0.419 0.419 weight 1.000 ! spec=3D Cnoesy, no=54, id=678, vol=3.587000e+00
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name  HG2) 2.472 0.764 0.764 weight 1.000 ! spec=3D Cnoesy, no=55, id=679, vol=2.860000e+08
assign (segid "    " and resid    5 and name  HD1) (segid "    " and resid    4 and name   HA) 2.386 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=56, id=680, vol=4.615000e+00
assign (segid "    " and resid    5 and name  HD1) (segid "    " and resid    4 and name  HB2) 2.845 1.012 1.012 weight 1.000 ! spec=3D Cnoesy, no=57, id=681, vol=1.630000e+07
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HA) 3.237 1.310 1.310 weight 1.000 ! spec=3D Cnoesy, no=59, id=683, vol=9.280000e+06
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name  HB2) 2.288 0.655 0.655 weight 1.000 ! spec=3D Cnoesy, no=60, id=684, vol=2.169000e+00
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name  HB1) 2.304 0.664 0.664 weight 1.000 ! spec=3D Cnoesy, no=61, id=685, vol=1.757000e+00
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB2) 2.279 0.649 0.649 weight 1.000 ! spec=3D Cnoesy, no=65, id=689, vol=3.036000e+00
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HD2) 2.484 0.772 0.772 weight 1.000 ! spec=3D Cnoesy, no=67, id=691, vol=4.020000e+07
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name HG11) 3.681 1.694 1.694 weight 1.000 ! spec=3D Cnoesy, no=68, id=692, vol=6.690000e+06
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid   53 and name  HD2) 3.673 1.687 1.687 weight 1.000 ! spec=3D Cnoesy, no=69, id=693, vol=5.660000e+06
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid   53 and name  HG2) 3.395 1.441 1.441 weight 1.000 ! spec=3D Cnoesy, no=70, id=694, vol=1.450000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   51 and name   HA) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=72, id=696, vol=4.753000e+00
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    7 and name   HA) 3.156 1.245 1.245 weight 1.000 ! spec=3D Cnoesy, no=73, id=697, vol=1.520000e+07
assign (segid "    " and resid    4 and name  HD1) (segid "    " and resid    7 and name HG11) 2.710 0.918 0.918 weight 1.000 ! spec=3D Cnoesy, no=75, id=699, vol=5.670000e+08
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HG11) 2.459 0.756 0.756 weight 1.000 ! spec=3D Cnoesy, no=76, id=700, vol=3.180000e+07
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    7 and name HG11) 2.101 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=77, id=701, vol=1.973000e+00
assign (segid "    " and resid    7 and name HG11) (segid "    " and resid   35 and name  HE1) 3.134 1.228 1.228 weight 1.000 ! spec=3D Cnoesy, no=78, id=702, vol=4.680000e+08
assign (segid "    " and resid    7 and name HG11) (segid "    " and resid   35 and name  HD2) 2.545 0.745 3.455 weight 1.000 ! spec=3D Cnoesy, no=79, id=703, vol=1.605000e+00
assign (segid "    " and resid    7 and name HG11) (segid "    " and resid   35 and name  HB1) 2.715 0.921 0.921 weight 1.000 ! spec=3D Cnoesy, no=80, id=704, vol=1.451000e+00
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=81, id=705, vol=4.675000e+00
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   10 and name HD21) 3.058 1.169 1.169 weight 1.000 ! spec=3D Cnoesy, no=82, id=706, vol=7.860000e-01
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   50 and name   HB) 3.468 1.503 1.503 weight 1.000 ! spec=3D Cnoesy, no=83, id=707, vol=4.270000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   50 and name HG12) 3.166 1.253 1.253 weight 1.000 ! spec=3D Cnoesy, no=85, id=709, vol=4.290000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   50 and name HG11) 3.108 1.208 1.208 weight 1.000 ! spec=3D Cnoesy, no=86, id=710, vol=8.910000e-01
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HG) 3.048 1.161 1.161 weight 1.000 ! spec=3D Cnoesy, no=88, id=712, vol=1.538000e+00
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=3D Cnoesy, no=89, id=713, vol=7.190000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   11 and name  HB2) 3.185 1.385 2.815 weight 1.000 ! spec=3D Cnoesy, no=90, id=714, vol=3.930000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   49 and name  HD2) 3.371 1.571 2.629 weight 1.000 ! spec=3D Cnoesy, no=91, id=715, vol=3.980000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   49 and name  HE2) 3.364 1.415 1.415 weight 1.000 ! spec=3D Cnoesy, no=92, id=716, vol=2.750000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   49 and name  HG1) 3.534 1.562 1.562 weight 1.000 ! spec=3D Cnoesy, no=93, id=717, vol=8.780000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=3D Cnoesy, no=94, id=718, vol=3.850000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name HD11) 2.467 0.760 0.760 weight 1.000 ! spec=3D Cnoesy, no=96, id=720, vol=2.970000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   12 and name HG12) 3.413 1.456 1.456 weight 1.000 ! spec=3D Cnoesy, no=98, id=722, vol=1.670000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   12 and name HG11) 3.664 1.678 1.678 weight 1.000 ! spec=3D Cnoesy, no=99, id=723, vol=2.090000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   47 and name   HA) 3.771 1.778 1.778 weight 1.000 ! spec=3D Cnoesy, no=100, id=724, vol=1.300000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=3D Cnoesy, no=102, id=726, vol=4.050000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name  HB1) 1.931 0.466 0.466 weight 1.000 ! spec=3D Cnoesy, no=103, id=727, vol=2.670000e+09
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name HD11) 2.515 0.791 0.791 weight 1.000 ! spec=3D Cnoesy, no=104, id=728, vol=3.860000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   12 and name HG12) 3.559 1.583 1.583 weight 1.000 ! spec=3D Cnoesy, no=106, id=730, vol=1.650000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   12 and name HG11) 3.742 1.751 1.751 weight 1.000 ! spec=3D Cnoesy, no=107, id=731, vol=1.890000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   47 and name   HA) 3.837 1.840 1.840 weight 1.000 ! spec=3D Cnoesy, no=108, id=732, vol=3.010000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   48 and name   HB) 3.191 1.273 1.273 weight 1.000 ! spec=3D Cnoesy, no=109, id=733, vol=7.160000e+07
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   61 and name  HB1) 2.869 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=115, id=739, vol=1.978000e+00
assign (segid "    " and resid   10 and name HD21) (segid "    " and resid   10 and name   HA) 2.584 0.835 0.835 weight 1.000 ! spec=3D Cnoesy, no=118, id=742, vol=1.680000e+08
assign (segid "    " and resid   10 and name HD21) (segid "    " and resid   57 and name   HA) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=119, id=743, vol=9.000000e+06
assign (segid "    " and resid   10 and name   HG) (segid "    " and resid   10 and name   HA) 3.368 1.418 1.418 weight 1.000 ! spec=3D Cnoesy, no=122, id=746, vol=4.060000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.730 0.932 0.932 weight 1.000 ! spec=3D Cnoesy, no=123, id=747, vol=1.427000e+00
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.855 1.019 1.019 weight 1.000 ! spec=3D Cnoesy, no=124, id=748, vol=1.644000e+00
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   47 and name   HA) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=126, id=750, vol=5.115000e+00
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HB1) 2.263 0.640 0.640 weight 1.000 ! spec=3D Cnoesy, no=128, id=752, vol=1.635000e+00
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2) 3.176 1.261 1.261 weight 1.000 ! spec=3D Cnoesy, no=129, id=753, vol=7.470000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2) 2.579 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=139, id=763, vol=1.030000e+09
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HG2) 2.825 0.997 0.997 weight 1.000 ! spec=3D Cnoesy, no=140, id=764, vol=3.410000e+08
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HG1) 2.881 1.037 1.037 weight 1.000 ! spec=3D Cnoesy, no=141, id=765, vol=2.970000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.876 1.034 1.034 weight 1.000 ! spec=3D Cnoesy, no=142, id=766, vol=2.520000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.831 1.002 1.002 weight 1.000 ! spec=3D Cnoesy, no=143, id=767, vol=2.210000e+07
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HD2) 1.905 0.454 0.454 weight 1.000 ! spec=3D Cnoesy, no=144, id=768, vol=3.122000e+00
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HG2) 2.874 1.032 1.032 weight 1.000 ! spec=3D Cnoesy, no=145, id=769, vol=3.710000e+08
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HG1) 2.902 1.053 1.053 weight 1.000 ! spec=3D Cnoesy, no=146, id=770, vol=1.110000e+08
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HA) 3.216 1.293 1.293 weight 1.000 ! spec=3D Cnoesy, no=147, id=771, vol=1.530000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.930 1.073 1.073 weight 1.000 ! spec=3D Cnoesy, no=148, id=772, vol=1.416000e+00
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HG2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Cnoesy, no=149, id=773, vol=1.629000e+00
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name  HG1) 2.310 0.667 0.667 weight 1.000 ! spec=3D Cnoesy, no=152, id=776, vol=5.380000e-01
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HG1) 3.142 1.234 1.234 weight 1.000 ! spec=3D Cnoesy, no=154, id=778, vol=1.740000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG1) 2.957 1.093 1.093 weight 1.000 ! spec=3D Cnoesy, no=155, id=779, vol=1.425000e+00
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HG1) 3.067 1.176 1.176 weight 1.000 ! spec=3D Cnoesy, no=156, id=780, vol=2.360000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HB) 2.936 1.077 1.077 weight 1.000 ! spec=3D Cnoesy, no=161, id=785, vol=1.668000e+00
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HG11) 3.030 1.148 1.148 weight 1.000 ! spec=3D Cnoesy, no=163, id=787, vol=1.131000e+00
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HB1) 3.282 1.347 1.347 weight 1.000 ! spec=3D Cnoesy, no=165, id=789, vol=1.903000e+00
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   11 and name   HA) 3.731 1.740 1.740 weight 1.000 ! spec=3D Cnoesy, no=166, id=790, vol=5.030000e+06
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   12 and name HG21) 2.394 0.716 0.716 weight 1.000 ! spec=3D Cnoesy, no=170, id=794, vol=1.160000e+09
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   45 and name   HA) 3.809 1.814 1.814 weight 1.000 ! spec=3D Cnoesy, no=171, id=795, vol=3.520000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   12 and name HD11) 2.665 0.888 0.888 weight 1.000 ! spec=3D Cnoesy, no=173, id=797, vol=1.551000e+00
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   12 and name HD11) 2.743 0.941 0.941 weight 1.000 ! spec=3D Cnoesy, no=174, id=798, vol=1.453000e+00
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   12 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=175, id=799, vol=1.980000e+07
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   12 and name   HB) 2.627 0.827 3.373 weight 1.000 ! spec=3D Cnoesy, no=176, id=800, vol=1.667000e+00
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   12 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=177, id=801, vol=1.211000e+00
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   12 and name HG11) 2.335 0.682 0.682 weight 1.000 ! spec=3D Cnoesy, no=178, id=802, vol=1.130000e+00
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   61 and name   HA) 2.821 0.995 0.995 weight 1.000 ! spec=3D Cnoesy, no=179, id=803, vol=1.030000e+07
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   61 and name  HG2) 3.028 1.146 1.146 weight 1.000 ! spec=3D Cnoesy, no=180, id=804, vol=5.100000e+07
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   61 and name  HG1) 2.885 1.041 1.041 weight 1.000 ! spec=3D Cnoesy, no=181, id=805, vol=2.109000e+00
assign (segid "    " and resid   12 and name HD11) (segid "    " and resid   48 and name   HB) 2.646 0.846 3.354 weight 1.000 ! spec=3D Cnoesy, no=182, id=806, vol=1.963000e+00
assign (segid "    " and resid   12 and name HG12) (segid "    " and resid   11 and name   HA) 4.075 2.076 2.076 weight 1.000 ! spec=3D Cnoesy, no=183, id=807, vol=1.020000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HG12) 2.933 1.075 1.075 weight 1.000 ! spec=3D Cnoesy, no=184, id=808, vol=5.310000e+08
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   12 and name HG12) 2.712 0.920 0.920 weight 1.000 ! spec=3D Cnoesy, no=185, id=809, vol=1.668000e+00
assign (segid "    " and resid   12 and name HG12) (segid "    " and resid   12 and name HG21) 2.426 0.626 3.574 weight 1.000 ! spec=3D Cnoesy, no=186, id=810, vol=7.580000e-01
assign (segid "    " and resid   12 and name HG12) (segid "    " and resid   46 and name  HB1) 2.893 1.046 1.046 weight 1.000 ! spec=3D Cnoesy, no=187, id=811, vol=9.060000e-01
assign (segid "    " and resid   12 and name HG11) (segid "    " and resid   11 and name   HA) 4.009 2.009 2.009 weight 1.000 ! spec=3D Cnoesy, no=188, id=812, vol=4.820000e+07
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   12 and name HG11) 2.759 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=190, id=814, vol=1.670000e+00
assign (segid "    " and resid   12 and name HG11) (segid "    " and resid   12 and name HG12) 1.842 0.424 0.424 weight 1.000 ! spec=3D Cnoesy, no=191, id=815, vol=1.212000e+00
assign (segid "    " and resid   12 and name HG11) (segid "    " and resid   46 and name  HB1) 3.041 1.156 1.156 weight 1.000 ! spec=3D Cnoesy, no=193, id=817, vol=9.110000e-01
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HG21) 2.268 0.643 0.643 weight 1.000 ! spec=3D Cnoesy, no=194, id=818, vol=2.690000e+08
assign (segid "    " and resid   12 and name HG11) (segid "    " and resid   12 and name HG21) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=196, id=820, vol=1.145000e+00
assign (segid "    " and resid   12 and name HG21) (segid "    " and resid   61 and name   HA) 3.256 1.325 1.325 weight 1.000 ! spec=3D Cnoesy, no=197, id=821, vol=9.160000e+07
assign (segid "    " and resid   12 and name HG21) (segid "    " and resid   61 and name  HG2) 3.513 1.543 1.543 weight 1.000 ! spec=3D Cnoesy, no=198, id=822, vol=2.310000e+06
assign (segid "    " and resid   12 and name HG21) (segid "    " and resid   61 and name  HG1) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=199, id=823, vol=2.103000e+00
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   12 and name HG21) 3.132 1.332 2.868 weight 1.000 ! spec=3D Cnoesy, no=200, id=824, vol=7.520000e-01
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.509 0.787 0.787 weight 1.000 ! spec=3D Cnoesy, no=201, id=825, vol=1.933000e+00
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG1) 2.907 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=203, id=827, vol=2.178000e+00
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HB) 3.047 1.247 2.953 weight 1.000 ! spec=3D Cnoesy, no=204, id=828, vol=1.348000e+00
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA) 2.663 0.887 0.887 weight 1.000 ! spec=3D Cnoesy, no=208, id=832, vol=3.710000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.898 1.050 1.050 weight 1.000 ! spec=3D Cnoesy, no=209, id=833, vol=5.100000e+08
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HG2) 1.468 0.270 0.270 weight 1.000 ! spec=3D Cnoesy, no=211, id=835, vol=2.292000e+00
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HD11) 3.125 1.325 2.875 weight 1.000 ! spec=3D Cnoesy, no=212, id=836, vol=3.730000e-01
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name  HD2) 2.292 0.657 0.657 weight 1.000 ! spec=3D Cnoesy, no=214, id=838, vol=3.961000e+00
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name  HG1) 3.256 1.325 1.325 weight 1.000 ! spec=3D Cnoesy, no=216, id=840, vol=1.995000e+00
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name   HA) 3.060 1.171 1.171 weight 1.000 ! spec=3D Cnoesy, no=217, id=841, vol=2.370000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HD11) 2.746 0.943 0.943 weight 1.000 ! spec=3D Cnoesy, no=218, id=842, vol=3.350000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   45 and name   HA) 3.554 1.579 1.579 weight 1.000 ! spec=3D Cnoesy, no=222, id=846, vol=7.530000e+06
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   14 and name HG12) 2.202 0.606 0.606 weight 1.000 ! spec=3D Cnoesy, no=223, id=847, vol=1.364000e+00
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   20 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=3D Cnoesy, no=224, id=848, vol=2.950000e+07
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   24 and name HD11) 1.946 0.473 0.473 weight 1.000 ! spec=3D Cnoesy, no=225, id=849, vol=7.810000e-01
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   44 and name   HA) 3.299 1.361 1.361 weight 1.000 ! spec=3D Cnoesy, no=226, id=850, vol=5.680000e+06
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   45 and name   HA) 2.878 1.036 1.036 weight 1.000 ! spec=3D Cnoesy, no=227, id=851, vol=1.270000e+07
assign (segid "    " and resid   14 and name HD11) (segid "    " and resid   46 and name  HB1) 2.125 0.325 3.875 weight 1.000 ! spec=3D Cnoesy, no=228, id=852, vol=9.140000e-01
assign (segid "    " and resid   14 and name HG12) (segid "    " and resid   14 and name HG11) 2.057 0.529 0.529 weight 1.000 ! spec=3D Cnoesy, no=230, id=854, vol=7.020000e-01
assign (segid "    " and resid   14 and name HG11) (segid "    " and resid   14 and name   HA) 3.036 1.152 1.152 weight 1.000 ! spec=3D Cnoesy, no=232, id=856, vol=4.263000e+00
assign (segid "    " and resid   14 and name HG11) (segid "    " and resid   14 and name HD11) 2.536 0.804 0.804 weight 1.000 ! spec=3D Cnoesy, no=233, id=857, vol=3.690000e-01
assign (segid "    " and resid   14 and name HG11) (segid "    " and resid   45 and name   HA) 3.169 1.256 1.256 weight 1.000 ! spec=3D Cnoesy, no=235, id=859, vol=5.119000e+00
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HG21) 2.335 0.682 0.682 weight 1.000 ! spec=3D Cnoesy, no=236, id=860, vol=1.680000e+08
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HG21) 2.120 0.562 0.562 weight 1.000 ! spec=3D Cnoesy, no=237, id=861, vol=1.344000e+00
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   14 and name HD11) 2.208 0.408 3.792 weight 1.000 ! spec=3D Cnoesy, no=238, id=862, vol=3.660000e-01
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   14 and name HG21) 3.220 1.296 1.296 weight 1.000 ! spec=3D Cnoesy, no=240, id=864, vol=7.810000e-01
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.300 0.661 0.661 weight 1.000 ! spec=3D Cnoesy, no=241, id=865, vol=2.461000e+00
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1) 2.619 0.857 0.857 weight 1.000 ! spec=3D Cnoesy, no=242, id=866, vol=1.854000e+00
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HD2) 3.260 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=243, id=867, vol=3.956000e+00
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 2.695 0.908 0.908 weight 1.000 ! spec=3D Cnoesy, no=244, id=868, vol=2.023000e+00
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   14 and name HG21) 3.387 1.434 1.434 weight 1.000 ! spec=3D Cnoesy, no=247, id=871, vol=3.550000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HB1) 2.049 0.525 0.525 weight 1.000 ! spec=3D Cnoesy, no=249, id=873, vol=1.858000e+00
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HD2) 3.315 1.373 1.373 weight 1.000 ! spec=3D Cnoesy, no=250, id=874, vol=8.020000e+06
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HD1) 3.205 1.284 1.284 weight 1.000 ! spec=3D Cnoesy, no=251, id=875, vol=9.510000e+06
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HG2) 2.388 0.713 0.713 weight 1.000 ! spec=3D Cnoesy, no=252, id=876, vol=2.015000e+00
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   18 and name HD11) 3.293 1.355 1.355 weight 1.000 ! spec=3D Cnoesy, no=253, id=877, vol=3.780000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   18 and name HG12) 3.388 1.435 1.435 weight 1.000 ! spec=3D Cnoesy, no=254, id=878, vol=1.060000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   18 and name HG11) 3.803 1.808 1.808 weight 1.000 ! spec=3D Cnoesy, no=255, id=879, vol=5.450000e+06
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HG2) 2.347 0.688 0.688 weight 1.000 ! spec=3D Cnoesy, no=260, id=884, vol=2.018000e+00
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   18 and name HG21) 3.267 1.334 1.334 weight 1.000 ! spec=3D Cnoesy, no=262, id=886, vol=1.760000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   15 and name  HD2) 3.268 1.335 1.335 weight 1.000 ! spec=3D Cnoesy, no=264, id=888, vol=1.351000e+00
assign (segid "    " and resid   15 and name  HD2) (segid "    " and resid   14 and name HG21) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=265, id=889, vol=6.300000e+07
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HD2) 3.026 1.145 1.145 weight 1.000 ! spec=3D Cnoesy, no=267, id=891, vol=1.848000e+00
assign (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name  HD1) 2.122 0.563 0.563 weight 1.000 ! spec=3D Cnoesy, no=268, id=892, vol=3.362000e+00
assign (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name  HG2) 2.568 0.825 0.825 weight 1.000 ! spec=3D Cnoesy, no=269, id=893, vol=2.012000e+00
assign (segid "    " and resid   15 and name  HD2) (segid "    " and resid   18 and name   HB) 3.266 1.334 1.334 weight 1.000 ! spec=3D Cnoesy, no=270, id=894, vol=1.742000e+00
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name  HD1) 2.493 0.777 0.777 weight 1.000 ! spec=3D Cnoesy, no=271, id=895, vol=5.860000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   15 and name  HD1) 3.134 1.228 1.228 weight 1.000 ! spec=3D Cnoesy, no=272, id=896, vol=2.600000e+07
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   14 and name HD11) 3.828 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=273, id=897, vol=3.880000e+06
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   15 and name  HD1) 2.395 0.717 0.717 weight 1.000 ! spec=3D Cnoesy, no=274, id=898, vol=9.510000e+07
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HD1) 2.942 1.082 1.082 weight 1.000 ! spec=3D Cnoesy, no=276, id=900, vol=1.040000e+08
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HG2) 2.594 0.841 0.841 weight 1.000 ! spec=3D Cnoesy, no=278, id=902, vol=1.160000e+08
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   18 and name   HB) 3.113 1.212 1.212 weight 1.000 ! spec=3D Cnoesy, no=279, id=903, vol=1.870000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   18 and name HD11) 3.098 1.199 1.199 weight 1.000 ! spec=3D Cnoesy, no=286, id=910, vol=7.010000e-01
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   68 and name HD21) 3.183 1.267 1.267 weight 1.000 ! spec=3D Cnoesy, no=287, id=911, vol=7.960000e-01
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name   HA) 3.127 1.223 1.223 weight 1.000 ! spec=3D Cnoesy, no=288, id=912, vol=4.419000e+00
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=3D Cnoesy, no=289, id=913, vol=2.463000e+00
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HD2) 2.695 0.908 0.908 weight 1.000 ! spec=3D Cnoesy, no=290, id=914, vol=3.250000e+07
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HD1) 2.780 0.966 0.966 weight 1.000 ! spec=3D Cnoesy, no=291, id=915, vol=7.250000e+07
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   18 and name HD11) 3.079 1.185 1.185 weight 1.000 ! spec=3D Cnoesy, no=292, id=916, vol=7.030000e-01
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   68 and name HD21) 3.194 1.276 1.276 weight 1.000 ! spec=3D Cnoesy, no=293, id=917, vol=7.930000e-01
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   14 and name HG21) 3.623 1.641 1.641 weight 1.000 ! spec=3D Cnoesy, no=294, id=918, vol=7.890000e-01
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=3D Cnoesy, no=295, id=919, vol=9.900000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name  HB1) 2.836 1.036 3.164 weight 1.000 ! spec=3D Cnoesy, no=297, id=921, vol=1.120000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.104 0.304 3.896 weight 1.000 ! spec=3D Cnoesy, no=298, id=922, vol=7.300000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name  HB1) 3.359 1.410 1.410 weight 1.000 ! spec=3D Cnoesy, no=299, id=923, vol=1.328000e+00
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.340 0.685 0.685 weight 1.000 ! spec=3D Cnoesy, no=300, id=924, vol=2.760000e+00
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.298 0.660 0.660 weight 1.000 ! spec=3D Cnoesy, no=301, id=925, vol=2.608000e+00
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   16 and name  HB1) 3.619 1.637 1.637 weight 1.000 ! spec=3D Cnoesy, no=302, id=926, vol=7.130000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HB1) 1.872 0.438 0.438 weight 1.000 ! spec=3D Cnoesy, no=304, id=928, vol=2.608000e+00
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   16 and name  HB1) 3.626 1.644 1.644 weight 1.000 ! spec=3D Cnoesy, no=305, id=929, vol=8.770000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HB) 2.878 1.035 1.035 weight 1.000 ! spec=3D Cnoesy, no=308, id=932, vol=1.760000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name HG12) 2.757 0.950 0.950 weight 1.000 ! spec=3D Cnoesy, no=309, id=933, vol=1.346000e+00
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name HG11) 2.671 0.892 0.892 weight 1.000 ! spec=3D Cnoesy, no=310, id=934, vol=3.180000e+07
assign (segid "    " and resid   18 and name   HB) (segid "    " and resid   18 and name HG12) 2.717 0.922 0.922 weight 1.000 ! spec=3D Cnoesy, no=314, id=938, vol=4.080000e+07
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   18 and name HD11) 2.685 0.901 0.901 weight 1.000 ! spec=3D Cnoesy, no=318, id=942, vol=1.849000e+00
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   18 and name HD11) 2.637 0.837 3.363 weight 1.000 ! spec=3D Cnoesy, no=319, id=943, vol=1.870000e+07
assign (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=3D Cnoesy, no=320, id=944, vol=2.310000e+07
assign (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name   HB) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=321, id=945, vol=1.741000e+00
assign (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name HG12) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=322, id=946, vol=1.372000e+00
assign (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name HG11) 2.100 0.300 3.900 weight 1.000 ! spec=3D Cnoesy, no=323, id=947, vol=9.720000e-01
assign (segid "    " and resid   18 and name HG12) (segid "    " and resid   15 and name  HD1) 3.567 1.591 1.591 weight 1.000 ! spec=3D Cnoesy, no=324, id=948, vol=7.270000e+06
assign (segid "    " and resid   18 and name HG12) (segid "    " and resid   18 and name HG11) 2.084 0.543 0.543 weight 1.000 ! spec=3D Cnoesy, no=326, id=950, vol=9.790000e-01
assign (segid "    " and resid   18 and name HG11) (segid "    " and resid   15 and name  HB1) 3.360 1.411 1.411 weight 1.000 ! spec=3D Cnoesy, no=327, id=951, vol=1.857000e+00
assign (segid "    " and resid   18 and name HG11) (segid "    " and resid   15 and name  HG2) 3.678 1.691 1.691 weight 1.000 ! spec=3D Cnoesy, no=328, id=952, vol=8.810000e+06
assign (segid "    " and resid   18 and name   HB) (segid "    " and resid   18 and name HG11) 2.908 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=330, id=954, vol=1.728000e+00
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name HG21) 2.351 0.551 3.649 weight 1.000 ! spec=3D Cnoesy, no=333, id=957, vol=2.050000e+08
assign (segid "    " and resid   18 and name   HB) (segid "    " and resid   18 and name HG21) 2.077 0.539 0.539 weight 1.000 ! spec=3D Cnoesy, no=334, id=958, vol=1.732000e+00
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   18 and name HG21) 3.125 1.220 1.220 weight 1.000 ! spec=3D Cnoesy, no=335, id=959, vol=7.760000e-01
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.108 0.555 0.555 weight 1.000 ! spec=3D Cnoesy, no=337, id=961, vol=7.260000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   21 and name  HB1) 3.096 1.198 1.198 weight 1.000 ! spec=3D Cnoesy, no=338, id=962, vol=6.810000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name  HB2) 3.201 1.281 1.281 weight 1.000 ! spec=3D Cnoesy, no=341, id=965, vol=1.998000e+00
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name  HB1) 3.342 1.396 1.396 weight 1.000 ! spec=3D Cnoesy, no=342, id=966, vol=1.290000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name HD11) 2.378 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=343, id=967, vol=7.910000e-01
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   39 and name HD11) 3.292 1.492 2.708 weight 1.000 ! spec=3D Cnoesy, no=344, id=968, vol=5.010000e-01
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   39 and name HG21) 3.082 1.188 1.188 weight 1.000 ! spec=3D Cnoesy, no=345, id=969, vol=5.960000e-01
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name HD11) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=346, id=970, vol=3.640000e-01
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   19 and name  HB1) 2.798 0.998 3.202 weight 1.000 ! spec=3D Cnoesy, no=347, id=971, vol=1.332000e+00
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.176 0.592 0.592 weight 1.000 ! spec=3D Cnoesy, no=348, id=972, vol=7.700000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   39 and name   HB) 3.554 1.579 1.579 weight 1.000 ! spec=3D Cnoesy, no=349, id=973, vol=2.015000e+00
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   41 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=3D Cnoesy, no=351, id=975, vol=2.650000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   19 and name  HB1) 3.494 1.526 1.526 weight 1.000 ! spec=3D Cnoesy, no=354, id=978, vol=1.120000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=3D Cnoesy, no=355, id=979, vol=3.680000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name  HB2) 3.853 1.856 1.856 weight 1.000 ! spec=3D Cnoesy, no=357, id=981, vol=6.950000e+06
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=3D Cnoesy, no=359, id=983, vol=5.860000e+08
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HB1) 2.181 0.595 0.595 weight 1.000 ! spec=3D Cnoesy, no=360, id=984, vol=3.302000e+00
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.439 0.744 0.744 weight 1.000 ! spec=3D Cnoesy, no=361, id=985, vol=2.047000e+00
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name  HB2) 2.519 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=363, id=987, vol=2.172000e+00
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name  HD2) 2.593 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=364, id=988, vol=1.744000e+00
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HG2) 2.170 0.589 0.589 weight 1.000 ! spec=3D Cnoesy, no=366, id=990, vol=2.323000e+00
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.580 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=367, id=991, vol=2.510000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB2) 2.024 0.224 3.976 weight 1.000 ! spec=3D Cnoesy, no=368, id=992, vol=2.051000e+00
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name  HB1) 3.651 1.851 2.349 weight 1.000 ! spec=3D Cnoesy, no=369, id=993, vol=1.407000e+00
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   25 and name  HB1) 3.069 1.269 2.931 weight 1.000 ! spec=3D Cnoesy, no=370, id=994, vol=1.732000e+00
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   26 and name HG21) 3.403 1.603 2.597 weight 1.000 ! spec=3D Cnoesy, no=372, id=996, vol=3.200000e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HA) 3.888 1.889 1.889 weight 1.000 ! spec=3D Cnoesy, no=374, id=998, vol=1.770000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HB) 2.547 0.747 3.453 weight 1.000 ! spec=3D Cnoesy, no=375, id=999, vol=2.058000e+00
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG21) 3.287 1.350 1.350 weight 1.000 ! spec=3D Cnoesy, no=377, id=1001, vol=9.150000e-01
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.016 0.508 0.508 weight 1.000 ! spec=3D Cnoesy, no=378, id=1002, vol=9.930000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.615 0.855 0.855 weight 1.000 ! spec=3D Cnoesy, no=379, id=1003, vol=1.985000e+00
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB1) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=380, id=1004, vol=1.741000e+00
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HD21) 2.244 0.444 3.756 weight 1.000 ! spec=3D Cnoesy, no=381, id=1005, vol=7.830000e-01
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HG) 2.710 0.918 0.918 weight 1.000 ! spec=3D Cnoesy, no=382, id=1006, vol=1.416000e+00
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HB1) 2.771 0.971 3.229 weight 1.000 ! spec=3D Cnoesy, no=383, id=1007, vol=1.882000e+00
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HD2) 3.578 1.600 1.600 weight 1.000 ! spec=3D Cnoesy, no=384, id=1008, vol=3.202000e+00
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HG2) 2.995 1.121 1.121 weight 1.000 ! spec=3D Cnoesy, no=385, id=1009, vol=1.614000e+00
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HB1) 2.259 0.638 0.638 weight 1.000 ! spec=3D Cnoesy, no=388, id=1012, vol=1.741000e+00
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name HD11) 2.627 0.863 0.863 weight 1.000 ! spec=3D Cnoesy, no=389, id=1013, vol=4.850000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HG) 2.883 1.039 1.039 weight 1.000 ! spec=3D Cnoesy, no=390, id=1014, vol=1.423000e+00
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   39 and name HD11) 3.490 1.522 1.522 weight 1.000 ! spec=3D Cnoesy, no=391, id=1015, vol=1.770000e+07
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name HD21) 2.528 0.728 3.472 weight 1.000 ! spec=3D Cnoesy, no=395, id=1019, vol=6.150000e+07
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HG) 2.836 1.006 1.006 weight 1.000 ! spec=3D Cnoesy, no=396, id=1020, vol=1.425000e+00
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   39 and name HD11) 3.684 1.696 1.696 weight 1.000 ! spec=3D Cnoesy, no=397, id=1021, vol=5.550000e+06
assign (segid "    " and resid   24 and name HD11) (segid "    " and resid   24 and name   HA) 3.338 1.393 1.393 weight 1.000 ! spec=3D Cnoesy, no=400, id=1024, vol=4.570000e+08
assign (segid "    " and resid   24 and name HD11) (segid "    " and resid   24 and name  HB1) 2.690 0.904 0.904 weight 1.000 ! spec=3D Cnoesy, no=402, id=1026, vol=1.736000e+00
assign (segid "    " and resid   24 and name HD11) (segid "    " and resid   24 and name   HG) 2.415 0.729 0.729 weight 1.000 ! spec=3D Cnoesy, no=403, id=1027, vol=1.417000e+00
assign (segid "    " and resid   24 and name HD11) (segid "    " and resid   28 and name HD11) 2.696 0.896 3.304 weight 1.000 ! spec=3D Cnoesy, no=404, id=1028, vol=5.920000e-01
assign (segid "    " and resid   24 and name HD11) (segid "    " and resid   39 and name HD11) 2.605 0.805 3.395 weight 1.000 ! spec=3D Cnoesy, no=405, id=1029, vol=5.060000e-01
assign (segid "    " and resid   24 and name HD21) (segid "    " and resid   14 and name HD11) 2.952 1.090 1.090 weight 1.000 ! spec=3D Cnoesy, no=406, id=1030, vol=3.670000e-01
assign (segid "    " and resid   24 and name HD21) (segid "    " and resid   20 and name   HA) 3.202 1.282 1.282 weight 1.000 ! spec=3D Cnoesy, no=407, id=1031, vol=5.670000e+06
assign (segid "    " and resid   24 and name HD21) (segid "    " and resid   24 and name  HB2) 2.583 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=409, id=1033, vol=1.986000e+00
assign (segid "    " and resid   24 and name HD21) (segid "    " and resid   24 and name   HG) 2.119 0.319 3.881 weight 1.000 ! spec=3D Cnoesy, no=410, id=1034, vol=1.427000e+00
assign (segid "    " and resid   24 and name HD21) (segid "    " and resid   25 and name   HA) 2.956 1.092 1.092 weight 1.000 ! spec=3D Cnoesy, no=411, id=1035, vol=1.040000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   22 and name   HA) 3.387 1.434 1.434 weight 1.000 ! spec=3D Cnoesy, no=413, id=1037, vol=4.016000e+00
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   24 and name   HG) 3.381 1.429 1.429 weight 1.000 ! spec=3D Cnoesy, no=414, id=1038, vol=1.300000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HB2) 2.718 0.923 0.923 weight 1.000 ! spec=3D Cnoesy, no=415, id=1039, vol=2.167000e+00
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HB1) 2.368 0.701 0.701 weight 1.000 ! spec=3D Cnoesy, no=416, id=1040, vol=1.749000e+00
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HG1) 2.583 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=417, id=1041, vol=6.260000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name  HB2) 2.792 0.975 0.975 weight 1.000 ! spec=3D Cnoesy, no=418, id=1042, vol=1.987000e+00
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name HD11) 2.955 1.091 1.091 weight 1.000 ! spec=3D Cnoesy, no=419, id=1043, vol=9.550000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   37 and name HG11) 2.422 0.734 0.734 weight 1.000 ! spec=3D Cnoesy, no=420, id=1044, vol=5.780000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HG1) 2.826 0.998 0.998 weight 1.000 ! spec=3D Cnoesy, no=424, id=1048, vol=1.229000e+00
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   26 and name HG11) 3.264 1.331 1.331 weight 1.000 ! spec=3D Cnoesy, no=425, id=1049, vol=2.040000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   29 and name HD11) 3.462 1.498 1.498 weight 1.000 ! spec=3D Cnoesy, no=426, id=1050, vol=1.640000e+07
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   22 and name   HA) 2.953 1.090 1.090 weight 1.000 ! spec=3D Cnoesy, no=429, id=1053, vol=1.910000e+07
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HG1) 2.775 0.963 0.963 weight 1.000 ! spec=3D Cnoesy, no=431, id=1055, vol=1.234000e+00
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   26 and name HG11) 3.582 1.604 1.604 weight 1.000 ! spec=3D Cnoesy, no=432, id=1056, vol=1.300000e+07
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   29 and name HD11) 3.456 1.493 1.493 weight 1.000 ! spec=3D Cnoesy, no=433, id=1057, vol=1.240000e+07
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   37 and name HG11) 3.337 1.392 1.392 weight 1.000 ! spec=3D Cnoesy, no=434, id=1058, vol=1.370000e+07
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   22 and name  HG2) 3.390 1.436 1.436 weight 1.000 ! spec=3D Cnoesy, no=437, id=1061, vol=2.317000e+00
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HA) 3.368 1.418 1.418 weight 1.000 ! spec=3D Cnoesy, no=438, id=1062, vol=7.780000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name  HB2) 2.627 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=439, id=1063, vol=2.164000e+00
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   37 and name HG11) 2.936 1.136 3.064 weight 1.000 ! spec=3D Cnoesy, no=444, id=1068, vol=7.630000e-01
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   39 and name HD11) 3.544 1.570 1.570 weight 1.000 ! spec=3D Cnoesy, no=445, id=1069, vol=5.550000e+06
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   25 and name  HB2) 3.526 1.554 1.554 weight 1.000 ! spec=3D Cnoesy, no=446, id=1070, vol=5.920000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name  HE2) 2.524 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=447, id=1071, vol=1.060000e+09
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   25 and name  HG1) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=448, id=1072, vol=2.970000e+07
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   29 and name HD11) 2.856 1.020 1.020 weight 1.000 ! spec=3D Cnoesy, no=449, id=1073, vol=6.150000e+08
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   29 and name HD21) 3.233 1.306 1.306 weight 1.000 ! spec=3D Cnoesy, no=450, id=1074, vol=5.970000e+08
assign (segid "    " and resid   25 and name  HE1) (segid "    " and resid   25 and name  HB2) 3.498 1.530 1.530 weight 1.000 ! spec=3D Cnoesy, no=451, id=1075, vol=4.930000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name  HE1) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=452, id=1076, vol=1.020000e+09
assign (segid "    " and resid   25 and name  HE1) (segid "    " and resid   25 and name  HG1) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=453, id=1077, vol=3.170000e+07
assign (segid "    " and resid   25 and name  HE1) (segid "    " and resid   29 and name HD11) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=454, id=1078, vol=3.770000e+08
assign (segid "    " and resid   25 and name  HE1) (segid "    " and resid   29 and name HD21) 3.167 1.254 1.254 weight 1.000 ! spec=3D Cnoesy, no=455, id=1079, vol=5.520000e+08
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   22 and name   HA) 3.968 1.969 1.969 weight 1.000 ! spec=3D Cnoesy, no=456, id=1080, vol=4.090000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HA) 2.972 1.104 1.104 weight 1.000 ! spec=3D Cnoesy, no=457, id=1081, vol=7.460000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HB2) 2.910 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=458, id=1082, vol=2.164000e+00
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name  HG2) 2.367 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=459, id=1083, vol=1.734000e+00
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HE2) 3.355 1.407 1.407 weight 1.000 ! spec=3D Cnoesy, no=460, id=1084, vol=3.160000e+08
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HE1) 3.253 1.323 1.323 weight 1.000 ! spec=3D Cnoesy, no=461, id=1085, vol=3.600000e+08
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   29 and name HD11) 2.644 0.874 0.874 weight 1.000 ! spec=3D Cnoesy, no=462, id=1086, vol=8.510000e-01
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   22 and name   HA) 3.813 1.818 1.818 weight 1.000 ! spec=3D Cnoesy, no=463, id=1087, vol=3.080000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD2) 2.324 0.675 0.675 weight 1.000 ! spec=3D Cnoesy, no=466, id=1090, vol=1.736000e+00
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HB) 2.610 0.851 0.851 weight 1.000 ! spec=3D Cnoesy, no=469, id=1093, vol=2.790000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   29 and name  HB2) 2.665 0.887 0.887 weight 1.000 ! spec=3D Cnoesy, no=472, id=1096, vol=2.900000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   29 and name  HB1) 2.945 1.084 1.084 weight 1.000 ! spec=3D Cnoesy, no=473, id=1097, vol=3.820000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   29 and name   HG) 3.225 1.300 1.300 weight 1.000 ! spec=3D Cnoesy, no=474, id=1098, vol=5.180000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   26 and name HG11) 2.584 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=479, id=1103, vol=1.650000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG11) 2.508 0.708 3.492 weight 1.000 ! spec=3D Cnoesy, no=480, id=1104, vol=2.240000e+07
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   25 and name  HD2) 2.923 1.123 3.077 weight 1.000 ! spec=3D Cnoesy, no=481, id=1105, vol=1.728000e+00
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name HG11) 2.171 0.371 3.829 weight 1.000 ! spec=3D Cnoesy, no=482, id=1106, vol=4.860000e+07
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name HG11) 2.076 0.276 3.924 weight 1.000 ! spec=3D Cnoesy, no=483, id=1107, vol=2.055000e+00
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name HG21) 2.288 0.488 3.712 weight 1.000 ! spec=3D Cnoesy, no=484, id=1108, vol=4.210000e+07
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name HG21) 1.908 0.455 0.455 weight 1.000 ! spec=3D Cnoesy, no=485, id=1109, vol=2.058000e+00
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   26 and name HG21) 3.069 1.177 1.177 weight 1.000 ! spec=3D Cnoesy, no=487, id=1111, vol=9.080000e-01
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 2.417 0.730 0.730 weight 1.000 ! spec=3D Cnoesy, no=488, id=1112, vol=1.920000e+00
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HD2) 2.610 0.810 3.390 weight 1.000 ! spec=3D Cnoesy, no=489, id=1113, vol=3.198000e+00
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HG2) 2.511 0.711 3.489 weight 1.000 ! spec=3D Cnoesy, no=490, id=1114, vol=1.608000e+00
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   30 and name  HG2) 3.047 1.161 1.161 weight 1.000 ! spec=3D Cnoesy, no=491, id=1115, vol=2.571000e+00
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.925 1.070 1.070 weight 1.000 ! spec=3D Cnoesy, no=492, id=1116, vol=5.350000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HG2) 2.333 0.680 0.680 weight 1.000 ! spec=3D Cnoesy, no=493, id=1117, vol=1.610000e+00
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=494, id=1118, vol=1.400000e+09
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name  HG2) 2.066 0.534 0.534 weight 1.000 ! spec=3D Cnoesy, no=496, id=1120, vol=1.380000e+08
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   67 and name  HB1) 2.870 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=497, id=1121, vol=1.190000e+09
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   68 and name HD21) 2.888 1.043 1.043 weight 1.000 ! spec=3D Cnoesy, no=498, id=1122, vol=5.770000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HG2) 2.214 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=501, id=1125, vol=1.893000e+00
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB1) 2.457 0.755 0.755 weight 1.000 ! spec=3D Cnoesy, no=503, id=1127, vol=1.154000e+00
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HD11) 2.998 1.198 3.002 weight 1.000 ! spec=3D Cnoesy, no=504, id=1128, vol=5.790000e-01
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HD21) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=505, id=1129, vol=6.930000e-01
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HG) 2.779 0.965 0.965 weight 1.000 ! spec=3D Cnoesy, no=506, id=1130, vol=1.765000e+00
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=508, id=1132, vol=2.630000e+07
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name  HB1) 2.176 0.592 0.592 weight 1.000 ! spec=3D Cnoesy, no=509, id=1133, vol=1.370000e+08
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   29 and name   HG) 3.432 1.472 1.472 weight 1.000 ! spec=3D Cnoesy, no=513, id=1137, vol=1.636000e+00
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name   HG) 2.750 0.946 0.946 weight 1.000 ! spec=3D Cnoesy, no=519, id=1143, vol=1.761000e+00
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   37 and name HG21) 2.562 0.821 0.821 weight 1.000 ! spec=3D Cnoesy, no=520, id=1144, vol=4.890000e+07
assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   24 and name HD21) 1.996 0.196 4.004 weight 1.000 ! spec=3D Cnoesy, no=522, id=1146, vol=7.770000e-01
assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   24 and name   HG) 2.651 0.879 0.879 weight 1.000 ! spec=3D Cnoesy, no=523, id=1147, vol=1.423000e+00
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name HD11) 2.490 0.775 0.775 weight 1.000 ! spec=3D Cnoesy, no=526, id=1150, vol=3.560000e+07
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name HD11) 2.533 0.802 0.802 weight 1.000 ! spec=3D Cnoesy, no=527, id=1151, vol=1.158000e+00
assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name   HG) 2.650 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=528, id=1152, vol=5.030000e+07
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name HD21) 2.434 0.634 3.566 weight 1.000 ! spec=3D Cnoesy, no=529, id=1153, vol=1.980000e+00
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name HD21) 2.117 0.560 0.560 weight 1.000 ! spec=3D Cnoesy, no=530, id=1154, vol=1.154000e+00
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   28 and name   HG) 2.233 0.623 0.623 weight 1.000 ! spec=3D Cnoesy, no=531, id=1155, vol=1.763000e+00
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   64 and name HG11) 2.585 0.835 0.835 weight 1.000 ! spec=3D Cnoesy, no=533, id=1157, vol=1.878000e+00
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   25 and name   HA) 3.683 1.695 1.695 weight 1.000 ! spec=3D Cnoesy, no=534, id=1158, vol=1.190000e+07
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name   HG) 2.462 0.758 0.758 weight 1.000 ! spec=3D Cnoesy, no=536, id=1160, vol=1.962000e+00
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   26 and name   HA) 3.598 1.618 1.618 weight 1.000 ! spec=3D Cnoesy, no=539, id=1163, vol=5.550000e+06
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HB2) 2.687 0.902 0.902 weight 1.000 ! spec=3D Cnoesy, no=540, id=1164, vol=1.861000e+00
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HB1) 2.526 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=541, id=1165, vol=1.535000e+00
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HG) 2.749 0.945 0.945 weight 1.000 ! spec=3D Cnoesy, no=543, id=1167, vol=1.656000e+00
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   34 and name   HB) 3.020 1.140 1.140 weight 1.000 ! spec=3D Cnoesy, no=544, id=1168, vol=1.480000e+07
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   34 and name HG11) 2.382 0.582 3.618 weight 1.000 ! spec=3D Cnoesy, no=545, id=1169, vol=6.790000e-01
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HB1) 2.101 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=548, id=1172, vol=1.533000e+00
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HG) 2.525 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=550, id=1174, vol=1.660000e+00
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HG) 2.461 0.757 0.757 weight 1.000 ! spec=3D Cnoesy, no=555, id=1179, vol=1.633000e+00
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   29 and name HD11) 2.710 0.910 3.290 weight 1.000 ! spec=3D Cnoesy, no=556, id=1180, vol=1.740000e+00
assign (segid "    " and resid   29 and name HD11) (segid "    " and resid   25 and name  HG1) 2.639 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=559, id=1183, vol=1.216000e+00
assign (segid "    " and resid   29 and name HD11) (segid "    " and resid   26 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=3D Cnoesy, no=560, id=1184, vol=1.820000e+07
assign (segid "    " and resid   29 and name HD11) (segid "    " and resid   29 and name   HA) 3.273 1.339 1.339 weight 1.000 ! spec=3D Cnoesy, no=561, id=1185, vol=3.880000e+08
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name HD11) 2.449 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=562, id=1186, vol=1.854000e+00
assign (segid "    " and resid   29 and name HD11) (segid "    " and resid   29 and name  HB1) 2.520 0.794 0.794 weight 1.000 ! spec=3D Cnoesy, no=563, id=1187, vol=1.533000e+00
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HD21) 2.095 0.548 0.548 weight 1.000 ! spec=3D Cnoesy, no=564, id=1188, vol=9.400000e+07
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   29 and name  HB2) 2.474 0.674 3.526 weight 1.000 ! spec=3D Cnoesy, no=565, id=1189, vol=1.857000e+00
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name HD21) 2.288 0.488 3.712 weight 1.000 ! spec=3D Cnoesy, no=566, id=1190, vol=1.533000e+00
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   29 and name   HG) 2.186 0.597 0.597 weight 1.000 ! spec=3D Cnoesy, no=567, id=1191, vol=1.653000e+00
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   36 and name   HA) 2.495 0.778 0.778 weight 1.000 ! spec=3D Cnoesy, no=568, id=1192, vol=4.550000e+08
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   36 and name  HG2) 3.350 1.550 2.650 weight 1.000 ! spec=3D Cnoesy, no=569, id=1193, vol=2.172000e+00
assign (segid "    " and resid   29 and name   HG) (segid "    " and resid   25 and name  HG1) 3.167 1.254 1.254 weight 1.000 ! spec=3D Cnoesy, no=570, id=1194, vol=1.231000e+00
assign (segid "    " and resid   29 and name   HG) (segid "    " and resid   28 and name  HB1) 3.250 1.450 2.750 weight 1.000 ! spec=3D Cnoesy, no=572, id=1196, vol=1.144000e+00
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB2) 2.352 0.691 0.691 weight 1.000 ! spec=3D Cnoesy, no=575, id=1199, vol=2.157000e+00
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HG2) 2.777 0.964 0.964 weight 1.000 ! spec=3D Cnoesy, no=576, id=1200, vol=2.571000e+00
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HG1) 2.440 0.744 0.744 weight 1.000 ! spec=3D Cnoesy, no=577, id=1201, vol=2.265000e+00
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=3D Cnoesy, no=580, id=1204, vol=4.030000e+07
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HG2) 2.690 0.904 0.904 weight 1.000 ! spec=3D Cnoesy, no=581, id=1205, vol=2.566000e+00
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   30 and name  HG2) 3.202 1.402 2.798 weight 1.000 ! spec=3D Cnoesy, no=582, id=1206, vol=1.220000e+07
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG2) 2.456 0.754 0.754 weight 1.000 ! spec=3D Cnoesy, no=585, id=1209, vol=2.146000e+00
assign (segid "    " and resid   30 and name  HG1) (segid "    " and resid   27 and name   HA) 3.273 1.339 1.339 weight 1.000 ! spec=3D Cnoesy, no=587, id=1211, vol=7.440000e+08
assign (segid "    " and resid   30 and name  HG2) (segid "    " and resid   30 and name  HG1) 1.917 0.459 0.459 weight 1.000 ! spec=3D Cnoesy, no=589, id=1213, vol=2.567000e+00
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name   HB) 2.329 0.678 0.678 weight 1.000 ! spec=3D Cnoesy, no=590, id=1214, vol=4.255000e+00
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   32 and name  HB2) 3.348 1.401 1.401 weight 1.000 ! spec=3D Cnoesy, no=592, id=1216, vol=2.210000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   32 and name  HB1) 3.549 1.574 1.574 weight 1.000 ! spec=3D Cnoesy, no=593, id=1217, vol=2.180000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   34 and name HG11) 2.885 1.085 3.115 weight 1.000 ! spec=3D Cnoesy, no=594, id=1218, vol=6.870000e-01
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   34 and name   HB) 3.074 1.181 1.181 weight 1.000 ! spec=3D Cnoesy, no=597, id=1221, vol=2.332000e+00
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG21) 2.273 0.473 3.727 weight 1.000 ! spec=3D Cnoesy, no=599, id=1223, vol=4.760000e+07
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG21) 2.248 0.632 0.632 weight 1.000 ! spec=3D Cnoesy, no=600, id=1224, vol=4.960000e+07
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   34 and name   HB) 3.314 1.514 2.686 weight 1.000 ! spec=3D Cnoesy, no=601, id=1225, vol=1.560000e+07
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   60 and name   HA) 2.964 1.098 1.098 weight 1.000 ! spec=3D Cnoesy, no=602, id=1226, vol=8.420000e+06
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   60 and name   HB) 2.982 1.182 3.018 weight 1.000 ! spec=3D Cnoesy, no=603, id=1227, vol=1.980000e+00
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   63 and name  HB1) 2.248 0.632 0.632 weight 1.000 ! spec=3D Cnoesy, no=604, id=1228, vol=1.519000e+00
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   64 and name   HA) 3.349 1.402 1.402 weight 1.000 ! spec=3D Cnoesy, no=605, id=1229, vol=3.750000e+06
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   64 and name HD11) 2.178 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=606, id=1230, vol=6.930000e-01
assign (segid "    " and resid   31 and name HG21) (segid "    " and resid   64 and name HG11) 2.819 0.993 0.993 weight 1.000 ! spec=3D Cnoesy, no=607, id=1231, vol=1.874000e+00
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB2) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=608, id=1232, vol=1.991000e+00
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB1) 2.524 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=609, id=1233, vol=1.898000e+00
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name  HA2) 2.928 1.128 3.072 weight 1.000 ! spec=3D Cnoesy, no=611, id=1235, vol=4.203000e+00
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   32 and name  HG2) 2.024 0.512 0.512 weight 1.000 ! spec=3D Cnoesy, no=615, id=1239, vol=2.224000e+00
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HG2) 2.489 0.774 0.774 weight 1.000 ! spec=3D Cnoesy, no=616, id=1240, vol=2.840000e+07
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   32 and name  HB2) 1.868 0.068 4.132 weight 1.000 ! spec=3D Cnoesy, no=617, id=1241, vol=1.996000e+00
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   51 and name  HB2) 3.212 1.290 1.290 weight 1.000 ! spec=3D Cnoesy, no=620, id=1244, vol=2.894000e+00
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   51 and name  HB1) 3.453 1.491 1.491 weight 1.000 ! spec=3D Cnoesy, no=621, id=1245, vol=2.372000e+00
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   54 and name   HB) 3.207 1.407 2.793 weight 1.000 ! spec=3D Cnoesy, no=622, id=1246, vol=2.660000e+07
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   54 and name HG11) 2.731 0.932 0.932 weight 1.000 ! spec=3D Cnoesy, no=623, id=1247, vol=8.840000e-01
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name  HA1) 2.997 1.197 3.003 weight 1.000 ! spec=3D Cnoesy, no=625, id=1249, vol=3.964000e+00
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   32 and name  HG2) 3.628 1.646 1.646 weight 1.000 ! spec=3D Cnoesy, no=626, id=1250, vol=5.170000e+06
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   33 and name  HA1) 1.994 0.497 0.497 weight 1.000 ! spec=3D Cnoesy, no=627, id=1251, vol=1.880000e+08
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   51 and name  HB2) 3.092 1.195 1.195 weight 1.000 ! spec=3D Cnoesy, no=628, id=1252, vol=1.810000e+07
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   51 and name  HB1) 3.240 1.312 1.312 weight 1.000 ! spec=3D Cnoesy, no=629, id=1253, vol=8.980000e+06
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   54 and name   HB) 3.176 1.261 1.261 weight 1.000 ! spec=3D Cnoesy, no=630, id=1254, vol=1.280000e+07
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   54 and name HG11) 2.745 0.942 0.942 weight 1.000 ! spec=3D Cnoesy, no=631, id=1255, vol=8.310000e+07
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   55 and name HG21) 2.863 1.063 3.137 weight 1.000 ! spec=3D Cnoesy, no=632, id=1256, vol=7.980000e+07
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   35 and name  HG2) 3.118 1.215 1.215 weight 1.000 ! spec=3D Cnoesy, no=635, id=1259, vol=4.350000e+08
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   50 and name   HA) 2.624 0.861 0.861 weight 1.000 ! spec=3D Cnoesy, no=637, id=1261, vol=3.640000e+07
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   50 and name   HB) 3.405 1.449 1.449 weight 1.000 ! spec=3D Cnoesy, no=638, id=1262, vol=6.670000e+06
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   29 and name HD21) 3.021 1.141 1.141 weight 1.000 ! spec=3D Cnoesy, no=640, id=1264, vol=2.740000e+08
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name   HB) 2.776 0.963 0.963 weight 1.000 ! spec=3D Cnoesy, no=643, id=1267, vol=3.800000e+07
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   34 and name HG11) 2.376 0.706 0.706 weight 1.000 ! spec=3D Cnoesy, no=645, id=1269, vol=3.940000e+07
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name HG11) 2.013 0.507 0.507 weight 1.000 ! spec=3D Cnoesy, no=646, id=1270, vol=1.810000e+08
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   34 and name HG11) 2.057 0.529 0.529 weight 1.000 ! spec=3D Cnoesy, no=647, id=1271, vol=1.120000e+08
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB2) 2.416 0.730 0.730 weight 1.000 ! spec=3D Cnoesy, no=648, id=1272, vol=1.851000e+00
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HD1) 2.651 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=649, id=1273, vol=1.577000e+00
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HG2) 2.382 0.709 0.709 weight 1.000 ! spec=3D Cnoesy, no=650, id=1274, vol=1.417000e+00
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   34 and name   HA) 4.108 2.110 2.110 weight 1.000 ! spec=3D Cnoesy, no=651, id=1275, vol=3.700000e+06
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HB1) 2.021 0.511 0.511 weight 1.000 ! spec=3D Cnoesy, no=653, id=1277, vol=1.428000e+00
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HD1) 2.846 1.013 1.013 weight 1.000 ! spec=3D Cnoesy, no=654, id=1278, vol=1.575000e+00
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   34 and name   HA) 3.780 1.786 1.786 weight 1.000 ! spec=3D Cnoesy, no=657, id=1281, vol=8.150000e+06
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=3D Cnoesy, no=658, id=1282, vol=2.880000e+07
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name  HD2) 2.712 0.919 0.919 weight 1.000 ! spec=3D Cnoesy, no=660, id=1284, vol=1.609000e+00
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name  HE2) 3.890 1.892 1.892 weight 1.000 ! spec=3D Cnoesy, no=661, id=1285, vol=2.390000e+07
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name  HE1) 3.880 1.882 1.882 weight 1.000 ! spec=3D Cnoesy, no=662, id=1286, vol=1.900000e+07
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   50 and name   HA) 3.998 1.998 1.998 weight 1.000 ! spec=3D Cnoesy, no=663, id=1287, vol=5.440000e+06
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   35 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=664, id=1288, vol=5.720000e+07
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   35 and name  HG2) 2.213 0.612 0.612 weight 1.000 ! spec=3D Cnoesy, no=667, id=1291, vol=1.404000e+00
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   51 and name  HB1) 3.600 1.620 1.620 weight 1.000 ! spec=3D Cnoesy, no=668, id=1292, vol=4.230000e+07
assign (segid "    " and resid   35 and name  HD1) (segid "    " and resid   35 and name  HE2) 3.119 1.216 1.216 weight 1.000 ! spec=3D Cnoesy, no=670, id=1294, vol=5.850000e+08
assign (segid "    " and resid   35 and name  HD1) (segid "    " and resid   35 and name  HG2) 2.242 0.628 0.628 weight 1.000 ! spec=3D Cnoesy, no=671, id=1295, vol=1.405000e+00
assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name   HA) 3.552 1.577 1.577 weight 1.000 ! spec=3D Cnoesy, no=673, id=1297, vol=7.600000e+06
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HE2) 3.456 1.493 1.493 weight 1.000 ! spec=3D Cnoesy, no=674, id=1298, vol=6.470000e+06
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   35 and name  HE2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Cnoesy, no=675, id=1299, vol=2.680000e+07
assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HG2) 3.019 1.139 1.139 weight 1.000 ! spec=3D Cnoesy, no=677, id=1301, vol=1.460000e+07
assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   35 and name   HA) 3.488 1.520 1.520 weight 1.000 ! spec=3D Cnoesy, no=678, id=1302, vol=5.850000e+06
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HE1) 3.290 1.353 1.353 weight 1.000 ! spec=3D Cnoesy, no=679, id=1303, vol=1.120000e+07
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   35 and name  HE1) 2.592 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=680, id=1304, vol=1.140000e+09
assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HE1) 1.568 0.307 0.307 weight 1.000 ! spec=3D Cnoesy, no=681, id=1305, vol=2.979000e+00
assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   35 and name  HG2) 2.857 1.020 1.020 weight 1.000 ! spec=3D Cnoesy, no=682, id=1306, vol=1.010000e+09
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.646 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=685, id=1309, vol=1.849000e+00
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   51 and name  HB2) 3.477 1.511 1.511 weight 1.000 ! spec=3D Cnoesy, no=688, id=1312, vol=6.890000e+07
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   34 and name   HA) 3.801 1.806 1.806 weight 1.000 ! spec=3D Cnoesy, no=690, id=1314, vol=5.350000e+06
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name   HA) 3.031 1.148 1.148 weight 1.000 ! spec=3D Cnoesy, no=691, id=1315, vol=1.400000e+08
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 2.630 0.865 0.865 weight 1.000 ! spec=3D Cnoesy, no=692, id=1316, vol=1.847000e+00
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HD2) 2.298 0.660 0.660 weight 1.000 ! spec=3D Cnoesy, no=693, id=1317, vol=1.589000e+00
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   50 and name   HA) 3.754 1.761 1.761 weight 1.000 ! spec=3D Cnoesy, no=694, id=1318, vol=4.290000e+07
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   51 and name  HB2) 3.491 1.524 1.524 weight 1.000 ! spec=3D Cnoesy, no=695, id=1319, vol=1.100000e+08
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   51 and name  HB1) 3.612 1.631 1.631 weight 1.000 ! spec=3D Cnoesy, no=696, id=1320, vol=3.030000e+07
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=3D Cnoesy, no=698, id=1322, vol=1.963000e+00
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB1) 2.657 0.882 0.882 weight 1.000 ! spec=3D Cnoesy, no=699, id=1323, vol=1.859000e+00
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HG2) 2.595 0.842 0.842 weight 1.000 ! spec=3D Cnoesy, no=700, id=1324, vol=2.173000e+00
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HB1) 2.005 0.502 0.502 weight 1.000 ! spec=3D Cnoesy, no=702, id=1326, vol=1.863000e+00
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HG2) 2.370 0.702 0.702 weight 1.000 ! spec=3D Cnoesy, no=703, id=1327, vol=2.164000e+00
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   49 and name  HB2) 2.862 1.062 3.138 weight 1.000 ! spec=3D Cnoesy, no=704, id=1328, vol=1.608000e+00
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name  HG2) 2.321 0.673 0.673 weight 1.000 ! spec=3D Cnoesy, no=707, id=1331, vol=2.165000e+00
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   35 and name  HB1) 2.975 1.175 3.025 weight 1.000 ! spec=3D Cnoesy, no=709, id=1333, vol=1.437000e+00
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   38 and name HD11) 3.204 1.283 1.283 weight 1.000 ! spec=3D Cnoesy, no=712, id=1336, vol=1.790000e+07
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   49 and name  HB2) 3.021 1.141 1.141 weight 1.000 ! spec=3D Cnoesy, no=713, id=1337, vol=1.612000e+00
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   25 and name   HA) 3.873 1.875 1.875 weight 1.000 ! spec=3D Cnoesy, no=715, id=1339, vol=5.640000e+06
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   25 and name  HE2) 3.577 1.599 1.599 weight 1.000 ! spec=3D Cnoesy, no=716, id=1340, vol=1.300000e+07
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   25 and name  HG2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Cnoesy, no=717, id=1341, vol=4.850000e+07
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   36 and name   HA) 3.665 1.679 1.679 weight 1.000 ! spec=3D Cnoesy, no=718, id=1342, vol=7.650000e+07
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   37 and name   HA) 3.149 1.239 1.239 weight 1.000 ! spec=3D Cnoesy, no=719, id=1343, vol=3.060000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   37 and name HG11) 3.404 1.449 1.449 weight 1.000 ! spec=3D Cnoesy, no=722, id=1346, vol=2.155000e+00
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   28 and name  HB2) 2.620 0.820 3.380 weight 1.000 ! spec=3D Cnoesy, no=723, id=1347, vol=1.983000e+00
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=3D Cnoesy, no=724, id=1348, vol=3.890000e+07
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   37 and name HG11) 2.145 0.575 0.575 weight 1.000 ! spec=3D Cnoesy, no=725, id=1349, vol=1.752000e+00
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   48 and name   HA) 3.337 1.392 1.392 weight 1.000 ! spec=3D Cnoesy, no=726, id=1350, vol=4.440000e+06
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   25 and name   HA) 3.160 1.248 1.248 weight 1.000 ! spec=3D Cnoesy, no=727, id=1351, vol=8.150000e+08
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   37 and name HG21) 2.371 0.703 0.703 weight 1.000 ! spec=3D Cnoesy, no=728, id=1352, vol=1.979000e+00
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HA) 2.410 0.726 0.726 weight 1.000 ! spec=3D Cnoesy, no=729, id=1353, vol=4.060000e+08
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HB) 2.154 0.354 3.846 weight 1.000 ! spec=3D Cnoesy, no=730, id=1354, vol=1.756000e+00
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   48 and name   HA) 2.907 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=731, id=1355, vol=1.550000e+08
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name   HA) 2.843 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=732, id=1356, vol=2.940000e+08
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HB1) 2.031 0.516 0.516 weight 1.000 ! spec=3D Cnoesy, no=733, id=1357, vol=2.070000e+09
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name HD11) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=734, id=1358, vol=6.110000e+08
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   47 and name  HB2) 3.130 1.225 1.225 weight 1.000 ! spec=3D Cnoesy, no=736, id=1360, vol=1.550000e+08
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   38 and name   HA) 2.815 0.991 0.991 weight 1.000 ! spec=3D Cnoesy, no=737, id=1361, vol=2.690000e+08
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   47 and name  HB2) 3.072 1.180 1.180 weight 1.000 ! spec=3D Cnoesy, no=739, id=1363, vol=1.560000e+08
assign (segid "    " and resid   38 and name HD11) (segid "    " and resid   38 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=3D Cnoesy, no=740, id=1364, vol=4.720000e+08
assign (segid "    " and resid   38 and name HD11) (segid "    " and resid   38 and name  HB1) 2.500 0.781 0.781 weight 1.000 ! spec=3D Cnoesy, no=741, id=1365, vol=1.620000e+00
assign (segid "    " and resid   38 and name HD11) (segid "    " and resid   38 and name   HG) 2.570 0.825 0.825 weight 1.000 ! spec=3D Cnoesy, no=742, id=1366, vol=1.472000e+00
assign (segid "    " and resid   38 and name HD11) (segid "    " and resid   47 and name  HB2) 3.197 1.278 1.278 weight 1.000 ! spec=3D Cnoesy, no=743, id=1367, vol=9.720000e+06
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=3D Cnoesy, no=744, id=1368, vol=5.590000e+08
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB2) 2.562 0.821 0.821 weight 1.000 ! spec=3D Cnoesy, no=745, id=1369, vol=1.695000e+00
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB1) 2.626 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=746, id=1370, vol=1.612000e+00
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name   HG) 2.426 0.736 0.736 weight 1.000 ! spec=3D Cnoesy, no=747, id=1371, vol=1.473000e+00
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   47 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=748, id=1372, vol=1.670000e+07
assign (segid "    " and resid   38 and name   HG) (segid "    " and resid   38 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=3D Cnoesy, no=749, id=1373, vol=2.060000e+07
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name   HG) 2.300 0.662 0.662 weight 1.000 ! spec=3D Cnoesy, no=750, id=1374, vol=1.690000e+00
assign (segid "    " and resid   38 and name   HG) (segid "    " and resid   47 and name  HB2) 3.523 1.552 1.552 weight 1.000 ! spec=3D Cnoesy, no=751, id=1375, vol=1.080000e+07
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name   HB) 2.995 1.121 1.121 weight 1.000 ! spec=3D Cnoesy, no=752, id=1376, vol=2.014000e+00
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name HG11) 3.129 1.224 1.224 weight 1.000 ! spec=3D Cnoesy, no=755, id=1379, vol=1.209000e+00
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   46 and name   HA) 2.554 0.815 0.815 weight 1.000 ! spec=3D Cnoesy, no=758, id=1382, vol=5.088000e+00
assign (segid "    " and resid   39 and name   HB) (segid "    " and resid   38 and name   HA) 3.459 1.495 1.495 weight 1.000 ! spec=3D Cnoesy, no=760, id=1384, vol=1.140000e+07
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   22 and name   HA) 3.759 1.766 1.766 weight 1.000 ! spec=3D Cnoesy, no=765, id=1389, vol=2.590000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   39 and name HD11) 2.821 0.995 0.995 weight 1.000 ! spec=3D Cnoesy, no=766, id=1390, vol=1.340000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   39 and name HD11) 3.339 1.394 1.394 weight 1.000 ! spec=3D Cnoesy, no=767, id=1391, vol=5.840000e+06
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   39 and name HD11) 2.508 0.786 0.786 weight 1.000 ! spec=3D Cnoesy, no=768, id=1392, vol=2.910000e+07
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   37 and name HG11) 2.069 0.535 0.535 weight 1.000 ! spec=3D Cnoesy, no=769, id=1393, vol=7.720000e-01
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name HD11) 2.360 0.696 0.696 weight 1.000 ! spec=3D Cnoesy, no=770, id=1394, vol=3.910000e+07
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   39 and name   HB) 2.539 0.806 0.806 weight 1.000 ! spec=3D Cnoesy, no=771, id=1395, vol=2.760000e+07
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   39 and name HG12) 2.399 0.719 0.719 weight 1.000 ! spec=3D Cnoesy, no=772, id=1396, vol=1.190000e+08
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   39 and name HG11) 2.423 0.734 0.734 weight 1.000 ! spec=3D Cnoesy, no=773, id=1397, vol=1.280000e+08
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   46 and name   HA) 2.888 1.043 1.043 weight 1.000 ! spec=3D Cnoesy, no=774, id=1398, vol=1.120000e+07
assign (segid "    " and resid   39 and name HD11) (segid "    " and resid   46 and name  HB1) 2.238 0.438 3.762 weight 1.000 ! spec=3D Cnoesy, no=775, id=1399, vol=9.110000e-01
assign (segid "    " and resid   39 and name HG12) (segid "    " and resid   38 and name   HA) 3.791 1.991 2.209 weight 1.000 ! spec=3D Cnoesy, no=776, id=1400, vol=1.600000e+07
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name HG12) 3.103 1.203 1.203 weight 1.000 ! spec=3D Cnoesy, no=777, id=1401, vol=5.180000e+08
assign (segid "    " and resid   39 and name   HB) (segid "    " and resid   39 and name HG12) 2.600 0.845 0.845 weight 1.000 ! spec=3D Cnoesy, no=778, id=1402, vol=2.004000e+00
assign (segid "    " and resid   39 and name HG11) (segid "    " and resid   25 and name  HB2) 3.573 1.596 1.596 weight 1.000 ! spec=3D Cnoesy, no=780, id=1404, vol=6.780000e+06
assign (segid "    " and resid   39 and name HG11) (segid "    " and resid   38 and name   HA) 3.948 1.948 1.948 weight 1.000 ! spec=3D Cnoesy, no=781, id=1405, vol=9.560000e+06
assign (segid "    " and resid   39 and name   HB) (segid "    " and resid   39 and name HG11) 2.694 0.907 0.907 weight 1.000 ! spec=3D Cnoesy, no=782, id=1406, vol=2.009000e+00
assign (segid "    " and resid   39 and name HG12) (segid "    " and resid   39 and name HG11) 2.003 0.501 0.501 weight 1.000 ! spec=3D Cnoesy, no=784, id=1408, vol=1.335000e+00
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   39 and name HG21) 2.210 0.611 0.611 weight 1.000 ! spec=3D Cnoesy, no=785, id=1409, vol=9.160000e-01
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name HG21) 2.306 0.665 0.665 weight 1.000 ! spec=3D Cnoesy, no=786, id=1410, vol=4.450000e+07
assign (segid "    " and resid   39 and name   HB) (segid "    " and resid   39 and name HG21) 2.142 0.342 3.858 weight 1.000 ! spec=3D Cnoesy, no=787, id=1411, vol=2.009000e+00
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   39 and name HG12) 2.435 0.741 0.741 weight 1.000 ! spec=3D Cnoesy, no=788, id=1412, vol=1.343000e+00
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   39 and name HG11) 2.616 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=789, id=1413, vol=1.201000e+00
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   40 and name   HA) 3.160 1.248 1.248 weight 1.000 ! spec=3D Cnoesy, no=790, id=1414, vol=5.770000e+06
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   41 and name   HA) 2.817 0.992 0.992 weight 1.000 ! spec=3D Cnoesy, no=791, id=1415, vol=1.380000e+07
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   41 and name  HB2) 2.898 1.098 3.102 weight 1.000 ! spec=3D Cnoesy, no=792, id=1416, vol=2.098000e+00
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   41 and name  HG2) 2.668 0.890 0.890 weight 1.000 ! spec=3D Cnoesy, no=793, id=1417, vol=1.640000e+07
assign (segid "    " and resid   39 and name HG21) (segid "    " and resid   46 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=3D Cnoesy, no=794, id=1418, vol=4.360000e+06
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name  HB1) 3.060 1.260 2.940 weight 1.000 ! spec=3D Cnoesy, no=796, id=1420, vol=1.140000e+07
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   39 and name HG21) 3.326 1.382 1.382 weight 1.000 ! spec=3D Cnoesy, no=797, id=1421, vol=5.960000e-01
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name  HB1) 2.090 0.290 3.910 weight 1.000 ! spec=3D Cnoesy, no=798, id=1422, vol=5.990000e+07
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   43 and name  HB1) 2.550 0.813 0.813 weight 1.000 ! spec=3D Cnoesy, no=799, id=1423, vol=1.991000e+00
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   43 and name  HG2) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=800, id=1424, vol=2.311000e+00
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   43 and name  HG1) 2.662 0.862 3.338 weight 1.000 ! spec=3D Cnoesy, no=801, id=1425, vol=2.183000e+00
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   44 and name   HA) 2.956 1.156 3.044 weight 1.000 ! spec=3D Cnoesy, no=802, id=1426, vol=1.150000e+07
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   46 and name   HA) 3.305 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=804, id=1428, vol=6.990000e+06
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   14 and name HD11) 3.699 1.710 1.710 weight 1.000 ! spec=3D Cnoesy, no=805, id=1429, vol=3.740000e-01
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   40 and name   HA) 3.424 1.465 1.465 weight 1.000 ! spec=3D Cnoesy, no=808, id=1432, vol=4.838000e+00
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name  HB2) 2.173 0.373 3.827 weight 1.000 ! spec=3D Cnoesy, no=809, id=1433, vol=2.107000e+00
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name  HG2) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=810, id=1434, vol=3.640000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   41 and name  HB2) 3.109 1.208 1.208 weight 1.000 ! spec=3D Cnoesy, no=811, id=1435, vol=9.230000e-01
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   40 and name   HA) 3.353 1.405 1.405 weight 1.000 ! spec=3D Cnoesy, no=813, id=1437, vol=1.030000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   41 and name  HG2) 3.003 1.127 1.127 weight 1.000 ! spec=3D Cnoesy, no=816, id=1440, vol=1.000000e+07
assign (segid "    " and resid   41 and name  HG2) (segid "    " and resid   40 and name   HA) 3.370 1.570 2.630 weight 1.000 ! spec=3D Cnoesy, no=818, id=1442, vol=4.570000e+06
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HG2) 1.699 -0.101 4.301 weight 1.000 ! spec=3D Cnoesy, no=820, id=1444, vol=2.107000e+00
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB2) 2.127 0.565 0.565 weight 1.000 ! spec=3D Cnoesy, no=821, id=1445, vol=2.094000e+00
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HG1) 2.613 0.853 0.853 weight 1.000 ! spec=3D Cnoesy, no=822, id=1446, vol=2.355000e+00
assign (segid "    " and resid   42 and name  HB2) (segid "    " and resid   42 and name  HG1) 1.900 0.451 0.451 weight 1.000 ! spec=3D Cnoesy, no=824, id=1448, vol=2.358000e+00
assign (segid "    " and resid   42 and name  HG2) (segid "    " and resid   42 and name   HA) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=825, id=1449, vol=7.270000e+08
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HB2) 2.409 0.725 0.725 weight 1.000 ! spec=3D Cnoesy, no=827, id=1451, vol=2.170000e+00
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HB1) 2.692 0.906 0.906 weight 1.000 ! spec=3D Cnoesy, no=828, id=1452, vol=1.994000e+00
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HG2) 2.581 0.833 0.833 weight 1.000 ! spec=3D Cnoesy, no=829, id=1453, vol=2.303000e+00
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   40 and name  HB1) 3.127 1.222 1.222 weight 1.000 ! spec=3D Cnoesy, no=830, id=1454, vol=2.050000e+07
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name  HG2) 2.411 0.726 0.726 weight 1.000 ! spec=3D Cnoesy, no=833, id=1457, vol=2.288000e+00
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name  HB1) 2.040 0.520 0.520 weight 1.000 ! spec=3D Cnoesy, no=837, id=1461, vol=2.172000e+00
assign (segid "    " and resid   43 and name  HB1) (segid "    " and resid   43 and name  HG2) 2.466 0.760 0.760 weight 1.000 ! spec=3D Cnoesy, no=838, id=1462, vol=2.288000e+00
assign (segid "    " and resid   43 and name  HG2) (segid "    " and resid   45 and name  HB2) 3.497 1.529 1.529 weight 1.000 ! spec=3D Cnoesy, no=842, id=1466, vol=4.250000e+07
assign (segid "    " and resid   43 and name  HG1) (segid "    " and resid   43 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=3D Cnoesy, no=844, id=1468, vol=4.900000e+08
assign (segid "    " and resid   43 and name  HG1) (segid "    " and resid   45 and name  HB2) 3.506 1.536 1.536 weight 1.000 ! spec=3D Cnoesy, no=845, id=1469, vol=3.840000e+07
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   20 and name  HB1) 3.052 1.164 1.164 weight 1.000 ! spec=3D Cnoesy, no=847, id=1471, vol=9.170000e-01
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name  HB2) 2.502 0.782 0.782 weight 1.000 ! spec=3D Cnoesy, no=848, id=1472, vol=3.883000e+00
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name  HB1) 2.572 0.827 0.827 weight 1.000 ! spec=3D Cnoesy, no=851, id=1475, vol=3.150000e+08
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name  HB1) 2.045 0.523 0.523 weight 1.000 ! spec=3D Cnoesy, no=852, id=1476, vol=1.970000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   45 and name   HA) 2.515 0.791 0.791 weight 1.000 ! spec=3D Cnoesy, no=853, id=1477, vol=4.305000e+00
assign (segid "    " and resid   14 and name HG12) (segid "    " and resid   45 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=3D Cnoesy, no=855, id=1479, vol=1.374000e+00
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   46 and name  HB1) 2.863 1.063 3.137 weight 1.000 ! spec=3D Cnoesy, no=857, id=1481, vol=9.040000e-01
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   45 and name  HB2) 2.920 1.066 1.066 weight 1.000 ! spec=3D Cnoesy, no=858, id=1482, vol=1.940000e+07
assign (segid "    " and resid   11 and name  HG1) (segid "    " and resid   45 and name  HB2) 2.959 1.094 1.094 weight 1.000 ! spec=3D Cnoesy, no=859, id=1483, vol=1.770000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   45 and name  HB2) 2.913 1.113 3.087 weight 1.000 ! spec=3D Cnoesy, no=860, id=1484, vol=1.650000e+07
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   45 and name  HB2) 2.729 0.931 0.931 weight 1.000 ! spec=3D Cnoesy, no=861, id=1485, vol=2.170000e+07
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   45 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=862, id=1486, vol=2.150000e+07
assign (segid "    " and resid   43 and name  HB1) (segid "    " and resid   45 and name  HB2) 2.970 1.103 1.103 weight 1.000 ! spec=3D Cnoesy, no=863, id=1487, vol=1.210000e+07
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name  HB2) 2.401 0.720 0.720 weight 1.000 ! spec=3D Cnoesy, no=864, id=1488, vol=4.720000e+07
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   47 and name  HB2) 3.640 1.657 1.657 weight 1.000 ! spec=3D Cnoesy, no=869, id=1493, vol=2.740000e+07
assign (segid "    " and resid   12 and name   HB) (segid "    " and resid   46 and name  HB1) 2.551 0.751 3.449 weight 1.000 ! spec=3D Cnoesy, no=870, id=1494, vol=1.661000e+00
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   14 and name HG12) 2.626 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=872, id=1496, vol=1.394000e+00
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   46 and name  HB1) 2.743 0.940 0.940 weight 1.000 ! spec=3D Cnoesy, no=873, id=1497, vol=9.900000e+08
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name  HB1) 2.294 0.658 0.658 weight 1.000 ! spec=3D Cnoesy, no=875, id=1499, vol=5.010000e+07
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB2) 2.874 1.032 1.032 weight 1.000 ! spec=3D Cnoesy, no=876, id=1500, vol=2.827000e+00
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 2.772 0.961 0.961 weight 1.000 ! spec=3D Cnoesy, no=877, id=1501, vol=2.757000e+00
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HD2) 3.117 1.214 1.214 weight 1.000 ! spec=3D Cnoesy, no=878, id=1502, vol=6.864000e+00
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   48 and name   HB) 3.014 1.214 2.986 weight 1.000 ! spec=3D Cnoesy, no=879, id=1503, vol=1.961000e+00
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   48 and name HG21) 2.737 0.936 0.936 weight 1.000 ! spec=3D Cnoesy, no=880, id=1504, vol=7.710000e-01
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HB1) 2.250 0.633 0.633 weight 1.000 ! spec=3D Cnoesy, no=885, id=1509, vol=2.771000e+00
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD2) 2.956 1.092 1.092 weight 1.000 ! spec=3D Cnoesy, no=886, id=1510, vol=8.400000e+07
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   38 and name  HB2) 3.283 1.347 1.347 weight 1.000 ! spec=3D Cnoesy, no=887, id=1511, vol=1.880000e+08
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   38 and name  HB1) 3.415 1.458 1.458 weight 1.000 ! spec=3D Cnoesy, no=888, id=1512, vol=2.150000e+08
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   38 and name HD21) 3.557 1.582 1.582 weight 1.000 ! spec=3D Cnoesy, no=889, id=1513, vol=1.950000e+08
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   47 and name  HD2) 3.044 1.158 1.158 weight 1.000 ! spec=3D Cnoesy, no=892, id=1516, vol=1.130000e+08
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   37 and name   HA) 2.659 0.884 0.884 weight 1.000 ! spec=3D Cnoesy, no=893, id=1517, vol=4.693000e+00
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name   HB) 2.728 0.930 0.930 weight 1.000 ! spec=3D Cnoesy, no=894, id=1518, vol=1.959000e+00
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name HG21) 2.454 0.753 0.753 weight 1.000 ! spec=3D Cnoesy, no=896, id=1520, vol=7.820000e-01
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   48 and name   HB) 2.800 0.980 0.980 weight 1.000 ! spec=3D Cnoesy, no=897, id=1521, vol=1.563000e+00
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   48 and name HG11) 2.974 1.105 1.105 weight 1.000 ! spec=3D Cnoesy, no=903, id=1527, vol=1.250000e+07
assign (segid "    " and resid   48 and name HG11) (segid "    " and resid   37 and name   HA) 2.924 1.069 1.069 weight 1.000 ! spec=3D Cnoesy, no=904, id=1528, vol=7.640000e+08
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name HG11) 2.372 0.703 0.703 weight 1.000 ! spec=3D Cnoesy, no=905, id=1529, vol=3.140000e+07
assign (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG11) 2.215 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=906, id=1530, vol=1.971000e+00
assign (segid "    " and resid   48 and name HG21) (segid "    " and resid   10 and name   HG) 2.783 0.983 3.217 weight 1.000 ! spec=3D Cnoesy, no=907, id=1531, vol=1.552000e+00
assign (segid "    " and resid   48 and name HG21) (segid "    " and resid   37 and name   HA) 3.173 1.259 1.259 weight 1.000 ! spec=3D Cnoesy, no=908, id=1532, vol=5.210000e+06
assign (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG21) 2.208 0.609 0.609 weight 1.000 ! spec=3D Cnoesy, no=911, id=1535, vol=1.970000e+00
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HB2) 2.625 0.861 0.861 weight 1.000 ! spec=3D Cnoesy, no=912, id=1536, vol=1.614000e+00
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HG2) 2.933 1.075 1.075 weight 1.000 ! spec=3D Cnoesy, no=913, id=1537, vol=1.476000e+00
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HG1) 3.018 1.138 1.138 weight 1.000 ! spec=3D Cnoesy, no=914, id=1538, vol=1.265000e+00
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   50 and name HG11) 3.244 1.316 1.316 weight 1.000 ! spec=3D Cnoesy, no=915, id=1539, vol=8.770000e-01
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   50 and name HG21) 3.444 1.483 1.483 weight 1.000 ! spec=3D Cnoesy, no=916, id=1540, vol=7.710000e-01
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid    7 and name HG11) 3.095 1.197 1.197 weight 1.000 ! spec=3D Cnoesy, no=917, id=1541, vol=8.660000e-01
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   49 and name  HB2) 2.843 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=918, id=1542, vol=1.848000e+00
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   48 and name   HA) 3.721 1.731 1.731 weight 1.000 ! spec=3D Cnoesy, no=920, id=1544, vol=4.927000e+00
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HD1) 2.378 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=922, id=1546, vol=1.476000e+00
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HE2) 3.197 1.277 1.277 weight 1.000 ! spec=3D Cnoesy, no=923, id=1547, vol=2.100000e+07
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HG1) 2.832 1.002 1.002 weight 1.000 ! spec=3D Cnoesy, no=924, id=1548, vol=1.268000e+00
assign (segid "    " and resid   49 and name  HD2) (segid "    " and resid    7 and name HG11) 3.264 1.332 1.332 weight 1.000 ! spec=3D Cnoesy, no=925, id=1549, vol=8.560000e-01
assign (segid "    " and resid   49 and name  HD2) (segid "    " and resid   49 and name  HE2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=926, id=1550, vol=7.190000e+08
assign (segid "    " and resid   49 and name  HD2) (segid "    " and resid   49 and name  HG1) 2.473 0.764 0.764 weight 1.000 ! spec=3D Cnoesy, no=927, id=1551, vol=1.262000e+00
assign (segid "    " and resid   49 and name  HD1) (segid "    " and resid    7 and name HG11) 3.230 1.304 1.304 weight 1.000 ! spec=3D Cnoesy, no=928, id=1552, vol=8.630000e-01
assign (segid "    " and resid   49 and name  HD1) (segid "    " and resid   49 and name  HG1) 2.474 0.765 0.765 weight 1.000 ! spec=3D Cnoesy, no=930, id=1554, vol=1.263000e+00
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   49 and name  HE2) 3.711 1.722 1.722 weight 1.000 ! spec=3D Cnoesy, no=932, id=1556, vol=2.163000e+00
assign (segid "    " and resid   49 and name  HE2) (segid "    " and resid   38 and name HD11) 2.977 1.108 1.108 weight 1.000 ! spec=3D Cnoesy, no=933, id=1557, vol=4.070000e+08
assign (segid "    " and resid   49 and name  HE2) (segid "    " and resid   49 and name   HA) 3.718 1.728 1.728 weight 1.000 ! spec=3D Cnoesy, no=934, id=1558, vol=7.000000e+06
assign (segid "    " and resid   49 and name  HD1) (segid "    " and resid   49 and name  HE2) 2.387 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=935, id=1559, vol=3.180000e+08
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name  HE2) 2.990 1.117 1.117 weight 1.000 ! spec=3D Cnoesy, no=937, id=1561, vol=4.900000e+08
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name  HG1) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=938, id=1562, vol=1.264000e+00
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name  HE2) 3.018 1.139 1.139 weight 1.000 ! spec=3D Cnoesy, no=940, id=1564, vol=4.770000e+08
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   50 and name   HA) 2.966 1.099 1.099 weight 1.000 ! spec=3D Cnoesy, no=942, id=1566, vol=1.411000e+00
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name   HB) 2.594 0.841 0.841 weight 1.000 ! spec=3D Cnoesy, no=943, id=1567, vol=1.587000e+00
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name HD11) 2.931 1.131 3.069 weight 1.000 ! spec=3D Cnoesy, no=944, id=1568, vol=6.600000e-01
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   50 and name HD11) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=953, id=1577, vol=5.010000e+08
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HD11) 2.338 0.684 0.684 weight 1.000 ! spec=3D Cnoesy, no=955, id=1579, vol=1.582000e+00
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   50 and name HG12) 2.166 0.586 0.586 weight 1.000 ! spec=3D Cnoesy, no=956, id=1580, vol=1.361000e+00
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   50 and name HG11) 2.008 0.208 3.992 weight 1.000 ! spec=3D Cnoesy, no=957, id=1581, vol=8.990000e-01
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   52 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=3D Cnoesy, no=958, id=1582, vol=1.520000e+07
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   56 and name   HA) 2.582 0.833 0.833 weight 1.000 ! spec=3D Cnoesy, no=961, id=1585, vol=2.500000e+07
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   57 and name  HB2) 3.438 1.478 1.478 weight 1.000 ! spec=3D Cnoesy, no=963, id=1587, vol=1.824000e+00
assign (segid "    " and resid   50 and name HG12) (segid "    " and resid   50 and name   HA) 3.499 1.531 1.531 weight 1.000 ! spec=3D Cnoesy, no=966, id=1590, vol=2.530000e+07
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG12) 2.714 0.921 0.921 weight 1.000 ! spec=3D Cnoesy, no=967, id=1591, vol=1.578000e+00
assign (segid "    " and resid   50 and name HG12) (segid "    " and resid   50 and name HG11) 2.178 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=969, id=1593, vol=8.990000e-01
assign (segid "    " and resid   50 and name HG12) (segid "    " and resid   52 and name   HA) 3.856 1.859 1.859 weight 1.000 ! spec=3D Cnoesy, no=971, id=1595, vol=5.880000e+06
assign (segid "    " and resid   50 and name HG11) (segid "    " and resid   50 and name   HA) 3.589 1.611 1.611 weight 1.000 ! spec=3D Cnoesy, no=974, id=1598, vol=2.970000e+07
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG11) 2.852 1.017 1.017 weight 1.000 ! spec=3D Cnoesy, no=975, id=1599, vol=1.588000e+00
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   50 and name HG21) 2.542 0.742 3.458 weight 1.000 ! spec=3D Cnoesy, no=978, id=1602, vol=2.460000e+07
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   48 and name   HB) 2.904 1.104 3.096 weight 1.000 ! spec=3D Cnoesy, no=979, id=1603, vol=1.981000e+00
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name HG21) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=980, id=1604, vol=3.900000e+07
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG21) 2.214 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=981, id=1605, vol=1.586000e+00
assign (segid "    " and resid   50 and name HG12) (segid "    " and resid   50 and name HG21) 2.541 0.741 3.459 weight 1.000 ! spec=3D Cnoesy, no=982, id=1606, vol=1.354000e+00
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   57 and name   HA) 3.260 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=983, id=1607, vol=5.600000e+06
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   50 and name   HA) 3.864 1.866 1.866 weight 1.000 ! spec=3D Cnoesy, no=986, id=1610, vol=9.950000e+06
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name   HA) 2.917 1.064 1.064 weight 1.000 ! spec=3D Cnoesy, no=987, id=1611, vol=3.760000e+08
assign (segid "    " and resid   35 and name  HD1) (segid "    " and resid   51 and name  HB1) 3.304 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=994, id=1618, vol=5.050000e+07
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   51 and name  HB1) 3.187 1.270 1.270 weight 1.000 ! spec=3D Cnoesy, no=995, id=1619, vol=5.900000e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   50 and name   HA) 3.855 1.858 1.858 weight 1.000 ! spec=3D Cnoesy, no=996, id=1620, vol=1.510000e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   51 and name   HA) 2.782 0.968 0.968 weight 1.000 ! spec=3D Cnoesy, no=997, id=1621, vol=2.980000e+07
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name  HB1) 2.072 0.537 0.537 weight 1.000 ! spec=3D Cnoesy, no=998, id=1622, vol=2.913000e+00
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   54 and name   HB) 3.386 1.586 2.614 weight 1.000 ! spec=3D Cnoesy, no=999, id=1623, vol=1.210000e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   54 and name HG11) 2.989 1.116 1.116 weight 1.000 ! spec=3D Cnoesy, no=1000, id=1624, vol=2.040000e+07
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   55 and name HG21) 3.828 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=1001, id=1625, vol=2.480000e+06
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   52 and name  HB2) 3.412 1.455 1.455 weight 1.000 ! spec=3D Cnoesy, no=1004, id=1628, vol=6.530000e-01
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   52 and name   HA) 2.488 0.774 0.774 weight 1.000 ! spec=3D Cnoesy, no=1005, id=1629, vol=4.511000e+00
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB1) 2.523 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=1007, id=1631, vol=4.516000e+00
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   52 and name  HB1) 1.940 0.470 0.470 weight 1.000 ! spec=3D Cnoesy, no=1008, id=1632, vol=4.104000e+00
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB2) 2.616 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=1009, id=1633, vol=1.909000e+00
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB1) 2.453 0.752 0.752 weight 1.000 ! spec=3D Cnoesy, no=1010, id=1634, vol=1.831000e+00
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HD2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=1011, id=1635, vol=2.080000e+07
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HG1) 2.634 0.867 0.867 weight 1.000 ! spec=3D Cnoesy, no=1012, id=1636, vol=1.361000e+00
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HB1) 1.879 0.441 0.441 weight 1.000 ! spec=3D Cnoesy, no=1014, id=1638, vol=1.840000e+00
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HD2) 2.928 1.128 3.072 weight 1.000 ! spec=3D Cnoesy, no=1015, id=1639, vol=1.586000e+00
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HG2) 2.807 0.985 0.985 weight 1.000 ! spec=3D Cnoesy, no=1016, id=1640, vol=1.428000e+00
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   54 and name HG11) 3.208 1.286 1.286 weight 1.000 ! spec=3D Cnoesy, no=1017, id=1641, vol=9.040000e-01
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HD2) 2.940 1.080 1.080 weight 1.000 ! spec=3D Cnoesy, no=1020, id=1644, vol=1.591000e+00
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   54 and name HG11) 3.232 1.432 2.768 weight 1.000 ! spec=3D Cnoesy, no=1023, id=1647, vol=9.030000e-01
assign (segid "    " and resid   53 and name  HD2) (segid "    " and resid   53 and name  HG1) 2.077 0.539 0.539 weight 1.000 ! spec=3D Cnoesy, no=1026, id=1650, vol=1.361000e+00
assign (segid "    " and resid   53 and name  HE2) (segid "    " and resid   53 and name  HB2) 3.271 1.338 1.338 weight 1.000 ! spec=3D Cnoesy, no=1027, id=1651, vol=9.080000e+06
assign (segid "    " and resid   53 and name  HE2) (segid "    " and resid   53 and name  HB1) 3.303 1.364 1.364 weight 1.000 ! spec=3D Cnoesy, no=1028, id=1652, vol=1.030000e+07
assign (segid "    " and resid   53 and name  HD2) (segid "    " and resid   53 and name  HE2) 2.333 0.680 0.680 weight 1.000 ! spec=3D Cnoesy, no=1029, id=1653, vol=8.340000e+08
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=3D Cnoesy, no=1030, id=1654, vol=7.140000e+07
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HG2) 2.811 0.987 0.987 weight 1.000 ! spec=3D Cnoesy, no=1032, id=1656, vol=1.825000e+00
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name  HD2) 2.102 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=1033, id=1657, vol=1.580000e+00
assign (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=3D Cnoesy, no=1035, id=1659, vol=1.914000e+00
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HG1) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=1036, id=1660, vol=1.825000e+00
assign (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HE2) 3.366 1.416 1.416 weight 1.000 ! spec=3D Cnoesy, no=1038, id=1662, vol=4.680000e+08
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name   HB) 2.566 0.823 0.823 weight 1.000 ! spec=3D Cnoesy, no=1039, id=1663, vol=2.730000e+07
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name HG11) 2.216 0.416 3.784 weight 1.000 ! spec=3D Cnoesy, no=1040, id=1664, vol=8.930000e-01
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   54 and name   HB) 3.024 1.143 1.143 weight 1.000 ! spec=3D Cnoesy, no=1042, id=1666, vol=1.920000e+07
assign (segid "    " and resid   54 and name   HB) (segid "    " and resid   54 and name HG11) 2.266 0.642 0.642 weight 1.000 ! spec=3D Cnoesy, no=1044, id=1668, vol=1.400000e+08
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   54 and name HG11) 2.699 0.910 0.910 weight 1.000 ! spec=3D Cnoesy, no=1045, id=1669, vol=1.800000e+07
assign (segid "    " and resid   54 and name HG21) (segid "    " and resid   54 and name   HA) 2.348 0.689 0.689 weight 1.000 ! spec=3D Cnoesy, no=1048, id=1672, vol=1.940000e+08
assign (segid "    " and resid   54 and name HG21) (segid "    " and resid   54 and name   HB) 2.154 0.580 0.580 weight 1.000 ! spec=3D Cnoesy, no=1049, id=1673, vol=2.067000e+00
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name   HB) 2.546 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1050, id=1674, vol=4.058000e+00
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name HG21) 2.842 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=1051, id=1675, vol=1.054000e+00
assign (segid "    " and resid   55 and name   HB) (segid "    " and resid   54 and name HG11) 2.927 1.127 3.073 weight 1.000 ! spec=3D Cnoesy, no=1052, id=1676, vol=8.730000e-01
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   55 and name HG21) 2.561 0.820 0.820 weight 1.000 ! spec=3D Cnoesy, no=1054, id=1678, vol=2.560000e+07
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   55 and name HG21) 2.477 0.767 0.767 weight 1.000 ! spec=3D Cnoesy, no=1056, id=1680, vol=1.587000e+00
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   55 and name HG21) 2.397 0.718 0.718 weight 1.000 ! spec=3D Cnoesy, no=1057, id=1681, vol=6.570000e-01
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   55 and name HG21) 3.558 1.582 1.582 weight 1.000 ! spec=3D Cnoesy, no=1058, id=1682, vol=4.090000e+06
assign (segid "    " and resid   55 and name   HB) (segid "    " and resid   55 and name HG21) 2.315 0.670 0.670 weight 1.000 ! spec=3D Cnoesy, no=1061, id=1685, vol=4.490000e+07
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   50 and name HD11) 3.845 1.848 1.848 weight 1.000 ! spec=3D Cnoesy, no=1062, id=1686, vol=4.540000e+07
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=3D Cnoesy, no=1063, id=1687, vol=3.250000e+08
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   59 and name  HB2) 3.880 1.882 1.882 weight 1.000 ! spec=3D Cnoesy, no=1065, id=1689, vol=1.550000e+08
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   59 and name  HG2) 3.847 1.850 1.850 weight 1.000 ! spec=3D Cnoesy, no=1066, id=1690, vol=1.680000e+08
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   50 and name HD11) 3.884 1.885 1.885 weight 1.000 ! spec=3D Cnoesy, no=1067, id=1691, vol=3.900000e+07
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=3D Cnoesy, no=1068, id=1692, vol=2.990000e+08
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name  HB1) 2.033 0.516 0.516 weight 1.000 ! spec=3D Cnoesy, no=1069, id=1693, vol=2.971000e+00
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   59 and name  HB2) 3.893 1.894 1.894 weight 1.000 ! spec=3D Cnoesy, no=1070, id=1694, vol=1.770000e+08
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   59 and name  HG2) 3.866 1.869 1.869 weight 1.000 ! spec=3D Cnoesy, no=1071, id=1695, vol=1.670000e+08
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   57 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=3D Cnoesy, no=1072, id=1696, vol=2.010000e+08
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   57 and name   HA) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=1073, id=1697, vol=9.180000e+08
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HB2) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=1074, id=1698, vol=1.818000e+00
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HB1) 2.602 0.846 0.846 weight 1.000 ! spec=3D Cnoesy, no=1075, id=1699, vol=1.680000e+00
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HG2) 2.931 1.074 1.074 weight 1.000 ! spec=3D Cnoesy, no=1076, id=1700, vol=1.445000e+00
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HG1) 2.785 0.969 0.969 weight 1.000 ! spec=3D Cnoesy, no=1077, id=1701, vol=1.331000e+00
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   60 and name   HB) 2.636 0.836 3.364 weight 1.000 ! spec=3D Cnoesy, no=1078, id=1702, vol=1.986000e+00
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   60 and name HG11) 2.916 1.063 1.063 weight 1.000 ! spec=3D Cnoesy, no=1079, id=1703, vol=1.220000e+07
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   57 and name  HB2) 2.942 1.082 1.082 weight 1.000 ! spec=3D Cnoesy, no=1080, id=1704, vol=7.840000e-01
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   56 and name   HA) 3.790 1.795 1.795 weight 1.000 ! spec=3D Cnoesy, no=1081, id=1705, vol=1.500000e+07
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name  HB1) 2.095 0.548 0.548 weight 1.000 ! spec=3D Cnoesy, no=1083, id=1707, vol=1.685000e+00
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name  HD2) 2.948 1.086 1.086 weight 1.000 ! spec=3D Cnoesy, no=1084, id=1708, vol=7.090000e+08
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name  HG2) 2.790 0.973 0.973 weight 1.000 ! spec=3D Cnoesy, no=1085, id=1709, vol=1.447000e+00
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name  HG1) 2.812 0.988 0.988 weight 1.000 ! spec=3D Cnoesy, no=1086, id=1710, vol=1.334000e+00
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   57 and name  HB1) 3.021 1.221 2.979 weight 1.000 ! spec=3D Cnoesy, no=1087, id=1711, vol=7.830000e-01
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   56 and name   HA) 3.789 1.794 1.794 weight 1.000 ! spec=3D Cnoesy, no=1088, id=1712, vol=2.890000e+08
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name  HD2) 2.904 1.054 1.054 weight 1.000 ! spec=3D Cnoesy, no=1091, id=1715, vol=7.270000e+08
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name  HG2) 2.649 0.877 0.877 weight 1.000 ! spec=3D Cnoesy, no=1092, id=1716, vol=1.437000e+00
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name  HG1) 2.758 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=1093, id=1717, vol=1.330000e+00
assign (segid "    " and resid   10 and name HD21) (segid "    " and resid   57 and name  HD2) 2.913 1.061 1.061 weight 1.000 ! spec=3D Cnoesy, no=1094, id=1718, vol=4.090000e+08
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name   HA) 3.429 1.629 2.571 weight 1.000 ! spec=3D Cnoesy, no=1095, id=1719, vol=3.677000e+00
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name  HG2) 2.399 0.719 0.719 weight 1.000 ! spec=3D Cnoesy, no=1096, id=1720, vol=5.640000e+08
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name  HG1) 2.557 0.817 0.817 weight 1.000 ! spec=3D Cnoesy, no=1097, id=1721, vol=3.490000e+08
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   57 and name  HG1) 1.927 0.464 0.464 weight 1.000 ! spec=3D Cnoesy, no=1100, id=1724, vol=1.341000e+00
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   61 and name  HG1) 3.559 1.584 1.584 weight 1.000 ! spec=3D Cnoesy, no=1102, id=1726, vol=2.121000e+00
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   58 and name  HB2) 2.251 0.633 0.633 weight 1.000 ! spec=3D Cnoesy, no=1106, id=1730, vol=3.181000e+00
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   58 and name  HD1) 2.723 0.927 0.927 weight 1.000 ! spec=3D Cnoesy, no=1107, id=1731, vol=7.270000e+00
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   61 and name  HB2) 2.640 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=1108, id=1732, vol=7.130000e+07
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   61 and name  HG2) 3.219 1.295 1.295 weight 1.000 ! spec=3D Cnoesy, no=1109, id=1733, vol=2.402000e+00
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name  HD1) 2.647 0.847 3.353 weight 1.000 ! spec=3D Cnoesy, no=1111, id=1735, vol=5.900000e+07
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   58 and name   HA) 3.807 1.811 1.811 weight 1.000 ! spec=3D Cnoesy, no=1112, id=1736, vol=4.352000e+00
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HB2) 2.366 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=1113, id=1737, vol=2.064000e+00
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HB1) 2.405 0.723 0.723 weight 1.000 ! spec=3D Cnoesy, no=1114, id=1738, vol=2.009000e+00
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HG1) 2.666 0.889 0.889 weight 1.000 ! spec=3D Cnoesy, no=1115, id=1739, vol=2.415000e+00
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   56 and name  HB2) 3.864 1.866 1.866 weight 1.000 ! spec=3D Cnoesy, no=1117, id=1741, vol=1.110000e+08
assign (segid "    " and resid   59 and name  HG2) (segid "    " and resid   59 and name   HA) 2.822 0.996 0.996 weight 1.000 ! spec=3D Cnoesy, no=1119, id=1743, vol=3.870000e+08
assign (segid "    " and resid   59 and name  HG2) (segid "    " and resid   59 and name  HB2) 2.383 0.710 0.710 weight 1.000 ! spec=3D Cnoesy, no=1120, id=1744, vol=2.081000e+00
assign (segid "    " and resid   50 and name HD11) (segid "    " and resid   60 and name   HB) 2.929 1.129 3.071 weight 1.000 ! spec=3D Cnoesy, no=1127, id=1751, vol=2.060000e+07
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name   HB) 2.567 0.823 0.823 weight 1.000 ! spec=3D Cnoesy, no=1128, id=1752, vol=4.520000e+07
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG11) 2.120 0.320 3.880 weight 1.000 ! spec=3D Cnoesy, no=1131, id=1755, vol=5.770000e+07
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG11) 2.177 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=1132, id=1756, vol=1.987000e+00
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG21) 2.251 0.634 0.634 weight 1.000 ! spec=3D Cnoesy, no=1133, id=1757, vol=4.480000e+07
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG21) 2.202 0.402 3.798 weight 1.000 ! spec=3D Cnoesy, no=1134, id=1758, vol=1.982000e+00
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   58 and name   HA) 3.746 1.754 1.754 weight 1.000 ! spec=3D Cnoesy, no=1136, id=1760, vol=4.321000e+00
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name  HB2) 2.294 0.658 0.658 weight 1.000 ! spec=3D Cnoesy, no=1137, id=1761, vol=2.115000e+00
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name  HG2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=1138, id=1762, vol=2.150000e+07
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   64 and name   HB) 2.259 0.638 0.638 weight 1.000 ! spec=3D Cnoesy, no=1139, id=1763, vol=1.984000e+00
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   64 and name HD11) 2.496 0.779 0.779 weight 1.000 ! spec=3D Cnoesy, no=1140, id=1764, vol=2.910000e+08
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   64 and name HG12) 3.249 1.320 1.320 weight 1.000 ! spec=3D Cnoesy, no=1141, id=1765, vol=9.260000e-01
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   64 and name HG21) 2.682 0.882 3.318 weight 1.000 ! spec=3D Cnoesy, no=1142, id=1766, vol=8.430000e+08
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   61 and name  HB2) 3.169 1.256 1.256 weight 1.000 ! spec=3D Cnoesy, no=1143, id=1767, vol=7.760000e-01
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   10 and name HD21) 3.314 1.514 2.686 weight 1.000 ! spec=3D Cnoesy, no=1146, id=1770, vol=7.820000e-01
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   12 and name HD11) 3.500 1.532 1.532 weight 1.000 ! spec=3D Cnoesy, no=1147, id=1771, vol=6.920000e-01
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=3D Cnoesy, no=1148, id=1772, vol=3.110000e+07
assign (segid "    " and resid   10 and name HD11) (segid "    " and resid   61 and name  HG2) 2.967 1.100 1.100 weight 1.000 ! spec=3D Cnoesy, no=1149, id=1773, vol=5.680000e+07
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   57 and name  HD2) 3.836 1.839 1.839 weight 1.000 ! spec=3D Cnoesy, no=1151, id=1775, vol=6.860000e+06
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   61 and name  HG2) 3.409 1.453 1.453 weight 1.000 ! spec=3D Cnoesy, no=1152, id=1776, vol=3.370000e+07
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   61 and name  HG2) 3.486 1.519 1.519 weight 1.000 ! spec=3D Cnoesy, no=1153, id=1777, vol=3.630000e+07
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   61 and name  HB1) 2.492 0.776 0.776 weight 1.000 ! spec=3D Cnoesy, no=1156, id=1780, vol=2.000000e+00
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   61 and name  HG1) 1.977 0.488 0.488 weight 1.000 ! spec=3D Cnoesy, no=1157, id=1781, vol=2.110000e+00
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   57 and name  HD2) 3.766 1.772 1.772 weight 1.000 ! spec=3D Cnoesy, no=1160, id=1784, vol=2.260000e+07
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   57 and name  HG1) 3.829 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=1162, id=1786, vol=2.410000e+07
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   58 and name   HA) 3.380 1.428 1.428 weight 1.000 ! spec=3D Cnoesy, no=1163, id=1787, vol=7.360000e+06
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   61 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=1164, id=1788, vol=2.750000e+07
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   61 and name  HB1) 2.273 0.646 0.646 weight 1.000 ! spec=3D Cnoesy, no=1165, id=1789, vol=2.010000e+00
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HB2) 2.204 0.404 3.796 weight 1.000 ! spec=3D Cnoesy, no=1167, id=1791, vol=1.967000e+00
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HG2) 2.519 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=1168, id=1792, vol=2.094000e+00
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   65 and name  HD2) 3.442 1.481 1.481 weight 1.000 ! spec=3D Cnoesy, no=1169, id=1793, vol=3.173000e+00
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   65 and name  HG1) 3.575 1.598 1.598 weight 1.000 ! spec=3D Cnoesy, no=1170, id=1794, vol=1.573000e+00
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   62 and name  HG2) 1.942 0.472 0.472 weight 1.000 ! spec=3D Cnoesy, no=1172, id=1796, vol=2.090000e+00
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   66 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1175, id=1799, vol=2.104000e+00
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   66 and name  HG2) 3.354 1.406 1.406 weight 1.000 ! spec=3D Cnoesy, no=1176, id=1800, vol=3.120000e+07
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   66 and name  HG1) 3.369 1.419 1.419 weight 1.000 ! spec=3D Cnoesy, no=1177, id=1801, vol=3.350000e+07
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   63 and name  HB1) 2.363 0.698 0.698 weight 1.000 ! spec=3D Cnoesy, no=1179, id=1803, vol=4.000000e+07
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   63 and name  HB1) 2.737 0.936 0.936 weight 1.000 ! spec=3D Cnoesy, no=1180, id=1804, vol=8.110000e-01
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   63 and name  HB1) 2.035 0.235 3.965 weight 1.000 ! spec=3D Cnoesy, no=1181, id=1805, vol=9.690000e+07
assign (segid "    " and resid   63 and name  HB1) (segid "    " and resid   64 and name   HA) 3.169 1.255 1.255 weight 1.000 ! spec=3D Cnoesy, no=1182, id=1806, vol=5.900000e+06
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   64 and name   HA) 3.304 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=1183, id=1807, vol=7.700000e+06
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   64 and name   HA) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=1184, id=1808, vol=1.300000e+08
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name   HB) 2.618 0.857 0.857 weight 1.000 ! spec=3D Cnoesy, no=1186, id=1810, vol=6.870000e+07
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name HG12) 2.441 0.745 0.745 weight 1.000 ! spec=3D Cnoesy, no=1187, id=1811, vol=1.600000e+08
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name HG11) 2.568 0.824 0.824 weight 1.000 ! spec=3D Cnoesy, no=1188, id=1812, vol=6.220000e+07
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name HG21) 2.261 0.461 3.739 weight 1.000 ! spec=3D Cnoesy, no=1189, id=1813, vol=1.490000e+08
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   67 and name  HB1) 2.525 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=1190, id=1814, vol=3.310000e+07
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   64 and name HD11) 2.513 0.790 0.790 weight 1.000 ! spec=3D Cnoesy, no=1193, id=1817, vol=2.400000e+08
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   64 and name HG12) 2.869 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=1194, id=1818, vol=1.980000e+07
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   64 and name HG21) 2.380 0.708 0.708 weight 1.000 ! spec=3D Cnoesy, no=1195, id=1819, vol=1.730000e+08
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   65 and name   HA) 3.771 1.778 1.778 weight 1.000 ! spec=3D Cnoesy, no=1196, id=1820, vol=4.930000e+06
assign (segid "    " and resid   64 and name HD11) (segid "    " and resid   12 and name HG11) 2.691 0.891 3.309 weight 1.000 ! spec=3D Cnoesy, no=1197, id=1821, vol=1.154000e+00
assign (segid "    " and resid   64 and name HD11) (segid "    " and resid   64 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=3D Cnoesy, no=1199, id=1823, vol=1.540000e+07
assign (segid "    " and resid   64 and name HD11) (segid "    " and resid   64 and name HG12) 1.894 0.094 4.106 weight 1.000 ! spec=3D Cnoesy, no=1200, id=1824, vol=9.210000e-01
assign (segid "    " and resid   64 and name HD11) (segid "    " and resid   64 and name HG11) 2.096 0.549 0.549 weight 1.000 ! spec=3D Cnoesy, no=1201, id=1825, vol=1.878000e+00
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   28 and name HD11) 3.274 1.340 1.340 weight 1.000 ! spec=3D Cnoesy, no=1202, id=1826, vol=5.720000e-01
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   61 and name   HA) 3.307 1.367 1.367 weight 1.000 ! spec=3D Cnoesy, no=1208, id=1832, vol=1.110000e+07
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name HG11) 2.143 0.574 0.574 weight 1.000 ! spec=3D Cnoesy, no=1211, id=1835, vol=9.260000e-01
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name HG21) 2.423 0.623 3.577 weight 1.000 ! spec=3D Cnoesy, no=1212, id=1836, vol=8.090000e-01
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HB2) 2.319 0.672 0.672 weight 1.000 ! spec=3D Cnoesy, no=1214, id=1838, vol=1.886000e+00
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HG1) 2.700 0.911 0.911 weight 1.000 ! spec=3D Cnoesy, no=1215, id=1839, vol=1.587000e+00
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   68 and name  HB1) 3.214 1.291 1.291 weight 1.000 ! spec=3D Cnoesy, no=1216, id=1840, vol=1.452000e+00
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   68 and name HD11) 2.646 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=1217, id=1841, vol=5.900000e+07
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   62 and name  HG2) 3.106 1.206 1.206 weight 1.000 ! spec=3D Cnoesy, no=1220, id=1844, vol=2.020000e+07
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HD2) 2.414 0.729 0.729 weight 1.000 ! spec=3D Cnoesy, no=1221, id=1845, vol=3.630000e+08
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   66 and name   HA) 2.501 0.782 0.782 weight 1.000 ! spec=3D Cnoesy, no=1222, id=1846, vol=4.101000e+00
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name   HA) 3.030 1.147 1.147 weight 1.000 ! spec=3D Cnoesy, no=1223, id=1847, vol=1.840000e+07
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HD2) 2.898 1.050 1.050 weight 1.000 ! spec=3D Cnoesy, no=1224, id=1848, vol=2.940000e+07
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HD2) 2.803 0.982 0.982 weight 1.000 ! spec=3D Cnoesy, no=1227, id=1851, vol=2.840000e+07
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HG1) 2.154 0.580 0.580 weight 1.000 ! spec=3D Cnoesy, no=1228, id=1852, vol=1.799000e+00
assign (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name  HB2) 2.239 0.439 3.761 weight 1.000 ! spec=3D Cnoesy, no=1229, id=1853, vol=2.106000e+00
assign (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name  HG1) 2.645 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=1231, id=1855, vol=2.360000e+00
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   67 and name  HB1) 3.419 1.461 1.461 weight 1.000 ! spec=3D Cnoesy, no=1232, id=1856, vol=1.416000e+00
assign (segid "    " and resid   66 and name  HG2) (segid "    " and resid   65 and name  HB2) 3.531 1.558 1.558 weight 1.000 ! spec=3D Cnoesy, no=1233, id=1857, vol=1.885000e+00
assign (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name  HG2) 2.741 0.939 0.939 weight 1.000 ! spec=3D Cnoesy, no=1234, id=1858, vol=2.200000e+07
assign (segid "    " and resid   66 and name  HG2) (segid "    " and resid   66 and name  HB2) 2.100 0.551 0.551 weight 1.000 ! spec=3D Cnoesy, no=1235, id=1859, vol=2.107000e+00
assign (segid "    " and resid   66 and name  HG2) (segid "    " and resid   69 and name  HB2) 3.233 1.307 1.307 weight 1.000 ! spec=3D Cnoesy, no=1237, id=1861, vol=1.980000e+00
assign (segid "    " and resid   66 and name  HG1) (segid "    " and resid   65 and name  HB2) 3.600 1.620 1.620 weight 1.000 ! spec=3D Cnoesy, no=1238, id=1862, vol=1.871000e+00
assign (segid "    " and resid   66 and name  HG1) (segid "    " and resid   66 and name  HB2) 2.182 0.382 3.818 weight 1.000 ! spec=3D Cnoesy, no=1240, id=1864, vol=2.108000e+00
assign (segid "    " and resid   66 and name  HG2) (segid "    " and resid   66 and name  HG1) 1.605 0.322 0.322 weight 1.000 ! spec=3D Cnoesy, no=1241, id=1865, vol=2.474000e+00
assign (segid "    " and resid   66 and name  HG1) (segid "    " and resid   69 and name  HB2) 3.374 1.423 1.423 weight 1.000 ! spec=3D Cnoesy, no=1242, id=1866, vol=1.969000e+00
assign (segid "    " and resid   67 and name  HB1) (segid "    " and resid   28 and name HD21) 2.545 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1245, id=1869, vol=7.010000e-01
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name  HB1) 2.079 0.279 3.921 weight 1.000 ! spec=3D Cnoesy, no=1247, id=1871, vol=1.030000e+08
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   68 and name  HB2) 2.532 0.802 0.802 weight 1.000 ! spec=3D Cnoesy, no=1248, id=1872, vol=1.794000e+00
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   68 and name  HB1) 2.527 0.798 0.798 weight 1.000 ! spec=3D Cnoesy, no=1249, id=1873, vol=1.451000e+00
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name  HB1) 2.008 0.504 0.504 weight 1.000 ! spec=3D Cnoesy, no=1256, id=1880, vol=1.799000e+00
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name HD11) 2.511 0.788 0.788 weight 1.000 ! spec=3D Cnoesy, no=1257, id=1881, vol=8.610000e+08
assign (segid "    " and resid   68 and name HD11) (segid "    " and resid   14 and name   HA) 3.375 1.424 1.424 weight 1.000 ! spec=3D Cnoesy, no=1258, id=1882, vol=3.970000e+08
assign (segid "    " and resid   68 and name HD11) (segid "    " and resid   15 and name  HD1) 3.307 1.367 1.367 weight 1.000 ! spec=3D Cnoesy, no=1259, id=1883, vol=5.320000e+06
assign (segid "    " and resid   68 and name HD11) (segid "    " and resid   68 and name   HA) 3.261 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=1261, id=1885, vol=5.920000e+06
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name HD11) 2.379 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=1262, id=1886, vol=1.791000e+00
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   68 and name HD21) 2.161 0.584 0.584 weight 1.000 ! spec=3D Cnoesy, no=1265, id=1889, vol=1.330000e+08
assign (segid "    " and resid   68 and name HD21) (segid "    " and resid   68 and name   HG) 2.141 0.573 0.573 weight 1.000 ! spec=3D Cnoesy, no=1266, id=1890, vol=1.767000e+00
assign (segid "    " and resid   68 and name   HG) (segid "    " and resid   68 and name   HA) 3.339 1.393 1.393 weight 1.000 ! spec=3D Cnoesy, no=1267, id=1891, vol=1.070000e+07
assign (segid "    " and resid   68 and name   HG) (segid "    " and resid   68 and name  HB1) 2.746 0.943 0.943 weight 1.000 ! spec=3D Cnoesy, no=1268, id=1892, vol=1.455000e+00
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB2) 2.214 0.414 3.786 weight 1.000 ! spec=3D Cnoesy, no=1270, id=1894, vol=1.968000e+00
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HG2) 2.639 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=1271, id=1895, vol=2.189000e+00
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HG1) 2.998 1.123 1.123 weight 1.000 ! spec=3D Cnoesy, no=1272, id=1896, vol=2.314000e+00
assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name  HG2) 1.967 0.483 0.483 weight 1.000 ! spec=3D Cnoesy, no=1276, id=1900, vol=1.971000e+00
assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB2) 1.988 0.494 0.494 weight 1.000 ! spec=3D Cnoesy, no=1277, id=1901, vol=1.973000e+00
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.643 0.873 0.873 weight 1.000 ! spec=3D Nnoesy, no=3, id=0, vol=8.700000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB2) 3.764 1.771 1.771 weight 1.000 ! spec=3D Nnoesy, no=4, id=1, vol=1.780000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB1) 3.727 1.737 1.737 weight 1.000 ! spec=3D Nnoesy, no=5, id=2, vol=7.040000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HD2) 4.210 2.215 2.215 weight 1.000 ! spec=3D Nnoesy, no=6, id=3, vol=1.170000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HD1) 3.871 1.874 1.874 weight 1.000 ! spec=3D Nnoesy, no=7, id=4, vol=1.260000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HG1) 3.660 1.675 1.675 weight 1.000 ! spec=3D Nnoesy, no=8, id=5, vol=4.060000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=3D Nnoesy, no=9, id=6, vol=5.660000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HB2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=10, id=7, vol=7.380000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HD2) 3.441 1.480 1.480 weight 1.000 ! spec=3D Nnoesy, no=11, id=8, vol=2.420000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HB2) 3.343 1.397 1.397 weight 1.000 ! spec=3D Nnoesy, no=12, id=9, vol=3.070000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HD2) 3.929 1.930 1.930 weight 1.000 ! spec=3D Nnoesy, no=13, id=10, vol=2.340000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA) 2.420 0.732 0.732 weight 1.000 ! spec=3D Nnoesy, no=14, id=11, vol=1.610000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HB) 2.641 0.872 0.872 weight 1.000 ! spec=3D Nnoesy, no=15, id=12, vol=1.020000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name HG11) 2.699 0.911 0.911 weight 1.000 ! spec=3D Nnoesy, no=16, id=13, vol=8.700000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=3D Nnoesy, no=18, id=15, vol=1.040000e+08
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HB) 3.554 1.579 1.579 weight 1.000 ! spec=3D Nnoesy, no=19, id=16, vol=2.490000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name HG11) 3.230 1.304 1.304 weight 1.000 ! spec=3D Nnoesy, no=20, id=17, vol=3.730000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name   HN) 3.712 1.723 1.723 weight 1.000 ! spec=3D Nnoesy, no=21, id=18, vol=7.744000e+00
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 3.291 1.354 1.354 weight 1.000 ! spec=3D Nnoesy, no=22, id=19, vol=4.450000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   50 and name HG12) 3.923 1.924 1.924 weight 1.000 ! spec=3D Nnoesy, no=23, id=20, vol=3.470000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HA) 2.906 1.056 1.056 weight 1.000 ! spec=3D Nnoesy, no=24, id=21, vol=1.040000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB2) 3.498 1.529 1.529 weight 1.000 ! spec=3D Nnoesy, no=25, id=22, vol=1.920000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 3.627 1.644 1.644 weight 1.000 ! spec=3D Nnoesy, no=26, id=23, vol=3.190000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 3.161 1.249 1.249 weight 1.000 ! spec=3D Nnoesy, no=27, id=24, vol=1.110000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=3D Nnoesy, no=28, id=25, vol=2.250000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB2) 3.079 1.185 1.185 weight 1.000 ! spec=3D Nnoesy, no=29, id=26, vol=6.990000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 4.218 2.224 2.224 weight 1.000 ! spec=3D Nnoesy, no=30, id=27, vol=7.230000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 3.210 1.288 1.288 weight 1.000 ! spec=3D Nnoesy, no=31, id=28, vol=5.680000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB2) 2.801 0.980 0.980 weight 1.000 ! spec=3D Nnoesy, no=32, id=29, vol=1.760000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB1) 3.402 1.446 1.446 weight 1.000 ! spec=3D Nnoesy, no=33, id=30, vol=1.700000e+09
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HD21) 3.177 1.262 1.262 weight 1.000 ! spec=3D Nnoesy, no=34, id=31, vol=5.680000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 3.777 1.783 1.783 weight 1.000 ! spec=3D Nnoesy, no=35, id=32, vol=3.220000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   48 and name   HB) 3.737 1.746 1.746 weight 1.000 ! spec=3D Nnoesy, no=36, id=33, vol=2.040000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   48 and name   HN) 3.156 1.245 1.245 weight 1.000 ! spec=3D Nnoesy, no=37, id=34, vol=1.900000e+09
assign (segid "    " and resid   11 and name HH11) (segid "    " and resid   11 and name  HD2) 3.619 1.637 1.637 weight 1.000 ! spec=3D Nnoesy, no=38, id=35, vol=1.050000e+08
assign (segid "    " and resid   11 and name HH12) (segid "    " and resid   11 and name  HD2) 3.617 1.636 1.636 weight 1.000 ! spec=3D Nnoesy, no=39, id=36, vol=8.220000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.485 0.772 0.772 weight 1.000 ! spec=3D Nnoesy, no=40, id=37, vol=2.200000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HD21) 3.444 1.483 1.483 weight 1.000 ! spec=3D Nnoesy, no=41, id=38, vol=3.530000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=3D Nnoesy, no=42, id=39, vol=5.870000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 3.034 1.150 1.150 weight 1.000 ! spec=3D Nnoesy, no=43, id=40, vol=2.640000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=3D Nnoesy, no=44, id=41, vol=2.750000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=3D Nnoesy, no=45, id=42, vol=2.750000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB2) 3.357 1.409 1.409 weight 1.000 ! spec=3D Nnoesy, no=46, id=43, vol=5.810000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HG1) 3.241 1.313 1.313 weight 1.000 ! spec=3D Nnoesy, no=48, id=45, vol=1.880000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 3.798 1.803 1.803 weight 1.000 ! spec=3D Nnoesy, no=49, id=46, vol=3.460000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=3D Nnoesy, no=50, id=47, vol=5.860000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name   HB) 2.642 0.873 0.873 weight 1.000 ! spec=3D Nnoesy, no=51, id=48, vol=1.240000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name HG12) 3.288 1.488 2.712 weight 1.000 ! spec=3D Nnoesy, no=52, id=49, vol=1.212000e+00
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name HG11) 3.227 1.302 1.302 weight 1.000 ! spec=3D Nnoesy, no=53, id=50, vol=1.138000e+00
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name HG21) 3.083 1.188 1.188 weight 1.000 ! spec=3D Nnoesy, no=54, id=51, vol=1.890000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 3.554 1.579 1.579 weight 1.000 ! spec=3D Nnoesy, no=56, id=53, vol=4.600000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   45 and name  HB2) 3.599 1.619 1.619 weight 1.000 ! spec=3D Nnoesy, no=57, id=54, vol=2.030000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   46 and name  HB1) 2.961 1.161 3.039 weight 1.000 ! spec=3D Nnoesy, no=58, id=55, vol=1.960000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   46 and name   HN) 2.902 1.053 1.053 weight 1.000 ! spec=3D Nnoesy, no=59, id=56, vol=6.680000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   47 and name   HA) 3.116 1.213 1.213 weight 1.000 ! spec=3D Nnoesy, no=60, id=57, vol=4.500000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   11 and name  HG2) 3.638 1.655 1.655 weight 1.000 ! spec=3D Nnoesy, no=61, id=58, vol=1.420000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HB) 3.294 1.356 1.356 weight 1.000 ! spec=3D Nnoesy, no=62, id=59, vol=3.170000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name HG12) 3.816 1.821 1.821 weight 1.000 ! spec=3D Nnoesy, no=63, id=60, vol=6.230000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name HG11) 3.873 1.875 1.875 weight 1.000 ! spec=3D Nnoesy, no=64, id=61, vol=1.560000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name HG21) 2.627 0.863 0.863 weight 1.000 ! spec=3D Nnoesy, no=65, id=62, vol=9.640000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB1) 2.371 0.703 0.703 weight 1.000 ! spec=3D Nnoesy, no=67, id=64, vol=2.200000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HG2) 2.931 1.074 1.074 weight 1.000 ! spec=3D Nnoesy, no=68, id=65, vol=7.790000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HG1) 3.531 1.558 1.558 weight 1.000 ! spec=3D Nnoesy, no=69, id=66, vol=1.580000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name   HN) 3.565 1.588 1.588 weight 1.000 ! spec=3D Nnoesy, no=70, id=67, vol=2.210000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HA) 2.236 0.625 0.625 weight 1.000 ! spec=3D Nnoesy, no=71, id=68, vol=3.010000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB2) 3.233 1.307 1.307 weight 1.000 ! spec=3D Nnoesy, no=72, id=69, vol=5.170000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HG2) 3.795 1.801 1.801 weight 1.000 ! spec=3D Nnoesy, no=73, id=70, vol=5.970000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HG1) 3.852 1.854 1.854 weight 1.000 ! spec=3D Nnoesy, no=74, id=71, vol=6.730000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HB) 2.473 0.764 0.764 weight 1.000 ! spec=3D Nnoesy, no=76, id=73, vol=1.990000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HD11) 3.295 1.358 1.358 weight 1.000 ! spec=3D Nnoesy, no=77, id=74, vol=3.130000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HG11) 2.967 1.101 1.101 weight 1.000 ! spec=3D Nnoesy, no=78, id=75, vol=6.950000e-01
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HG21) 2.973 1.173 3.027 weight 1.000 ! spec=3D Nnoesy, no=79, id=76, vol=7.730000e-01
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   45 and name   HA) 2.645 0.875 0.875 weight 1.000 ! spec=3D Nnoesy, no=80, id=77, vol=1.140000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   45 and name  HB2) 3.583 1.605 1.605 weight 1.000 ! spec=3D Nnoesy, no=81, id=78, vol=3.460000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   45 and name   HN) 3.476 1.510 1.510 weight 1.000 ! spec=3D Nnoesy, no=82, id=79, vol=2.430000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HA) 2.164 0.585 0.585 weight 1.000 ! spec=3D Nnoesy, no=84, id=81, vol=2.310000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB2) 3.047 1.161 1.161 weight 1.000 ! spec=3D Nnoesy, no=85, id=82, vol=3.820000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB1) 3.277 1.343 1.343 weight 1.000 ! spec=3D Nnoesy, no=86, id=83, vol=2.600000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HG2) 3.744 1.752 1.752 weight 1.000 ! spec=3D Nnoesy, no=87, id=84, vol=1.830000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HA) 2.705 0.914 0.914 weight 1.000 ! spec=3D Nnoesy, no=88, id=85, vol=7.070000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB1) 2.265 0.641 0.641 weight 1.000 ! spec=3D Nnoesy, no=89, id=86, vol=1.740000e+08
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HB2) 3.174 1.259 1.259 weight 1.000 ! spec=3D Nnoesy, no=92, id=89, vol=2.390000e+08
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HB1) 3.022 1.141 1.141 weight 1.000 ! spec=3D Nnoesy, no=93, id=90, vol=5.160000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HG2) 3.912 1.913 1.913 weight 1.000 ! spec=3D Nnoesy, no=94, id=91, vol=2.520000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=95, id=92, vol=5.590000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=3D Nnoesy, no=96, id=93, vol=9.970000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 2.855 1.019 1.019 weight 1.000 ! spec=3D Nnoesy, no=97, id=94, vol=5.980000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.585 0.835 0.835 weight 1.000 ! spec=3D Nnoesy, no=98, id=95, vol=9.800000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=3D Nnoesy, no=99, id=96, vol=6.030000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB1) 2.723 0.927 0.927 weight 1.000 ! spec=3D Nnoesy, no=100, id=97, vol=7.900000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HB) 3.647 1.662 1.662 weight 1.000 ! spec=3D Nnoesy, no=101, id=98, vol=1.790000e+08
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 2.555 0.816 0.816 weight 1.000 ! spec=3D Nnoesy, no=102, id=99, vol=1.130000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HB2) 3.933 1.933 1.933 weight 1.000 ! spec=3D Nnoesy, no=103, id=100, vol=2.760000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HB1) 3.256 1.325 1.325 weight 1.000 ! spec=3D Nnoesy, no=104, id=101, vol=4.250000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   16 and name   HA) 3.571 1.594 1.594 weight 1.000 ! spec=3D Nnoesy, no=105, id=102, vol=2.290000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   18 and name   HN) 3.701 1.712 1.712 weight 1.000 ! spec=3D Nnoesy, no=106, id=103, vol=2.520000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HA) 2.885 1.041 1.041 weight 1.000 ! spec=3D Nnoesy, no=107, id=104, vol=6.440000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB2) 3.841 1.844 1.844 weight 1.000 ! spec=3D Nnoesy, no=108, id=105, vol=2.490000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB1) 3.819 1.823 1.823 weight 1.000 ! spec=3D Nnoesy, no=109, id=106, vol=1.250000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.888 1.042 1.042 weight 1.000 ! spec=3D Nnoesy, no=111, id=108, vol=6.440000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HB) 2.459 0.756 0.756 weight 1.000 ! spec=3D Nnoesy, no=112, id=109, vol=1.660000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HG12) 2.901 1.052 1.052 weight 1.000 ! spec=3D Nnoesy, no=113, id=110, vol=7.630000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HG11) 3.171 1.257 1.257 weight 1.000 ! spec=3D Nnoesy, no=114, id=111, vol=5.070000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HG21) 2.849 1.049 3.151 weight 1.000 ! spec=3D Nnoesy, no=115, id=112, vol=1.000000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name   HN) 3.432 1.472 1.472 weight 1.000 ! spec=3D Nnoesy, no=116, id=113, vol=2.180000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 2.283 0.651 0.651 weight 1.000 ! spec=3D Nnoesy, no=117, id=114, vol=2.570000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HB) 3.513 1.543 1.543 weight 1.000 ! spec=3D Nnoesy, no=118, id=115, vol=2.070000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name HG21) 2.756 0.950 0.950 weight 1.000 ! spec=3D Nnoesy, no=119, id=116, vol=8.660000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB1) 2.397 0.597 3.603 weight 1.000 ! spec=3D Nnoesy, no=121, id=118, vol=1.860000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HA) 2.347 0.689 0.689 weight 1.000 ! spec=3D Nnoesy, no=123, id=120, vol=2.860000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB1) 2.997 1.123 1.123 weight 1.000 ! spec=3D Nnoesy, no=124, id=121, vol=6.890000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 3.596 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=125, id=122, vol=8.239000e+00
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB1) 2.680 0.898 0.898 weight 1.000 ! spec=3D Nnoesy, no=126, id=123, vol=1.400000e+08
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   19 and name  HB1) 3.228 1.303 1.303 weight 1.000 ! spec=3D Nnoesy, no=128, id=125, vol=4.850000e+07
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   21 and name   HA) 3.838 1.841 1.841 weight 1.000 ! spec=3D Nnoesy, no=129, id=126, vol=3.610000e+07
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   21 and name  HB2) 3.120 1.217 1.217 weight 1.000 ! spec=3D Nnoesy, no=130, id=127, vol=5.690000e+07
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   21 and name  HB1) 2.987 1.116 1.116 weight 1.000 ! spec=3D Nnoesy, no=131, id=128, vol=7.240000e+07
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   19 and name  HB1) 3.150 1.240 1.240 weight 1.000 ! spec=3D Nnoesy, no=132, id=129, vol=6.690000e+07
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   21 and name   HA) 4.110 2.112 2.112 weight 1.000 ! spec=3D Nnoesy, no=133, id=130, vol=7.700000e+07
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   21 and name  HB2) 3.262 1.330 1.330 weight 1.000 ! spec=3D Nnoesy, no=134, id=131, vol=2.780000e+07
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   21 and name  HB1) 3.128 1.223 1.223 weight 1.000 ! spec=3D Nnoesy, no=135, id=132, vol=3.690000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name  HB1) 3.258 1.327 1.327 weight 1.000 ! spec=3D Nnoesy, no=136, id=133, vol=8.200000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HA) 2.290 0.655 0.655 weight 1.000 ! spec=3D Nnoesy, no=137, id=134, vol=2.310000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB1) 3.029 1.147 1.147 weight 1.000 ! spec=3D Nnoesy, no=138, id=135, vol=2.080000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 3.475 1.509 1.509 weight 1.000 ! spec=3D Nnoesy, no=139, id=136, vol=2.070000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.883 1.039 1.039 weight 1.000 ! spec=3D Nnoesy, no=140, id=137, vol=7.530000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB2) 3.218 1.295 1.295 weight 1.000 ! spec=3D Nnoesy, no=141, id=138, vol=4.250000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB1) 3.093 1.196 1.196 weight 1.000 ! spec=3D Nnoesy, no=142, id=139, vol=4.910000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 3.641 1.657 1.657 weight 1.000 ! spec=3D Nnoesy, no=143, id=140, vol=1.670000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   24 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=3D Nnoesy, no=144, id=141, vol=1.670000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   24 and name  HB2) 2.756 0.950 0.950 weight 1.000 ! spec=3D Nnoesy, no=145, id=142, vol=1.010000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   24 and name  HB1) 2.924 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=146, id=143, vol=6.600000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   24 and name HD11) 2.877 1.035 1.035 weight 1.000 ! spec=3D Nnoesy, no=147, id=144, vol=6.630000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   39 and name HD11) 3.575 1.598 1.598 weight 1.000 ! spec=3D Nnoesy, no=149, id=146, vol=7.470000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=3D Nnoesy, no=150, id=147, vol=1.370000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 2.530 0.800 0.800 weight 1.000 ! spec=3D Nnoesy, no=151, id=148, vol=1.290000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1) 2.859 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=152, id=149, vol=6.650000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 2.864 1.025 1.025 weight 1.000 ! spec=3D Nnoesy, no=154, id=151, vol=6.050000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HG2) 3.098 1.298 2.902 weight 1.000 ! spec=3D Nnoesy, no=155, id=152, vol=3.440000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name   HA) 3.630 1.647 1.647 weight 1.000 ! spec=3D Nnoesy, no=157, id=154, vol=1.180000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name  HB2) 3.174 1.259 1.259 weight 1.000 ! spec=3D Nnoesy, no=158, id=155, vol=2.610000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name  HB1) 3.591 1.612 1.612 weight 1.000 ! spec=3D Nnoesy, no=159, id=156, vol=1.500000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name HD22) 3.444 1.483 1.483 weight 1.000 ! spec=3D Nnoesy, no=160, id=157, vol=1.580000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name   HN) 3.579 1.601 1.601 weight 1.000 ! spec=3D Nnoesy, no=161, id=158, vol=7.199000e+00
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name  HB1) 2.572 0.827 0.827 weight 1.000 ! spec=3D Nnoesy, no=162, id=159, vol=7.670000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name  HG2) 3.294 1.356 1.356 weight 1.000 ! spec=3D Nnoesy, no=163, id=160, vol=2.490000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 2.686 0.902 0.902 weight 1.000 ! spec=3D Nnoesy, no=164, id=161, vol=3.870000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=3D Nnoesy, no=165, id=162, vol=1.310000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HB1) 2.058 0.529 0.529 weight 1.000 ! spec=3D Nnoesy, no=166, id=163, vol=2.630000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   20 and name   HA) 3.728 1.737 1.737 weight 1.000 ! spec=3D Nnoesy, no=167, id=164, vol=1.920000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   21 and name   HA) 3.756 1.763 1.763 weight 1.000 ! spec=3D Nnoesy, no=168, id=165, vol=9.430000e+06
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   21 and name HD22) 3.717 1.727 1.727 weight 1.000 ! spec=3D Nnoesy, no=169, id=166, vol=7.530000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   24 and name   HN) 2.987 1.115 1.115 weight 1.000 ! spec=3D Nnoesy, no=170, id=167, vol=7.201000e+00
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HB1) 2.425 0.625 3.575 weight 1.000 ! spec=3D Nnoesy, no=171, id=168, vol=1.460000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=3D Nnoesy, no=172, id=169, vol=7.786000e+00
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name   HA) 2.504 0.784 0.784 weight 1.000 ! spec=3D Nnoesy, no=173, id=170, vol=1.280000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB2) 2.337 0.683 0.683 weight 1.000 ! spec=3D Nnoesy, no=174, id=171, vol=1.780000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB1) 2.353 0.692 0.692 weight 1.000 ! spec=3D Nnoesy, no=175, id=172, vol=1.700000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name HD21) 2.804 1.004 3.196 weight 1.000 ! spec=3D Nnoesy, no=176, id=173, vol=5.130000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name   HN) 2.301 0.662 0.662 weight 1.000 ! spec=3D Nnoesy, no=177, id=174, vol=7.575000e+00
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   22 and name   HA) 2.811 0.988 0.988 weight 1.000 ! spec=3D Nnoesy, no=178, id=175, vol=4.710000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HB2) 2.696 0.909 0.909 weight 1.000 ! spec=3D Nnoesy, no=179, id=176, vol=9.550000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name HD21) 3.180 1.264 1.264 weight 1.000 ! spec=3D Nnoesy, no=180, id=177, vol=6.110000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HG) 3.232 1.306 1.306 weight 1.000 ! spec=3D Nnoesy, no=181, id=178, vol=3.070000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=3D Nnoesy, no=183, id=180, vol=8.220000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB2) 2.579 0.832 0.832 weight 1.000 ! spec=3D Nnoesy, no=184, id=181, vol=1.320000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB1) 2.410 0.726 0.726 weight 1.000 ! spec=3D Nnoesy, no=185, id=182, vol=1.920000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HG2) 3.266 1.333 1.333 weight 1.000 ! spec=3D Nnoesy, no=186, id=183, vol=3.270000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG11) 3.760 1.767 1.767 weight 1.000 ! spec=3D Nnoesy, no=187, id=184, vol=1.310000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   39 and name HD11) 3.321 1.379 1.379 weight 1.000 ! spec=3D Nnoesy, no=189, id=186, vol=2.520000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   23 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=3D Nnoesy, no=190, id=187, vol=6.330000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB2) 2.567 0.823 0.823 weight 1.000 ! spec=3D Nnoesy, no=191, id=188, vol=4.540000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB1) 2.803 0.982 0.982 weight 1.000 ! spec=3D Nnoesy, no=192, id=189, vol=6.940000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HG1) 3.144 1.235 1.235 weight 1.000 ! spec=3D Nnoesy, no=193, id=190, vol=9.760000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.762 0.953 0.953 weight 1.000 ! spec=3D Nnoesy, no=194, id=191, vol=7.567000e+00
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 2.544 0.809 0.809 weight 1.000 ! spec=3D Nnoesy, no=195, id=192, vol=1.000000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HB) 2.266 0.466 3.734 weight 1.000 ! spec=3D Nnoesy, no=196, id=193, vol=3.030000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG11) 2.306 0.664 0.664 weight 1.000 ! spec=3D Nnoesy, no=197, id=194, vol=1.600000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG21) 2.767 0.957 0.957 weight 1.000 ! spec=3D Nnoesy, no=198, id=195, vol=6.120000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 2.581 0.833 0.833 weight 1.000 ! spec=3D Nnoesy, no=199, id=196, vol=7.497000e+00
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   28 and name   HN) 3.702 1.713 1.713 weight 1.000 ! spec=3D Nnoesy, no=200, id=197, vol=8.080000e+06
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   24 and name   HA) 2.983 1.112 1.112 weight 1.000 ! spec=3D Nnoesy, no=201, id=198, vol=2.430000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HA) 3.082 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=202, id=199, vol=3.600000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HB) 2.540 0.740 3.460 weight 1.000 ! spec=3D Nnoesy, no=203, id=200, vol=5.060000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG11) 3.125 1.221 1.221 weight 1.000 ! spec=3D Nnoesy, no=204, id=201, vol=3.190000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG21) 2.889 1.043 1.043 weight 1.000 ! spec=3D Nnoesy, no=205, id=202, vol=3.980000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.555 0.816 0.816 weight 1.000 ! spec=3D Nnoesy, no=207, id=204, vol=1.660000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB2) 2.338 0.683 0.683 weight 1.000 ! spec=3D Nnoesy, no=208, id=205, vol=4.320000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HD2) 3.581 1.603 1.603 weight 1.000 ! spec=3D Nnoesy, no=209, id=206, vol=1.460000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HG2) 2.673 0.893 0.893 weight 1.000 ! spec=3D Nnoesy, no=210, id=207, vol=8.390000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   24 and name   HG) 3.407 1.451 1.451 weight 1.000 ! spec=3D Nnoesy, no=212, id=209, vol=2.660000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   25 and name   HA) 3.007 1.130 1.130 weight 1.000 ! spec=3D Nnoesy, no=213, id=210, vol=5.090000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=3D Nnoesy, no=214, id=211, vol=2.460000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HD2) 3.682 1.695 1.695 weight 1.000 ! spec=3D Nnoesy, no=215, id=212, vol=2.260000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HG2) 3.010 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=216, id=213, vol=4.420000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.535 0.803 0.803 weight 1.000 ! spec=3D Nnoesy, no=217, id=214, vol=1.030000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=3D Nnoesy, no=218, id=215, vol=1.010000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.300 0.661 0.661 weight 1.000 ! spec=3D Nnoesy, no=219, id=216, vol=6.520000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB1) 2.677 0.896 0.896 weight 1.000 ! spec=3D Nnoesy, no=220, id=217, vol=7.560000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name HD11) 3.045 1.159 1.159 weight 1.000 ! spec=3D Nnoesy, no=221, id=218, vol=9.190000e+09
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name HD21) 2.919 1.065 1.065 weight 1.000 ! spec=3D Nnoesy, no=222, id=219, vol=1.720000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HG) 2.407 0.724 0.724 weight 1.000 ! spec=3D Nnoesy, no=223, id=220, vol=5.330000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name   HN) 2.487 0.773 0.773 weight 1.000 ! spec=3D Nnoesy, no=224, id=221, vol=8.132000e+00
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   30 and name   HN) 3.419 1.461 1.461 weight 1.000 ! spec=3D Nnoesy, no=225, id=222, vol=3.670000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   26 and name   HA) 2.892 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=226, id=223, vol=4.740000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   27 and name   HA) 3.704 1.715 1.715 weight 1.000 ! spec=3D Nnoesy, no=227, id=224, vol=4.510000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Nnoesy, no=228, id=225, vol=6.950000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB1) 2.938 1.079 1.079 weight 1.000 ! spec=3D Nnoesy, no=229, id=226, vol=4.510000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HA) 2.524 0.797 0.797 weight 1.000 ! spec=3D Nnoesy, no=231, id=228, vol=3.410000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB2) 2.352 0.692 0.692 weight 1.000 ! spec=3D Nnoesy, no=232, id=229, vol=1.820000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB1) 2.614 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=233, id=230, vol=8.510000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name HD21) 2.620 0.820 3.380 weight 1.000 ! spec=3D Nnoesy, no=234, id=231, vol=1.530000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HG) 2.461 0.757 0.757 weight 1.000 ! spec=3D Nnoesy, no=235, id=232, vol=1.430000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=236, id=233, vol=7.369000e+00
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   31 and name   HN) 3.352 1.405 1.405 weight 1.000 ! spec=3D Nnoesy, no=237, id=234, vol=7.621000e+00
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   26 and name   HA) 3.695 1.707 1.707 weight 1.000 ! spec=3D Nnoesy, no=238, id=235, vol=1.350000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   27 and name   HA) 3.116 1.214 1.214 weight 1.000 ! spec=3D Nnoesy, no=239, id=236, vol=2.460000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   28 and name  HB1) 3.868 1.870 1.870 weight 1.000 ! spec=3D Nnoesy, no=240, id=237, vol=1.800000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name   HA) 2.936 1.078 1.078 weight 1.000 ! spec=3D Nnoesy, no=242, id=239, vol=6.440000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB2) 3.053 1.165 1.165 weight 1.000 ! spec=3D Nnoesy, no=243, id=240, vol=5.660000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB1) 3.237 1.310 1.310 weight 1.000 ! spec=3D Nnoesy, no=244, id=241, vol=7.290000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name   HG) 3.596 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=245, id=242, vol=1.030000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA) 2.618 0.857 0.857 weight 1.000 ! spec=3D Nnoesy, no=247, id=244, vol=1.250000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB1) 2.453 0.752 0.752 weight 1.000 ! spec=3D Nnoesy, no=248, id=245, vol=2.530000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HG2) 2.705 0.915 0.915 weight 1.000 ! spec=3D Nnoesy, no=249, id=246, vol=8.470000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HG1) 3.080 1.186 1.186 weight 1.000 ! spec=3D Nnoesy, no=250, id=247, vol=2.950000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB1) 3.236 1.309 1.309 weight 1.000 ! spec=3D Nnoesy, no=252, id=249, vol=9.930000e+09
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HG2) 3.861 1.863 1.863 weight 1.000 ! spec=3D Nnoesy, no=253, id=250, vol=8.520000e+06
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=3D Nnoesy, no=254, id=251, vol=7.370000e+00
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 2.631 0.865 0.865 weight 1.000 ! spec=3D Nnoesy, no=255, id=252, vol=1.730000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HB) 2.247 0.631 0.631 weight 1.000 ! spec=3D Nnoesy, no=256, id=253, vol=2.240000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HG21) 2.960 1.160 3.040 weight 1.000 ! spec=3D Nnoesy, no=257, id=254, vol=4.570000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   34 and name   HB) 3.110 1.209 1.209 weight 1.000 ! spec=3D Nnoesy, no=259, id=256, vol=4.210000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   34 and name HG11) 2.863 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=260, id=257, vol=6.350000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 1.900 0.451 0.451 weight 1.000 ! spec=3D Nnoesy, no=261, id=258, vol=4.510000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HB) 3.101 1.202 1.202 weight 1.000 ! spec=3D Nnoesy, no=262, id=259, vol=2.860000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG21) 2.440 0.744 0.744 weight 1.000 ! spec=3D Nnoesy, no=263, id=260, vol=1.030000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name   HN) 3.438 1.478 1.478 weight 1.000 ! spec=3D Nnoesy, no=264, id=261, vol=2.280000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB2) 2.249 0.632 0.632 weight 1.000 ! spec=3D Nnoesy, no=265, id=262, vol=4.050000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB1) 2.408 0.725 0.725 weight 1.000 ! spec=3D Nnoesy, no=266, id=263, vol=4.910000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HG2) 2.864 1.064 3.136 weight 1.000 ! spec=3D Nnoesy, no=267, id=264, vol=4.180000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HA) 2.043 0.522 0.522 weight 1.000 ! spec=3D Nnoesy, no=268, id=265, vol=4.350000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB2) 3.277 1.342 1.342 weight 1.000 ! spec=3D Nnoesy, no=269, id=266, vol=1.100000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB1) 3.270 1.337 1.337 weight 1.000 ! spec=3D Nnoesy, no=270, id=267, vol=1.160000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HG2) 2.950 1.088 1.088 weight 1.000 ! spec=3D Nnoesy, no=271, id=268, vol=5.760000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HN) 3.333 1.389 1.389 weight 1.000 ! spec=3D Nnoesy, no=272, id=269, vol=2.750000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name  HA2) 2.630 0.864 0.864 weight 1.000 ! spec=3D Nnoesy, no=273, id=270, vol=1.120000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name  HA1) 2.411 0.727 0.727 weight 1.000 ! spec=3D Nnoesy, no=274, id=271, vol=1.910000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   34 and name   HN) 2.592 0.840 0.840 weight 1.000 ! spec=3D Nnoesy, no=275, id=272, vol=1.080000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   32 and name   HN) 3.726 1.736 1.736 weight 1.000 ! spec=3D Nnoesy, no=276, id=273, vol=1.670000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HA2) 2.913 1.060 1.060 weight 1.000 ! spec=3D Nnoesy, no=277, id=274, vol=7.440000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HA1) 3.049 1.162 1.162 weight 1.000 ! spec=3D Nnoesy, no=278, id=275, vol=5.030000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=3D Nnoesy, no=280, id=277, vol=1.370000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HB) 2.228 0.428 3.772 weight 1.000 ! spec=3D Nnoesy, no=281, id=278, vol=2.680000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name HG11) 2.324 0.524 3.676 weight 1.000 ! spec=3D Nnoesy, no=282, id=279, vol=2.140000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   35 and name   HN) 3.746 1.754 1.754 weight 1.000 ! spec=3D Nnoesy, no=283, id=280, vol=1.510000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   50 and name   HA) 4.154 2.157 2.157 weight 1.000 ! spec=3D Nnoesy, no=284, id=281, vol=1.480000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HA) 2.318 0.672 0.672 weight 1.000 ! spec=3D Nnoesy, no=285, id=282, vol=2.690000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name HG11) 2.700 0.900 3.300 weight 1.000 ! spec=3D Nnoesy, no=286, id=283, vol=2.000000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 2.989 1.116 1.116 weight 1.000 ! spec=3D Nnoesy, no=288, id=285, vol=6.910000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB2) 3.014 1.136 1.136 weight 1.000 ! spec=3D Nnoesy, no=289, id=286, vol=5.950000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HD2) 3.305 1.365 1.365 weight 1.000 ! spec=3D Nnoesy, no=290, id=287, vol=5.160000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 2.521 0.794 0.794 weight 1.000 ! spec=3D Nnoesy, no=291, id=288, vol=2.260000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   37 and name HG21) 3.162 1.362 2.838 weight 1.000 ! spec=3D Nnoesy, no=293, id=290, vol=3.010000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   49 and name   HN) 3.593 1.614 1.614 weight 1.000 ! spec=3D Nnoesy, no=294, id=291, vol=3.270000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   50 and name   HA) 2.878 1.035 1.035 weight 1.000 ! spec=3D Nnoesy, no=295, id=292, vol=8.280000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   29 and name HD21) 2.881 1.037 1.037 weight 1.000 ! spec=3D Nnoesy, no=296, id=293, vol=2.210000e+09
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=3D Nnoesy, no=297, id=294, vol=4.830000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name HG11) 2.571 0.771 3.429 weight 1.000 ! spec=3D Nnoesy, no=298, id=295, vol=1.240000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 3.206 1.285 1.285 weight 1.000 ! spec=3D Nnoesy, no=299, id=296, vol=2.880000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=300, id=297, vol=1.360000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   36 and name   HN) 2.388 0.713 0.713 weight 1.000 ! spec=3D Nnoesy, no=301, id=298, vol=1.700000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.802 0.981 0.981 weight 1.000 ! spec=3D Nnoesy, no=302, id=299, vol=1.480000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 3.285 1.349 1.349 weight 1.000 ! spec=3D Nnoesy, no=303, id=300, vol=1.210000e+10
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB1) 2.678 0.896 0.896 weight 1.000 ! spec=3D Nnoesy, no=304, id=301, vol=7.410000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HG2) 3.290 1.353 1.353 weight 1.000 ! spec=3D Nnoesy, no=305, id=302, vol=3.670000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name   HN) 3.320 1.378 1.378 weight 1.000 ! spec=3D Nnoesy, no=306, id=303, vol=3.390000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   48 and name   HA) 3.649 1.664 1.664 weight 1.000 ! spec=3D Nnoesy, no=307, id=304, vol=6.300000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   49 and name  HB2) 2.666 0.888 0.888 weight 1.000 ! spec=3D Nnoesy, no=308, id=305, vol=1.400000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   49 and name   HN) 2.849 1.015 1.015 weight 1.000 ! spec=3D Nnoesy, no=309, id=306, vol=1.450000e+09
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   50 and name   HA) 3.681 1.694 1.694 weight 1.000 ! spec=3D Nnoesy, no=310, id=307, vol=8.210000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   25 and name  HE2) 3.960 1.961 1.961 weight 1.000 ! spec=3D Nnoesy, no=311, id=308, vol=3.300000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=3D Nnoesy, no=312, id=309, vol=3.180000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HB2) 2.896 1.048 1.048 weight 1.000 ! spec=3D Nnoesy, no=313, id=310, vol=3.260000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HG2) 2.915 1.062 1.062 weight 1.000 ! spec=3D Nnoesy, no=314, id=311, vol=7.130000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=316, id=313, vol=3.960000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HB) 2.615 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=317, id=314, vol=1.660000e+09
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG21) 2.562 0.762 3.438 weight 1.000 ! spec=3D Nnoesy, no=318, id=315, vol=2.020000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 2.347 0.689 0.689 weight 1.000 ! spec=3D Nnoesy, no=320, id=317, vol=2.440000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG11) 2.633 0.867 0.867 weight 1.000 ! spec=3D Nnoesy, no=321, id=318, vol=1.720000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 3.399 1.444 1.444 weight 1.000 ! spec=3D Nnoesy, no=322, id=319, vol=3.040000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=323, id=320, vol=2.390000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB1) 2.925 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=324, id=321, vol=2.290000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name   HG) 3.509 1.539 1.539 weight 1.000 ! spec=3D Nnoesy, no=325, id=322, vol=2.180000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   47 and name   HA) 3.767 1.773 1.773 weight 1.000 ! spec=3D Nnoesy, no=326, id=323, vol=4.690000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   47 and name  HB2) 3.442 1.481 1.481 weight 1.000 ! spec=3D Nnoesy, no=327, id=324, vol=4.960000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   47 and name   HN) 3.173 1.258 1.258 weight 1.000 ! spec=3D Nnoesy, no=328, id=325, vol=5.180000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   48 and name   HA) 3.261 1.329 1.329 weight 1.000 ! spec=3D Nnoesy, no=329, id=326, vol=3.060000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   49 and name   HN) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=330, id=327, vol=2.340000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HA) 4.247 2.254 2.254 weight 1.000 ! spec=3D Nnoesy, no=331, id=328, vol=5.460000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HB) 3.406 1.450 1.450 weight 1.000 ! spec=3D Nnoesy, no=332, id=329, vol=6.750000e+09
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name HG11) 3.753 1.761 1.761 weight 1.000 ! spec=3D Nnoesy, no=333, id=330, vol=1.030000e+09
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   14 and name HD11) 3.957 1.958 1.958 weight 1.000 ! spec=3D Nnoesy, no=334, id=331, vol=2.810000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 2.255 0.635 0.635 weight 1.000 ! spec=3D Nnoesy, no=335, id=332, vol=2.950000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HB) 3.409 1.452 1.452 weight 1.000 ! spec=3D Nnoesy, no=336, id=333, vol=2.780000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name HG21) 2.769 0.958 0.958 weight 1.000 ! spec=3D Nnoesy, no=337, id=334, vol=1.130000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name   HA) 2.924 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=338, id=335, vol=5.980000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB1) 2.502 0.783 0.783 weight 1.000 ! spec=3D Nnoesy, no=339, id=336, vol=1.620000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   45 and name  HB2) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=341, id=338, vol=1.670000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   46 and name   HA) 2.936 1.078 1.078 weight 1.000 ! spec=3D Nnoesy, no=343, id=340, vol=6.880000e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name   HA) 2.309 0.667 0.667 weight 1.000 ! spec=3D Nnoesy, no=345, id=342, vol=2.490000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name   HN) 3.140 1.233 1.233 weight 1.000 ! spec=3D Nnoesy, no=346, id=343, vol=7.080000e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name   HA) 2.804 0.983 0.983 weight 1.000 ! spec=3D Nnoesy, no=347, id=344, vol=9.360000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB2) 2.500 0.781 0.781 weight 1.000 ! spec=3D Nnoesy, no=348, id=345, vol=1.520000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HG2) 2.930 1.073 1.073 weight 1.000 ! spec=3D Nnoesy, no=349, id=346, vol=6.860000e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   42 and name   HN) 3.316 1.374 1.374 weight 1.000 ! spec=3D Nnoesy, no=350, id=347, vol=2.700000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   40 and name  HB1) 4.058 2.058 2.058 weight 1.000 ! spec=3D Nnoesy, no=351, id=348, vol=2.490000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HA) 3.738 1.747 1.747 weight 1.000 ! spec=3D Nnoesy, no=352, id=349, vol=1.520000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name   HA) 3.233 1.306 1.306 weight 1.000 ! spec=3D Nnoesy, no=354, id=351, vol=4.300000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB2) 2.738 0.937 0.937 weight 1.000 ! spec=3D Nnoesy, no=355, id=352, vol=1.190000e+08
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HG1) 3.463 1.499 1.499 weight 1.000 ! spec=3D Nnoesy, no=356, id=353, vol=2.800000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   40 and name  HB1) 2.986 1.115 1.115 weight 1.000 ! spec=3D Nnoesy, no=358, id=355, vol=5.190000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   41 and name   HA) 3.161 1.249 1.249 weight 1.000 ! spec=3D Nnoesy, no=359, id=356, vol=3.750000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   41 and name   HN) 4.164 2.167 2.167 weight 1.000 ! spec=3D Nnoesy, no=360, id=357, vol=6.000000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 3.126 1.221 1.221 weight 1.000 ! spec=3D Nnoesy, no=361, id=358, vol=3.430000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name   HN) 2.950 1.088 1.088 weight 1.000 ! spec=3D Nnoesy, no=362, id=359, vol=6.230000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=363, id=360, vol=6.470000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB2) 2.776 0.963 0.963 weight 1.000 ! spec=3D Nnoesy, no=364, id=361, vol=3.220000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=365, id=362, vol=3.590000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   44 and name   HN) 2.395 0.717 0.717 weight 1.000 ! spec=3D Nnoesy, no=366, id=363, vol=1.790000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   20 and name  HB1) 4.036 2.036 2.036 weight 1.000 ! spec=3D Nnoesy, no=368, id=365, vol=4.550000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   40 and name  HB1) 3.595 1.616 1.616 weight 1.000 ! spec=3D Nnoesy, no=369, id=366, vol=2.310000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name   HA) 3.785 1.791 1.791 weight 1.000 ! spec=3D Nnoesy, no=370, id=367, vol=2.810000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name   HN) 4.012 2.012 2.012 weight 1.000 ! spec=3D Nnoesy, no=371, id=368, vol=1.210000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 3.213 1.290 1.290 weight 1.000 ! spec=3D Nnoesy, no=372, id=369, vol=3.860000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HB2) 3.489 1.522 1.522 weight 1.000 ! spec=3D Nnoesy, no=373, id=370, vol=1.250000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HB1) 3.341 1.395 1.395 weight 1.000 ! spec=3D Nnoesy, no=374, id=371, vol=1.170000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name   HA) 2.320 0.673 0.673 weight 1.000 ! spec=3D Nnoesy, no=376, id=373, vol=2.330000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB2) 3.112 1.210 1.210 weight 1.000 ! spec=3D Nnoesy, no=377, id=374, vol=5.110000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB1) 3.072 1.179 1.179 weight 1.000 ! spec=3D Nnoesy, no=378, id=375, vol=4.650000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   14 and name HD11) 3.377 1.425 1.425 weight 1.000 ! spec=3D Nnoesy, no=380, id=377, vol=3.040000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   40 and name  HB1) 2.863 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=382, id=379, vol=7.770000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   45 and name   HN) 3.331 1.387 1.387 weight 1.000 ! spec=3D Nnoesy, no=383, id=380, vol=3.140000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   43 and name  HB2) 3.338 1.393 1.393 weight 1.000 ! spec=3D Nnoesy, no=384, id=381, vol=5.770000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   43 and name  HB1) 3.123 1.219 1.219 weight 1.000 ! spec=3D Nnoesy, no=385, id=382, vol=4.720000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   45 and name   HN) 3.301 1.362 1.362 weight 1.000 ! spec=3D Nnoesy, no=386, id=383, vol=3.560000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HA) 2.466 0.760 0.760 weight 1.000 ! spec=3D Nnoesy, no=387, id=384, vol=1.670000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB2) 3.527 1.555 1.555 weight 1.000 ! spec=3D Nnoesy, no=388, id=385, vol=4.120000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB1) 3.548 1.573 1.573 weight 1.000 ! spec=3D Nnoesy, no=389, id=386, vol=1.940000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name   HN) 2.687 0.902 0.902 weight 1.000 ! spec=3D Nnoesy, no=390, id=387, vol=9.290000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HA) 2.859 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=391, id=388, vol=6.980000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HB2) 2.689 0.904 0.904 weight 1.000 ! spec=3D Nnoesy, no=392, id=389, vol=1.030000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   46 and name   HN) 3.707 1.718 1.718 weight 1.000 ! spec=3D Nnoesy, no=393, id=390, vol=1.640000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   11 and name   HA) 3.983 1.983 1.983 weight 1.000 ! spec=3D Nnoesy, no=394, id=391, vol=2.380000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   11 and name  HG1) 3.731 1.740 1.740 weight 1.000 ! spec=3D Nnoesy, no=395, id=392, vol=1.190000e+09
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   12 and name   HA) 3.258 1.326 1.326 weight 1.000 ! spec=3D Nnoesy, no=396, id=393, vol=4.240000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   12 and name   HB) 3.313 1.372 1.372 weight 1.000 ! spec=3D Nnoesy, no=397, id=394, vol=4.120000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   14 and name HD11) 3.441 1.480 1.480 weight 1.000 ! spec=3D Nnoesy, no=399, id=396, vol=2.060000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   14 and name HG12) 3.151 1.241 1.241 weight 1.000 ! spec=3D Nnoesy, no=400, id=397, vol=4.880000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   46 and name   HN) 3.593 1.614 1.614 weight 1.000 ! spec=3D Nnoesy, no=401, id=398, vol=2.150000e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.356 0.694 0.694 weight 1.000 ! spec=3D Nnoesy, no=402, id=399, vol=2.420000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HB2) 2.672 0.893 0.893 weight 1.000 ! spec=3D Nnoesy, no=403, id=400, vol=1.190000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB1) 2.664 0.887 0.887 weight 1.000 ! spec=3D Nnoesy, no=405, id=402, vol=1.160000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   38 and name  HB2) 3.737 1.746 1.746 weight 1.000 ! spec=3D Nnoesy, no=406, id=403, vol=5.220000e+07
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   38 and name HD21) 3.349 1.402 1.402 weight 1.000 ! spec=3D Nnoesy, no=407, id=404, vol=2.460000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   39 and name   HA) 3.488 1.521 1.521 weight 1.000 ! spec=3D Nnoesy, no=409, id=406, vol=3.520000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   47 and name   HN) 3.893 1.894 1.894 weight 1.000 ! spec=3D Nnoesy, no=411, id=408, vol=2.170000e+07
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HA) 2.424 0.735 0.735 weight 1.000 ! spec=3D Nnoesy, no=412, id=409, vol=2.260000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HB1) 3.032 1.232 2.968 weight 1.000 ! spec=3D Nnoesy, no=413, id=410, vol=7.060000e+07
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HB2) 2.963 1.097 1.097 weight 1.000 ! spec=3D Nnoesy, no=414, id=411, vol=1.250000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HD2) 3.191 1.273 1.273 weight 1.000 ! spec=3D Nnoesy, no=415, id=412, vol=4.790000e+07
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   10 and name  HB2) 3.809 1.813 1.813 weight 1.000 ! spec=3D Nnoesy, no=416, id=413, vol=9.710000e+07
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   11 and name   HA) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=417, id=414, vol=3.170000e+07
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HA) 2.579 0.831 0.831 weight 1.000 ! spec=3D Nnoesy, no=418, id=415, vol=1.830000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HB1) 3.908 1.909 1.909 weight 1.000 ! spec=3D Nnoesy, no=419, id=416, vol=3.990000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HA) 3.547 1.572 1.572 weight 1.000 ! spec=3D Nnoesy, no=420, id=417, vol=4.600000e+07
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HB) 3.095 1.198 1.198 weight 1.000 ! spec=3D Nnoesy, no=421, id=418, vol=6.590000e+07
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name HG11) 3.693 1.705 1.705 weight 1.000 ! spec=3D Nnoesy, no=422, id=419, vol=5.680000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name HG21) 3.044 1.158 1.158 weight 1.000 ! spec=3D Nnoesy, no=423, id=420, vol=8.710000e+07
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   36 and name   HA) 3.983 1.983 1.983 weight 1.000 ! spec=3D Nnoesy, no=425, id=422, vol=2.010000e+07
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   36 and name  HB1) 3.528 1.556 1.556 weight 1.000 ! spec=3D Nnoesy, no=426, id=423, vol=2.070000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   37 and name   HA) 3.471 1.506 1.506 weight 1.000 ! spec=3D Nnoesy, no=428, id=425, vol=2.500000e+07
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HA) 2.276 0.648 0.648 weight 1.000 ! spec=3D Nnoesy, no=429, id=426, vol=2.940000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HB) 3.112 1.211 1.211 weight 1.000 ! spec=3D Nnoesy, no=430, id=427, vol=1.240000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name HG11) 2.833 1.003 1.003 weight 1.000 ! spec=3D Nnoesy, no=431, id=428, vol=4.260000e+09
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 3.081 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=432, id=429, vol=7.160000e+07
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB2) 2.618 0.857 0.857 weight 1.000 ! spec=3D Nnoesy, no=433, id=430, vol=1.860000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HD1) 3.169 1.256 1.256 weight 1.000 ! spec=3D Nnoesy, no=434, id=431, vol=3.460000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HG1) 3.574 1.596 1.596 weight 1.000 ! spec=3D Nnoesy, no=435, id=432, vol=6.080000e+09
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid    8 and name   HN) 3.827 1.831 1.831 weight 1.000 ! spec=3D Nnoesy, no=437, id=434, vol=8.489000e+00
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=3D Nnoesy, no=438, id=435, vol=2.330000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 3.853 1.856 1.856 weight 1.000 ! spec=3D Nnoesy, no=439, id=436, vol=8.619000e+00
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HA) 3.278 1.344 1.344 weight 1.000 ! spec=3D Nnoesy, no=440, id=437, vol=5.440000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HB) 3.156 1.245 1.245 weight 1.000 ! spec=3D Nnoesy, no=441, id=438, vol=8.720000e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HD11) 3.586 1.607 1.607 weight 1.000 ! spec=3D Nnoesy, no=442, id=439, vol=3.190000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG12) 3.227 1.302 1.302 weight 1.000 ! spec=3D Nnoesy, no=443, id=440, vol=1.690000e+09
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG11) 2.976 1.107 1.107 weight 1.000 ! spec=3D Nnoesy, no=444, id=441, vol=2.440000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG21) 3.229 1.303 1.303 weight 1.000 ! spec=3D Nnoesy, no=445, id=442, vol=2.480000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   33 and name  HA1) 3.724 1.734 1.734 weight 1.000 ! spec=3D Nnoesy, no=446, id=443, vol=1.960000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   34 and name   HA) 3.375 1.424 1.424 weight 1.000 ! spec=3D Nnoesy, no=447, id=444, vol=5.670000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   35 and name  HG2) 3.287 1.350 1.350 weight 1.000 ! spec=3D Nnoesy, no=448, id=445, vol=5.940000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   35 and name   HN) 3.916 1.917 1.917 weight 1.000 ! spec=3D Nnoesy, no=449, id=446, vol=9.004000e+00
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 2.508 0.786 0.786 weight 1.000 ! spec=3D Nnoesy, no=450, id=447, vol=1.710000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HB) 2.766 0.957 0.957 weight 1.000 ! spec=3D Nnoesy, no=451, id=448, vol=1.270000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HD11) 3.607 1.626 1.626 weight 1.000 ! spec=3D Nnoesy, no=452, id=449, vol=2.090000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HG11) 3.427 1.468 1.468 weight 1.000 ! spec=3D Nnoesy, no=453, id=450, vol=1.880000e+09
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HG21) 3.272 1.338 1.338 weight 1.000 ! spec=3D Nnoesy, no=454, id=451, vol=1.020000e+09
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Nnoesy, no=455, id=452, vol=1.140000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB1) 2.831 1.002 1.002 weight 1.000 ! spec=3D Nnoesy, no=456, id=453, vol=9.630000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   55 and name HG21) 3.361 1.412 1.412 weight 1.000 ! spec=3D Nnoesy, no=457, id=454, vol=3.620000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid    6 and name  HB2) 3.789 1.794 1.794 weight 1.000 ! spec=3D Nnoesy, no=458, id=455, vol=1.360000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid    7 and name HG11) 3.635 1.652 1.652 weight 1.000 ! spec=3D Nnoesy, no=459, id=456, vol=1.490000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG12) 3.599 1.619 1.619 weight 1.000 ! spec=3D Nnoesy, no=460, id=457, vol=2.520000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HA) 2.416 0.730 0.730 weight 1.000 ! spec=3D Nnoesy, no=461, id=458, vol=1.820000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB2) 3.767 1.774 1.774 weight 1.000 ! spec=3D Nnoesy, no=462, id=459, vol=1.660000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB1) 3.673 1.686 1.686 weight 1.000 ! spec=3D Nnoesy, no=463, id=460, vol=2.090000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 2.806 0.984 0.984 weight 1.000 ! spec=3D Nnoesy, no=464, id=461, vol=7.240000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB2) 3.043 1.157 1.157 weight 1.000 ! spec=3D Nnoesy, no=465, id=462, vol=4.020000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB1) 2.911 1.060 1.060 weight 1.000 ! spec=3D Nnoesy, no=466, id=463, vol=6.110000e+07
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   54 and name   HN) 3.948 1.949 1.949 weight 1.000 ! spec=3D Nnoesy, no=467, id=464, vol=7.690000e+06
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid    6 and name  HB2) 3.801 1.806 1.806 weight 1.000 ! spec=3D Nnoesy, no=468, id=465, vol=6.170000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name   HA) 3.361 1.412 1.412 weight 1.000 ! spec=3D Nnoesy, no=469, id=466, vol=2.820000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name  HB2) 3.914 1.915 1.915 weight 1.000 ! spec=3D Nnoesy, no=470, id=467, vol=4.810000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=3D Nnoesy, no=471, id=468, vol=3.240000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB2) 3.396 1.441 1.441 weight 1.000 ! spec=3D Nnoesy, no=472, id=469, vol=2.560000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB1) 3.860 1.863 1.863 weight 1.000 ! spec=3D Nnoesy, no=473, id=470, vol=1.780000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name   HA) 2.806 0.984 0.984 weight 1.000 ! spec=3D Nnoesy, no=474, id=471, vol=7.110000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB2) 2.623 0.860 0.860 weight 1.000 ! spec=3D Nnoesy, no=475, id=472, vol=2.160000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB1) 2.941 1.081 1.081 weight 1.000 ! spec=3D Nnoesy, no=476, id=473, vol=3.230000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HD2) 3.664 1.678 1.678 weight 1.000 ! spec=3D Nnoesy, no=477, id=474, vol=1.460000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HG2) 2.917 1.064 1.064 weight 1.000 ! spec=3D Nnoesy, no=478, id=475, vol=9.280000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name HG11) 3.358 1.409 1.409 weight 1.000 ! spec=3D Nnoesy, no=479, id=476, vol=3.200000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name   HN) 2.448 0.749 0.749 weight 1.000 ! spec=3D Nnoesy, no=480, id=477, vol=1.460000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   55 and name   HN) 3.440 1.479 1.479 weight 1.000 ! spec=3D Nnoesy, no=481, id=478, vol=2.270000e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   51 and name  HB2) 3.523 1.551 1.551 weight 1.000 ! spec=3D Nnoesy, no=482, id=479, vol=3.680000e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   51 and name  HB1) 3.949 1.950 1.950 weight 1.000 ! spec=3D Nnoesy, no=483, id=480, vol=2.730000e+09
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   52 and name   HA) 3.442 1.481 1.481 weight 1.000 ! spec=3D Nnoesy, no=484, id=481, vol=2.840000e+09
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HA) 3.159 1.247 1.247 weight 1.000 ! spec=3D Nnoesy, no=485, id=482, vol=4.760000e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB2) 3.160 1.248 1.248 weight 1.000 ! spec=3D Nnoesy, no=486, id=483, vol=1.110000e+10
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name   HA) 2.798 0.979 0.979 weight 1.000 ! spec=3D Nnoesy, no=488, id=485, vol=8.660000e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name   HB) 2.587 0.836 0.836 weight 1.000 ! spec=3D Nnoesy, no=489, id=486, vol=1.420000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name HG11) 2.585 0.835 0.835 weight 1.000 ! spec=3D Nnoesy, no=490, id=487, vol=1.850000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name HG21) 3.612 1.631 1.631 weight 1.000 ! spec=3D Nnoesy, no=491, id=488, vol=2.340000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   51 and name  HB2) 4.066 2.067 2.067 weight 1.000 ! spec=3D Nnoesy, no=493, id=490, vol=5.700000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HA) 2.699 0.910 0.910 weight 1.000 ! spec=3D Nnoesy, no=495, id=492, vol=1.200000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HB) 2.973 1.105 1.105 weight 1.000 ! spec=3D Nnoesy, no=496, id=493, vol=6.360000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name HG11) 3.074 1.182 1.182 weight 1.000 ! spec=3D Nnoesy, no=497, id=494, vol=5.990000e+07
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name   HN) 2.431 0.739 0.739 weight 1.000 ! spec=3D Nnoesy, no=498, id=495, vol=1.800000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name   HA) 2.825 0.998 0.998 weight 1.000 ! spec=3D Nnoesy, no=499, id=496, vol=1.340000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name HG21) 2.720 0.925 0.925 weight 1.000 ! spec=3D Nnoesy, no=500, id=497, vol=8.610000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   56 and name   HN) 3.290 1.353 1.353 weight 1.000 ! spec=3D Nnoesy, no=501, id=498, vol=9.690000e+07
assign (segid "    " and resid   56 and name HD21) (segid "    " and resid   56 and name   HA) 4.089 2.090 2.090 weight 1.000 ! spec=3D Nnoesy, no=502, id=499, vol=1.750000e+07
assign (segid "    " and resid   56 and name HD21) (segid "    " and resid   56 and name  HB2) 2.994 1.120 1.120 weight 1.000 ! spec=3D Nnoesy, no=503, id=500, vol=1.150000e+08
assign (segid "    " and resid   56 and name HD21) (segid "    " and resid   59 and name  HB2) 4.149 2.152 2.152 weight 1.000 ! spec=3D Nnoesy, no=504, id=501, vol=8.260000e+06
assign (segid "    " and resid   56 and name HD21) (segid "    " and resid   59 and name  HG1) 3.828 1.831 1.831 weight 1.000 ! spec=3D Nnoesy, no=505, id=502, vol=1.870000e+07
assign (segid "    " and resid   56 and name HD22) (segid "    " and resid   56 and name   HA) 4.231 2.238 2.238 weight 1.000 ! spec=3D Nnoesy, no=506, id=503, vol=2.350000e+07
assign (segid "    " and resid   56 and name HD22) (segid "    " and resid   56 and name  HB2) 3.118 1.216 1.216 weight 1.000 ! spec=3D Nnoesy, no=507, id=504, vol=5.520000e+07
assign (segid "    " and resid   56 and name HD22) (segid "    " and resid   59 and name  HB2) 3.987 1.987 1.987 weight 1.000 ! spec=3D Nnoesy, no=508, id=505, vol=8.870000e+06
assign (segid "    " and resid   56 and name HD22) (segid "    " and resid   59 and name  HG1) 3.739 1.748 1.748 weight 1.000 ! spec=3D Nnoesy, no=509, id=506, vol=2.660000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   50 and name HD11) 3.841 1.844 1.844 weight 1.000 ! spec=3D Nnoesy, no=510, id=507, vol=1.960000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HA) 2.786 0.970 0.970 weight 1.000 ! spec=3D Nnoesy, no=511, id=508, vol=9.000000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HB) 3.503 1.534 1.534 weight 1.000 ! spec=3D Nnoesy, no=512, id=509, vol=2.740000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name HG21) 3.050 1.163 1.163 weight 1.000 ! spec=3D Nnoesy, no=513, id=510, vol=8.030000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HA) 2.941 1.081 1.081 weight 1.000 ! spec=3D Nnoesy, no=515, id=512, vol=2.450000e+08
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name  HB2) 3.266 1.333 1.333 weight 1.000 ! spec=3D Nnoesy, no=516, id=513, vol=6.590000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   59 and name  HB2) 3.033 1.150 1.150 weight 1.000 ! spec=3D Nnoesy, no=517, id=514, vol=8.430000e+07
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   59 and name   HN) 3.597 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=518, id=515, vol=2.700000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   50 and name HD11) 3.603 1.623 1.623 weight 1.000 ! spec=3D Nnoesy, no=520, id=517, vol=1.730000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   50 and name HG11) 3.931 1.931 1.931 weight 1.000 ! spec=3D Nnoesy, no=521, id=518, vol=1.800000e+08
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   50 and name HG21) 3.702 1.902 2.298 weight 1.000 ! spec=3D Nnoesy, no=522, id=519, vol=1.080000e+08
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HA) 2.707 0.916 0.916 weight 1.000 ! spec=3D Nnoesy, no=523, id=520, vol=1.140000e+08
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name  HB1) 2.906 1.056 1.056 weight 1.000 ! spec=3D Nnoesy, no=524, id=521, vol=9.220000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name   HA) 3.035 1.151 1.151 weight 1.000 ! spec=3D Nnoesy, no=525, id=522, vol=4.500000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HB2) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=526, id=523, vol=7.950000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HB1) 2.880 1.037 1.037 weight 1.000 ! spec=3D Nnoesy, no=527, id=524, vol=2.550000e+08
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HG2) 3.597 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=528, id=525, vol=9.120000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HG1) 3.624 1.642 1.642 weight 1.000 ! spec=3D Nnoesy, no=529, id=526, vol=7.780000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   56 and name   HA) 3.429 1.469 1.469 weight 1.000 ! spec=3D Nnoesy, no=531, id=528, vol=4.765000e+00
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   56 and name  HB1) 3.076 1.183 1.183 weight 1.000 ! spec=3D Nnoesy, no=532, id=529, vol=6.130000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   56 and name HD22) 3.669 1.683 1.683 weight 1.000 ! spec=3D Nnoesy, no=533, id=530, vol=3.290000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name   HA) 3.010 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=534, id=531, vol=5.310000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HB2) 3.026 1.145 1.145 weight 1.000 ! spec=3D Nnoesy, no=535, id=532, vol=3.970000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HB1) 2.712 0.919 0.919 weight 1.000 ! spec=3D Nnoesy, no=536, id=533, vol=7.140000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HG2) 3.321 1.378 1.378 weight 1.000 ! spec=3D Nnoesy, no=537, id=534, vol=2.830000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HG1) 3.437 1.476 1.476 weight 1.000 ! spec=3D Nnoesy, no=538, id=535, vol=2.520000e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   58 and name   HN) 2.832 1.003 1.003 weight 1.000 ! spec=3D Nnoesy, no=539, id=536, vol=5.260000e+07
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HA) 2.557 0.818 0.818 weight 1.000 ! spec=3D Nnoesy, no=540, id=537, vol=1.030000e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.203 0.607 0.607 weight 1.000 ! spec=3D Nnoesy, no=541, id=538, vol=3.480000e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HD1) 3.131 1.331 2.869 weight 1.000 ! spec=3D Nnoesy, no=542, id=539, vol=7.278000e+00
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=3D Nnoesy, no=544, id=541, vol=6.000000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.509 0.787 0.787 weight 1.000 ! spec=3D Nnoesy, no=545, id=542, vol=2.520000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HG1) 2.775 0.963 0.963 weight 1.000 ! spec=3D Nnoesy, no=546, id=543, vol=1.230000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name   HN) 2.639 0.871 0.871 weight 1.000 ! spec=3D Nnoesy, no=547, id=544, vol=7.748000e+00
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   60 and name   HN) 3.643 1.659 1.659 weight 1.000 ! spec=3D Nnoesy, no=548, id=545, vol=1.320000e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   58 and name   HA) 4.099 2.101 2.101 weight 1.000 ! spec=3D Nnoesy, no=549, id=546, vol=3.880000e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HA) 3.208 1.286 1.286 weight 1.000 ! spec=3D Nnoesy, no=550, id=547, vol=2.170000e+09
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB2) 2.785 0.970 0.970 weight 1.000 ! spec=3D Nnoesy, no=551, id=548, vol=1.160000e+09
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HA) 2.549 0.812 0.812 weight 1.000 ! spec=3D Nnoesy, no=553, id=550, vol=1.100000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HB) 2.339 0.684 0.684 weight 1.000 ! spec=3D Nnoesy, no=554, id=551, vol=5.200000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG11) 2.491 0.776 0.776 weight 1.000 ! spec=3D Nnoesy, no=555, id=552, vol=1.590000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG21) 2.988 1.188 3.012 weight 1.000 ! spec=3D Nnoesy, no=556, id=553, vol=6.880000e+07
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   62 and name   HN) 3.559 1.583 1.583 weight 1.000 ! spec=3D Nnoesy, no=558, id=555, vol=1.350000e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   58 and name   HA) 3.278 1.344 1.344 weight 1.000 ! spec=3D Nnoesy, no=559, id=556, vol=3.330000e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   59 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=3D Nnoesy, no=560, id=557, vol=8.131000e+00
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG11) 3.383 1.431 1.431 weight 1.000 ! spec=3D Nnoesy, no=561, id=558, vol=3.270000e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG21) 2.910 1.059 1.059 weight 1.000 ! spec=3D Nnoesy, no=562, id=559, vol=1.100000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   61 and name   HN) 2.595 0.841 0.841 weight 1.000 ! spec=3D Nnoesy, no=563, id=560, vol=7.747000e+00
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=3D Nnoesy, no=564, id=561, vol=1.170000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB2) 2.385 0.711 0.711 weight 1.000 ! spec=3D Nnoesy, no=565, id=562, vol=1.720000e+10
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB1) 2.336 0.682 0.682 weight 1.000 ! spec=3D Nnoesy, no=566, id=563, vol=7.150000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HG2) 2.747 0.947 3.253 weight 1.000 ! spec=3D Nnoesy, no=567, id=564, vol=1.100000e+08
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HA) 2.927 1.071 1.071 weight 1.000 ! spec=3D Nnoesy, no=569, id=566, vol=4.420000e+07
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HG2) 3.366 1.417 1.417 weight 1.000 ! spec=3D Nnoesy, no=570, id=567, vol=5.380000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name   HN) 2.567 0.824 0.824 weight 1.000 ! spec=3D Nnoesy, no=571, id=568, vol=8.540000e+07
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name   HA) 2.330 0.679 0.679 weight 1.000 ! spec=3D Nnoesy, no=572, id=569, vol=2.110000e+08
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB2) 2.115 0.559 0.559 weight 1.000 ! spec=3D Nnoesy, no=573, id=570, vol=1.280000e+09
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HG2) 2.270 0.470 3.730 weight 1.000 ! spec=3D Nnoesy, no=574, id=571, vol=1.290000e+09
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   60 and name   HA) 2.706 0.915 0.915 weight 1.000 ! spec=3D Nnoesy, no=575, id=572, vol=6.250000e+07
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   61 and name   HN) 3.586 1.607 1.607 weight 1.000 ! spec=3D Nnoesy, no=576, id=573, vol=8.070000e+06
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name   HA) 2.904 1.054 1.054 weight 1.000 ! spec=3D Nnoesy, no=577, id=574, vol=4.820000e+07
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HB2) 2.418 0.731 0.731 weight 1.000 ! spec=3D Nnoesy, no=578, id=575, vol=1.440000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HG2) 3.002 1.126 1.126 weight 1.000 ! spec=3D Nnoesy, no=579, id=576, vol=5.050000e+09
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name   HN) 2.438 0.743 0.743 weight 1.000 ! spec=3D Nnoesy, no=580, id=577, vol=7.967000e+00
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HA) 2.484 0.772 0.772 weight 1.000 ! spec=3D Nnoesy, no=581, id=578, vol=1.570000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name  HB1) 2.108 0.555 0.555 weight 1.000 ! spec=3D Nnoesy, no=582, id=579, vol=2.330000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   64 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=3D Nnoesy, no=583, id=580, vol=8.220000e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   61 and name   HA) 3.059 1.169 1.169 weight 1.000 ! spec=3D Nnoesy, no=584, id=581, vol=6.240000e+09
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HA) 3.416 1.458 1.458 weight 1.000 ! spec=3D Nnoesy, no=585, id=582, vol=4.030000e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name  HB1) 2.752 0.947 0.947 weight 1.000 ! spec=3D Nnoesy, no=586, id=583, vol=1.030000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=588, id=585, vol=8.230000e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HB) 2.449 0.750 0.750 weight 1.000 ! spec=3D Nnoesy, no=589, id=586, vol=3.800000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HD11) 3.009 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=590, id=587, vol=7.710000e+09
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG12) 2.953 1.153 3.047 weight 1.000 ! spec=3D Nnoesy, no=591, id=588, vol=2.180000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG11) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=592, id=589, vol=1.540000e+10
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG21) 2.957 1.093 1.093 weight 1.000 ! spec=3D Nnoesy, no=593, id=590, vol=2.190000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   61 and name   HA) 3.575 1.598 1.598 weight 1.000 ! spec=3D Nnoesy, no=595, id=592, vol=1.370000e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name   HA) 3.884 1.886 1.886 weight 1.000 ! spec=3D Nnoesy, no=596, id=593, vol=1.280000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name   HA) 3.314 1.372 1.372 weight 1.000 ! spec=3D Nnoesy, no=597, id=594, vol=2.060000e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name HD11) 3.365 1.565 2.635 weight 1.000 ! spec=3D Nnoesy, no=598, id=595, vol=1.370000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name HG12) 3.871 1.873 1.873 weight 1.000 ! spec=3D Nnoesy, no=599, id=596, vol=7.130000e+06
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name HG21) 2.959 1.094 1.094 weight 1.000 ! spec=3D Nnoesy, no=600, id=597, vol=9.920000e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=3D Nnoesy, no=601, id=598, vol=7.940000e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name   HA) 2.521 0.794 0.794 weight 1.000 ! spec=3D Nnoesy, no=602, id=599, vol=1.130000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB2) 2.321 0.521 3.679 weight 1.000 ! spec=3D Nnoesy, no=603, id=600, vol=3.760000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HD2) 3.774 1.781 1.781 weight 1.000 ! spec=3D Nnoesy, no=604, id=601, vol=1.270000e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HG1) 3.208 1.408 2.792 weight 1.000 ! spec=3D Nnoesy, no=605, id=602, vol=4.980000e+07
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 2.597 0.843 0.843 weight 1.000 ! spec=3D Nnoesy, no=606, id=603, vol=5.890000e+09
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=3D Nnoesy, no=607, id=604, vol=1.800000e+08
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB2) 2.231 0.622 0.622 weight 1.000 ! spec=3D Nnoesy, no=608, id=605, vol=1.470000e+09
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HG2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=609, id=606, vol=1.970000e+08
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HG1) 3.081 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=610, id=607, vol=2.180000e+08
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name   HA) 2.963 1.097 1.097 weight 1.000 ! spec=3D Nnoesy, no=611, id=608, vol=3.550000e+07
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   65 and name   HA) 3.471 1.506 1.506 weight 1.000 ! spec=3D Nnoesy, no=612, id=609, vol=2.830000e+09
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB2) 2.589 0.838 0.838 weight 1.000 ! spec=3D Nnoesy, no=613, id=610, vol=9.680000e+07
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HG2) 3.771 1.778 1.778 weight 1.000 ! spec=3D Nnoesy, no=614, id=611, vol=1.350000e+09
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HG1) 3.784 1.790 1.790 weight 1.000 ! spec=3D Nnoesy, no=615, id=612, vol=8.720000e+08
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name   HN) 2.342 0.686 0.686 weight 1.000 ! spec=3D Nnoesy, no=616, id=613, vol=7.977000e+00
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name   HA) 2.478 0.768 0.768 weight 1.000 ! spec=3D Nnoesy, no=617, id=614, vol=1.950000e+08
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB1) 2.117 0.560 0.560 weight 1.000 ! spec=3D Nnoesy, no=618, id=615, vol=2.250000e+08
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HB1) 2.442 0.746 0.746 weight 1.000 ! spec=3D Nnoesy, no=619, id=616, vol=1.730000e+08
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name   HA) 2.526 0.798 0.798 weight 1.000 ! spec=3D Nnoesy, no=620, id=617, vol=1.550000e+08
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name  HB2) 2.203 0.607 0.607 weight 1.000 ! spec=3D Nnoesy, no=621, id=618, vol=2.760000e+08
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HD11) 2.823 0.996 0.996 weight 1.000 ! spec=3D Nnoesy, no=622, id=619, vol=1.120000e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HB2) 2.852 1.016 1.016 weight 1.000 ! spec=3D Nnoesy, no=623, id=620, vol=7.430000e+07
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HB1) 3.093 1.196 1.196 weight 1.000 ! spec=3D Nnoesy, no=624, id=621, vol=5.060000e+07
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HD11) 3.481 1.515 1.515 weight 1.000 ! spec=3D Nnoesy, no=625, id=622, vol=3.230000e+07
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name   HA) 2.378 0.707 0.707 weight 1.000 ! spec=3D Nnoesy, no=626, id=623, vol=1.700000e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB2) 2.300 0.662 0.662 weight 1.000 ! spec=3D Nnoesy, no=627, id=624, vol=2.080000e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2) 3.258 1.327 1.327 weight 1.000 ! spec=3D Nnoesy, no=628, id=625, vol=1.180000e+08
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG1) 3.084 1.189 1.189 weight 1.000 ! spec=3D Nnoesy, no=629, id=626, vol=1.180000e+08

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   0           HT1      MET   1 -17.356  10.369  -5.986
    2    H2   MET   0           HT2      MET   1 -18.667  11.349  -5.574
    3    H3   MET   0           HT3      MET   1 -17.589  10.838  -4.381
    4    HA   MET   0           HA       MET   1 -16.952  12.636  -6.639
    5    HB2  MET   0           HB2      MET   1 -17.276  13.178  -3.681
    6    HB3  MET   0           HB1      MET   1 -16.628  14.334  -4.835
    7    HG2  MET   0           HG2      MET   1 -19.401  13.172  -4.847
    8    HG3  MET   0           HG1      MET   1 -18.950  14.803  -4.358
    9    HE1  MET   0           HE1      MET   1 -21.215  14.062  -6.517
   10    HE2  MET   0           HE2      MET   1 -20.908  15.290  -7.744
   11    HE3  MET   0           HE3      MET   1 -20.845  15.718  -6.035
   12    H    GLY   1           HN       GLY   2 -15.719  11.924  -3.370
   13    HA2  GLY   1           HA2      GLY   2 -13.009  12.211  -4.297
   14    HA3  GLY   1           HA1      GLY   2 -13.520  11.810  -2.665
   15    H    LYS   2           HN       LYS   3 -11.363  10.555  -3.704
   16    HA   LYS   2           HA       LYS   3 -12.333   7.900  -4.513
   17    HB2  LYS   2           HB2      LYS   3  -9.536   9.051  -4.585
   18    HB3  LYS   2           HB1      LYS   3  -9.987   7.441  -5.128
   19    HG2  LYS   2           HG2      LYS   3 -11.440   8.442  -6.836
   20    HG3  LYS   2           HG1      LYS   3 -10.924  10.046  -6.312
   21    HD2  LYS   2           HD2      LYS   3  -8.598   9.447  -6.854
   22    HD3  LYS   2           HD1      LYS   3  -9.155   7.874  -7.426
   23    HE2  LYS   2           HE2      LYS   3 -10.529   8.988  -9.123
   24    HE3  LYS   2           HE1      LYS   3  -9.948  10.553  -8.557
   25    HZ1  LYS   2           HZ1      LYS   3  -8.281   8.396  -9.728
   26    HZ2  LYS   2           HZ2      LYS   3  -7.698   9.875  -9.151
   27    HZ3  LYS   2           HZ3      LYS   3  -8.723   9.838 -10.492
   28    H    GLU   3           HN       GLU   4 -12.265   9.247  -1.812
   29    HA   GLU   3           HA       GLU   4 -10.825   7.111  -0.392
   30    HB2  GLU   3           HB2      GLU   4  -9.888   9.455  -0.137
   31    HB3  GLU   3           HB1      GLU   4 -11.382   9.877   0.687
   32    HG2  GLU   3           HG2      GLU   4 -10.910   8.156   2.377
   33    HG3  GLU   3           HG1      GLU   4  -9.385   7.804   1.564
   34    HA   PRO   4           HA       PRO   5 -15.238   6.614   0.739
   35    HB2  PRO   4           HB2      PRO   5 -15.179   3.916   0.817
   36    HB3  PRO   4           HB1      PRO   5 -15.389   4.808  -0.688
   37    HG2  PRO   4           HG2      PRO   5 -12.970   3.475   0.411
   38    HG3  PRO   4           HG1      PRO   5 -13.536   3.578  -1.265
   39    HD2  PRO   4           HD2      PRO   5 -11.562   5.139  -0.181
   40    HD3  PRO   4           HD1      PRO   5 -12.516   5.585  -1.601
   41    HA   PRO   5           HA       PRO   6 -14.524   6.112   5.062
   42    HB2  PRO   5           HB2      PRO   6 -17.105   4.819   5.460
   43    HB3  PRO   5           HB1      PRO   6 -16.595   6.446   5.910
   44    HG2  PRO   5           HG2      PRO   6 -18.404   5.958   3.949
   45    HG3  PRO   5           HG1      PRO   6 -17.323   7.361   3.940
   46    HD2  PRO   5           HD2      PRO   6 -17.101   4.787   2.431
   47    HD3  PRO   5           HD1      PRO   6 -16.765   6.445   1.892
   48    H    TYR   6           HN       TYR   7 -13.910   3.742   3.252
   49    HA   TYR   6           HA       TYR   7 -13.984   1.664   5.333
   50    HB2  TYR   6           HB2      TYR   7 -14.376   1.401   2.363
   51    HB3  TYR   6           HB1      TYR   7 -13.935   0.030   3.369
   52    HD1  TYR   6           HD2      TYR   7 -16.551   2.613   2.854
   53    HD2  TYR   6           HD1      TYR   7 -15.566  -1.146   4.581
   54    HE1  TYR   6           HE2      TYR   7 -18.921   2.243   3.389
   55    HE2  TYR   6           HE1      TYR   7 -17.934  -1.527   5.119
   56    HH   TYR   6           HH       TYR   7 -20.450   0.456   3.871
   57    H    VAL   7           HN       VAL   8 -12.020   3.798   4.119
   58    HA   VAL   7           HA       VAL   8  -9.840   2.209   3.186
   59    HB   VAL   7           HB       VAL   8  -8.538   4.337   3.372
   60   HG11  VAL   7          HG11      VAL   8  -9.637   3.709   1.308
   61   HG12  VAL   7          HG12      VAL   8  -9.705   5.454   1.533
   62   HG13  VAL   7          HG13      VAL   8 -11.131   4.466   1.851
   63   HG21  VAL   7          HG21      VAL   8 -11.196   5.502   4.182
   64   HG22  VAL   7          HG22      VAL   8  -9.742   6.420   3.790
   65   HG23  VAL   7          HG23      VAL   8  -9.767   5.371   5.208
   66    H    SER   8           HN       SER   9  -8.484   1.096   4.379
   67    HA   SER   8           HA       SER   9  -7.835   2.120   7.067
   68    HB2  SER   8           HB2      SER   9  -7.485  -0.754   6.181
   69    HB3  SER   8           HB1      SER   9  -7.437  -0.107   7.820
   70    HG   SER   8           HG       SER   9  -9.443  -1.009   7.556
   71    H    SER   9           HN       SER  10  -5.873   2.973   7.188
   72    HA   SER   9           HA       SER  10  -4.038   2.654   4.982
   73    HB2  SER   9           HB2      SER  10  -3.686   4.273   7.515
   74    HB3  SER   9           HB1      SER  10  -2.787   4.451   6.007
   75    HG   SER   9           HG       SER  10  -5.429   5.181   6.616
   76    H    LEU  10           HN       LEU  11  -2.848   0.878   4.940
   77    HA   LEU  10           HA       LEU  11  -1.929  -0.420   7.355
   78    HB2  LEU  10           HB2      LEU  11  -0.992  -1.048   4.569
   79    HB3  LEU  10           HB1      LEU  11  -1.079  -2.122   5.947
   80    HG   LEU  10           HG       LEU  11  -3.307  -1.167   4.175
   81   HD11  LEU  10          HD11      LEU  11  -2.388  -3.912   5.002
   82   HD12  LEU  10          HD12      LEU  11  -2.040  -3.121   3.466
   83   HD13  LEU  10          HD13      LEU  11  -3.699  -3.545   3.884
   84   HD21  LEU  10          HD21      LEU  11  -3.586  -2.503   6.863
   85   HD22  LEU  10          HD22      LEU  11  -4.874  -2.356   5.675
   86   HD23  LEU  10          HD23      LEU  11  -4.176  -0.910   6.403
   87    H    ARG  11           HN       ARG  12   0.268  -0.613   7.981
   88    HA   ARG  11           HA       ARG  12   2.002   1.483   6.852
   89    HB2  ARG  11           HB2      ARG  12   1.318   1.592   9.309
   90    HB3  ARG  11           HB1      ARG  12   2.314   0.166   9.548
   91    HG2  ARG  11           HG2      ARG  12   4.258   1.433   8.689
   92    HG3  ARG  11           HG1      ARG  12   3.235   2.868   8.597
   93    HD2  ARG  11           HD2      ARG  12   2.743   2.472  11.064
   94    HD3  ARG  11           HD1      ARG  12   4.089   1.336  11.039
   95    HE   ARG  11           HE       ARG  12   4.315   4.222  10.454
   96   HH11  ARG  11          HH11      ARG  12   5.695   1.215  11.612
   97   HH12  ARG  11          HH12      ARG  12   7.157   1.953  12.172
   98   HH21  ARG  11          HH21      ARG  12   6.229   5.202  11.178
   99   HH22  ARG  11          HH22      ARG  12   7.473   4.228  11.914
  100    H    ILE  12           HN       ILE  13   3.117   0.443   5.284
  101    HA   ILE  12           HA       ILE  13   4.096  -2.267   5.728
  102    HB   ILE  12           HB       ILE  13   4.878  -0.827   3.263
  103   HG12  ILE  12          HG12      ILE  13   2.588   0.010   3.536
  104   HG13  ILE  12          HG11      ILE  13   2.711  -1.092   2.174
  105   HG21  ILE  12          HG21      ILE  13   3.678  -3.541   3.759
  106   HG22  ILE  12          HG22      ILE  13   5.400  -3.176   3.646
  107   HG23  ILE  12          HG23      ILE  13   4.360  -2.968   2.237
  108   HD11  ILE  12          HD11      ILE  13   1.772  -2.892   3.641
  109   HD12  ILE  12          HD12      ILE  13   0.675  -1.548   3.330
  110   HD13  ILE  12          HD13      ILE  13   1.512  -1.661   4.877
  111    H    GLU  13           HN       GLU  14   6.180  -2.766   6.102
  112    HA   GLU  13           HA       GLU  14   8.059  -0.619   6.522
  113    HB2  GLU  13           HB2      GLU  14   9.604  -2.465   7.202
  114    HB3  GLU  13           HB1      GLU  14   8.104  -2.406   8.117
  115    HG2  GLU  13           HG2      GLU  14   7.216  -4.266   6.933
  116    HG3  GLU  13           HG1      GLU  14   8.550  -4.242   5.784
  117    H    ILE  14           HN       ILE  15   9.167   0.223   4.909
  118    HA   ILE  14           HA       ILE  15   9.305  -0.937   2.330
  119    HB   ILE  14           HB       ILE  15  10.945   1.313   3.506
  120   HG12  ILE  14          HG12      ILE  15   8.438   1.350   1.827
  121   HG13  ILE  14          HG11      ILE  15   8.560   1.800   3.524
  122   HG21  ILE  14          HG21      ILE  15  11.771   0.068   1.387
  123   HG22  ILE  14          HG22      ILE  15  11.741   1.834   1.406
  124   HG23  ILE  14          HG23      ILE  15  10.459   0.938   0.587
  125   HD11  ILE  14          HD11      ILE  15   8.498   3.689   1.865
  126   HD12  ILE  14          HD12      ILE  15  10.113   3.196   1.375
  127   HD13  ILE  14          HD13      ILE  15   9.814   3.722   3.030
  128    HA   PRO  15           HA       PRO  16  12.751  -3.730   2.735
  129    HB2  PRO  15           HB2      PRO  16  13.411  -2.964  -0.026
  130    HB3  PRO  15           HB1      PRO  16  13.002  -4.548   0.628
  131    HG2  PRO  15           HG2      PRO  16  11.333  -3.068  -0.943
  132    HG3  PRO  15           HG1      PRO  16  10.775  -4.275   0.215
  133    HD2  PRO  15           HD2      PRO  16  10.659  -1.339   0.353
  134    HD3  PRO  15           HD1      PRO  16   9.671  -2.536   1.188
  135    H    ALA  16           HN       ALA  17  15.014  -3.629   2.858
  136    HA   ALA  16           HA       ALA  17  16.006  -1.095   3.641
  137    HB1  ALA  16           HB1      ALA  17  17.510  -3.668   3.202
  138    HB2  ALA  16           HB2      ALA  17  16.706  -3.185   4.695
  139    HB3  ALA  16           HB3      ALA  17  18.085  -2.264   4.100
  140    H    ASP  17           HN       ASP  18  16.135  -2.860   0.665
  141    HA   ASP  17           HA       ASP  18  18.276  -1.180  -0.389
  142    HB2  ASP  17           HB2      ASP  18  18.187  -3.651  -0.846
  143    HB3  ASP  17           HB1      ASP  18  16.736  -3.367  -1.801
  144    H    ILE  18           HN       ILE  19  14.841  -1.556  -0.529
  145    HA   ILE  18           HA       ILE  19  14.477   0.035  -2.899
  146    HB   ILE  18           HB       ILE  19  12.607  -1.254  -0.936
  147   HG12  ILE  18          HG12      ILE  19  11.759  -2.404  -2.891
  148   HG13  ILE  18          HG11      ILE  19  12.719  -1.393  -3.953
  149   HG21  ILE  18          HG21      ILE  19  11.638   0.941  -1.312
  150   HG22  ILE  18          HG22      ILE  19  10.682  -0.306  -2.113
  151   HG23  ILE  18          HG23      ILE  19  11.767   0.715  -3.056
  152   HD11  ILE  18          HD11      ILE  19  13.911  -3.257  -1.934
  153   HD12  ILE  18          HD12      ILE  19  14.728  -2.429  -3.256
  154   HD13  ILE  18          HD13      ILE  19  13.569  -3.712  -3.600
  155    H    ALA  19           HN       ALA  20  13.879   2.165  -3.015
  156    HA   ALA  19           HA       ALA  20  14.355   3.745  -0.616
  157    HB1  ALA  19           HB1      ALA  20  14.300   5.664  -2.212
  158    HB2  ALA  19           HB2      ALA  20  14.051   4.504  -3.517
  159    HB3  ALA  19           HB3      ALA  20  15.538   4.459  -2.570
  160    H    ALA  20           HN       ALA  21  12.920   5.280   0.180
  161    HA   ALA  20           HA       ALA  21  10.118   4.778  -0.165
  162    HB1  ALA  20           HB1      ALA  21   9.856   6.669   1.427
  163    HB2  ALA  20           HB2      ALA  21  11.593   6.950   1.331
  164    HB3  ALA  20           HB3      ALA  21  10.982   5.441   2.007
  165    H    ASN  21           HN       ASN  22   9.685   5.216  -2.357
  166    HA   ASN  21           HA       ASN  22   9.776   8.032  -3.110
  167    HB2  ASN  21           HB2      ASN  22  10.784   7.475  -5.315
  168    HB3  ASN  21           HB1      ASN  22  11.875   7.213  -3.962
  169   HD21  ASN  21          HD21      ASN  22  13.118   5.818  -5.244
  170   HD22  ASN  21          HD22      ASN  22  12.599   4.205  -5.590
  171    H    GLU  22           HN       GLU  23   8.818   8.207  -5.474
  172    HA   GLU  22           HA       GLU  23   6.126   7.359  -5.270
  173    HB2  GLU  22           HB2      GLU  23   6.899   9.430  -6.416
  174    HB3  GLU  22           HB1      GLU  23   7.565   8.435  -7.702
  175    HG2  GLU  22           HG2      GLU  23   5.374   7.641  -8.289
  176    HG3  GLU  22           HG1      GLU  23   4.664   8.487  -6.917
  177    H    ALA  23           HN       ALA  24   8.938   5.969  -6.823
  178    HA   ALA  23           HA       ALA  24   7.692   4.200  -8.599
  179    HB1  ALA  23           HB1      ALA  24  10.119   4.564  -8.548
  180    HB2  ALA  23           HB2      ALA  24   9.715   2.852  -8.452
  181    HB3  ALA  23           HB3      ALA  24  10.208   3.724  -7.001
  182    H    LEU  24           HN       LEU  25   8.481   3.871  -5.170
  183    HA   LEU  24           HA       LEU  25   7.420   1.306  -4.758
  184    HB2  LEU  24           HB2      LEU  25   8.828   2.509  -3.125
  185    HB3  LEU  24           HB1      LEU  25   7.533   3.653  -2.852
  186    HG   LEU  24           HG       LEU  25   6.945   0.775  -2.349
  187   HD11  LEU  24          HD11      LEU  25   8.423   2.482  -0.346
  188   HD12  LEU  24          HD12      LEU  25   9.203   1.253  -1.346
  189   HD13  LEU  24          HD13      LEU  25   7.953   0.787  -0.195
  190   HD21  LEU  24          HD21      LEU  25   6.232   3.327  -0.907
  191   HD22  LEU  24          HD22      LEU  25   5.599   1.718  -0.557
  192   HD23  LEU  24          HD23      LEU  25   5.220   2.499  -2.092
  193    H    LYS  25           HN       LYS  26   5.960   4.494  -4.778
  194    HA   LYS  25           HA       LYS  26   3.427   3.747  -3.800
  195    HB2  LYS  25           HB2      LYS  26   4.193   6.071  -3.846
  196    HB3  LYS  25           HB1      LYS  26   4.187   6.049  -5.599
  197    HG2  LYS  25           HG2      LYS  26   1.755   5.603  -5.531
  198    HG3  LYS  25           HG1      LYS  26   1.816   5.798  -3.781
  199    HD2  LYS  25           HD2      LYS  26   2.797   8.084  -4.192
  200    HD3  LYS  25           HD1      LYS  26   2.381   7.855  -5.893
  201    HE2  LYS  25           HE2      LYS  26   0.061   7.626  -5.390
  202    HE3  LYS  25           HE1      LYS  26   0.380   7.578  -3.663
  203    HZ1  LYS  25           HZ1      LYS  26  -0.462   9.727  -4.344
  204    HZ2  LYS  25           HZ2      LYS  26   0.815   9.914  -5.436
  205    HZ3  LYS  25           HZ3      LYS  26   1.124   9.871  -3.778
  206    H    VAL  26           HN       VAL  27   4.560   4.275  -7.145
  207    HA   VAL  26           HA       VAL  27   2.050   3.800  -8.314
  208    HB   VAL  26           HB       VAL  27   3.204   3.622 -10.456
  209   HG11  VAL  26          HG11      VAL  27   4.293   5.788  -8.669
  210   HG12  VAL  26          HG12      VAL  27   2.771   5.829  -9.560
  211   HG13  VAL  26          HG13      VAL  27   4.305   5.822 -10.432
  212   HG21  VAL  26          HG21      VAL  27   5.130   2.317  -9.867
  213   HG22  VAL  26          HG22      VAL  27   5.724   3.592  -8.806
  214   HG23  VAL  26          HG23      VAL  27   5.671   3.850 -10.549
  215    H    ARG  27           HN       ARG  28   4.679   1.590  -7.499
  216    HA   ARG  27           HA       ARG  28   3.551  -0.605  -8.936
  217    HB2  ARG  27           HB2      ARG  28   5.137  -2.015  -7.753
  218    HB3  ARG  27           HB1      ARG  28   5.934  -0.562  -8.334
  219    HG2  ARG  27           HG2      ARG  28   5.821   0.397  -6.093
  220    HG3  ARG  27           HG1      ARG  28   5.015  -1.060  -5.512
  221    HD2  ARG  27           HD2      ARG  28   7.395  -1.087  -4.976
  222    HD3  ARG  27           HD1      ARG  28   6.973  -2.389  -6.089
  223    HE   ARG  27           HE       ARG  28   7.843  -0.821  -7.876
  224   HH11  ARG  27          HH11      ARG  28   9.057  -0.742  -4.586
  225   HH12  ARG  27          HH12      ARG  28  10.609  -0.121  -5.048
  226   HH21  ARG  27          HH21      ARG  28   9.882  -0.004  -8.465
  227   HH22  ARG  27          HH22      ARG  28  11.073   0.295  -7.240
  228    H    LEU  28           HN       LEU  29   3.308   0.521  -5.576
  229    HA   LEU  28           HA       LEU  29   1.687  -1.671  -4.760
  230    HB2  LEU  28           HB2      LEU  29   2.020   1.041  -3.490
  231    HB3  LEU  28           HB1      LEU  29   1.296  -0.365  -2.733
  232    HG   LEU  28           HG       LEU  29   4.179   0.064  -3.458
  233   HD11  LEU  28          HD11      LEU  29   3.544   0.984  -1.350
  234   HD12  LEU  28          HD12      LEU  29   4.500  -0.471  -1.067
  235   HD13  LEU  28          HD13      LEU  29   2.746  -0.516  -0.882
  236   HD21  LEU  28          HD21      LEU  29   2.745  -2.473  -2.851
  237   HD22  LEU  28          HD22      LEU  29   4.457  -2.282  -2.500
  238   HD23  LEU  28          HD23      LEU  29   3.870  -2.134  -4.157
  239    H    LEU  29           HN       LEU  30   1.040   1.472  -6.159
  240    HA   LEU  29           HA       LEU  30  -1.729   1.566  -5.626
  241    HB2  LEU  29           HB2      LEU  30   0.084   2.888  -7.585
  242    HB3  LEU  29           HB1      LEU  30  -1.645   2.994  -7.840
  243    HG   LEU  29           HG       LEU  30  -0.203   3.906  -5.349
  244   HD11  LEU  29          HD11      LEU  30   0.395   5.449  -6.980
  245   HD12  LEU  29          HD12      LEU  30  -1.032   6.166  -6.232
  246   HD13  LEU  29          HD13      LEU  30  -1.169   5.346  -7.787
  247   HD21  LEU  29          HD21      LEU  30  -2.202   3.895  -4.390
  248   HD22  LEU  29          HD22      LEU  30  -2.965   3.349  -5.883
  249   HD23  LEU  29          HD23      LEU  30  -2.746   5.073  -5.583
  250    H    GLU  30           HN       GLU  31   0.014  -0.537  -7.603
  251    HA   GLU  30           HA       GLU  31  -2.233  -1.048  -9.387
  252    HB2  GLU  30           HB2      GLU  31   0.524  -2.268  -9.234
  253    HB3  GLU  30           HB1      GLU  31  -0.680  -2.648 -10.459
  254    HG2  GLU  30           HG2      GLU  31   0.386   0.117  -9.993
  255    HG3  GLU  30           HG1      GLU  31   1.088  -1.017 -11.138
  256    H    THR  31           HN       THR  32  -1.994  -1.734  -6.347
  257    HA   THR  31           HA       THR  32  -2.221  -4.646  -6.483
  258    HB   THR  31           HB       THR  32  -2.309  -2.874  -4.038
  259    HG1  THR  31           HG1      THR  32  -0.300  -2.493  -4.627
  260   HG21  THR  31          HG21      THR  32  -2.767  -4.809  -3.029
  261   HG22  THR  31          HG22      THR  32  -1.118  -5.291  -3.415
  262   HG23  THR  31          HG23      THR  32  -2.442  -5.736  -4.490
  263    H    GLU  32           HN       GLU  33  -4.098  -5.757  -5.827
  264    HA   GLU  32           HA       GLU  33  -6.497  -4.470  -6.620
  265    HB2  GLU  32           HB2      GLU  33  -6.137  -6.860  -6.999
  266    HB3  GLU  32           HB1      GLU  33  -6.114  -7.145  -5.263
  267    HG2  GLU  32           HG2      GLU  33  -8.437  -6.398  -5.110
  268    HG3  GLU  32           HG1      GLU  33  -8.458  -6.115  -6.849
  269    H    GLY  33           HN       GLY  34  -7.567  -3.053  -5.460
  270    HA2  GLY  33           HA2      GLY  34  -9.134  -2.704  -3.679
  271    HA3  GLY  33           HA1      GLY  34  -8.120  -3.700  -2.644
  272    H    VAL  34           HN       VAL  35  -6.226  -1.613  -4.472
  273    HA   VAL  34           HA       VAL  35  -5.574  -0.044  -2.153
  274    HB   VAL  34           HB       VAL  35  -3.922   1.070  -3.578
  275   HG11  VAL  34          HG11      VAL  35  -3.224  -0.961  -2.575
  276   HG12  VAL  34          HG12      VAL  35  -2.608  -0.938  -4.221
  277   HG13  VAL  34          HG13      VAL  35  -4.020  -1.917  -3.818
  278   HG21  VAL  34          HG21      VAL  35  -5.108  -0.562  -5.817
  279   HG22  VAL  34          HG22      VAL  35  -3.630   0.395  -5.919
  280   HG23  VAL  34          HG23      VAL  35  -5.180   1.192  -5.650
  281    H    LYS  35           HN       LYS  36  -6.164   1.990  -1.675
  282    HA   LYS  35           HA       LYS  36  -7.754   3.453  -3.680
  283    HB2  LYS  35           HB2      LYS  36  -7.776   3.704  -0.672
  284    HB3  LYS  35           HB1      LYS  36  -8.718   4.700  -1.773
  285    HG2  LYS  35           HG2      LYS  36  -8.979   1.733  -1.354
  286    HG3  LYS  35           HG1      LYS  36 -10.123   2.981  -0.862
  287    HD2  LYS  35           HD2      LYS  36  -9.349   2.345  -3.699
  288    HD3  LYS  35           HD1      LYS  36 -10.827   1.810  -2.912
  289    HE2  LYS  35           HE2      LYS  36 -11.529   4.121  -2.623
  290    HE3  LYS  35           HE1      LYS  36 -10.027   4.683  -3.354
  291    HZ1  LYS  35           HZ1      LYS  36 -10.659   3.622  -5.416
  292    HZ2  LYS  35           HZ2      LYS  36 -11.865   4.704  -4.927
  293    HZ3  LYS  35           HZ3      LYS  36 -12.087   3.042  -4.719
  294    H    GLU  36           HN       GLU  37  -4.985   3.465  -1.651
  295    HA   GLU  36           HA       GLU  37  -3.842   5.747  -2.885
  296    HB2  GLU  36           HB2      GLU  37  -5.319   7.015  -1.478
  297    HB3  GLU  36           HB1      GLU  37  -4.937   6.024  -0.080
  298    HG2  GLU  36           HG2      GLU  37  -3.855   8.143   0.138
  299    HG3  GLU  36           HG1      GLU  37  -2.640   6.897  -0.131
  300    H    VAL  37           HN       VAL  38  -1.661   5.863  -2.481
  301    HA   VAL  37           HA       VAL  38  -0.558   4.067  -0.420
  302    HB   VAL  37           HB       VAL  38   0.577   4.451  -3.205
  303   HG11  VAL  37          HG11      VAL  38   2.302   4.312  -1.466
  304   HG12  VAL  37          HG12      VAL  38   2.314   2.891  -2.509
  305   HG13  VAL  37          HG13      VAL  38   1.604   2.798  -0.900
  306   HG21  VAL  37          HG21      VAL  38  -0.193   1.819  -2.042
  307   HG22  VAL  37          HG22      VAL  38  -0.067   2.301  -3.732
  308   HG23  VAL  37          HG23      VAL  38  -1.432   2.846  -2.756
  309    H    LEU  38           HN       LEU  39   0.386   5.354   1.018
  310    HA   LEU  38           HA       LEU  39   1.522   7.915   0.122
  311    HB2  LEU  38           HB2      LEU  39  -0.337   7.888   1.810
  312    HB3  LEU  38           HB1      LEU  39   0.759   7.081   2.906
  313    HG   LEU  38           HG       LEU  39   2.138   9.353   2.050
  314   HD11  LEU  38          HD11      LEU  39  -0.764   9.904   2.576
  315   HD12  LEU  38          HD12      LEU  39   0.190  10.372   1.168
  316   HD13  LEU  38          HD13      LEU  39   0.496  11.127   2.733
  317   HD21  LEU  38          HD21      LEU  39   2.104   8.202   4.252
  318   HD22  LEU  38          HD22      LEU  39   0.567   8.997   4.591
  319   HD23  LEU  38          HD23      LEU  39   2.027   9.959   4.350
  320    H    ILE  39           HN       ILE  40   3.659   7.925  -0.071
  321    HA   ILE  39           HA       ILE  40   5.302   5.991   1.278
  322    HB   ILE  39           HB       ILE  40   5.823   8.246  -0.612
  323   HG12  ILE  39          HG12      ILE  40   6.996   6.563  -1.874
  324   HG13  ILE  39          HG11      ILE  40   6.884   5.420  -0.544
  325   HG21  ILE  39          HG21      ILE  40   7.828   7.101   1.293
  326   HG22  ILE  39          HG22      ILE  40   7.509   8.791   0.893
  327   HG23  ILE  39          HG23      ILE  40   8.312   7.745  -0.279
  328   HD11  ILE  39          HD11      ILE  40   4.613   5.091  -0.893
  329   HD12  ILE  39          HD12      ILE  40   5.315   5.116  -2.506
  330   HD13  ILE  39          HD13      ILE  40   4.457   6.531  -1.891
  331    H    ALA  40           HN       ALA  41   6.197   6.173   3.204
  332    HA   ALA  40           HA       ALA  41   6.370   8.833   4.449
  333    HB1  ALA  40           HB1      ALA  41   6.347   6.114   5.752
  334    HB2  ALA  40           HB2      ALA  41   4.984   7.231   5.684
  335    HB3  ALA  40           HB3      ALA  41   6.433   7.660   6.595
  336    H    GLU  41           HN       GLU  42   8.311   9.354   3.405
  337    HA   GLU  41           HA       GLU  42  10.546   7.689   3.151
  338    HB2  GLU  41           HB2      GLU  42  10.480  10.697   3.322
  339    HB3  GLU  41           HB1      GLU  42  11.797   9.742   2.668
  340    HG2  GLU  41           HG2      GLU  42  10.359   8.970   0.874
  341    HG3  GLU  41           HG1      GLU  42   9.005   9.865   1.556
  342    H    GLU  42           HN       GLU  43   9.600   9.933   5.688
  343    HA   GLU  42           HA       GLU  43  12.088   9.797   7.088
  344    HB2  GLU  42           HB2      GLU  43   9.378  10.780   7.998
  345    HB3  GLU  42           HB1      GLU  43  10.890  11.031   8.857
  346    HG2  GLU  42           HG2      GLU  43  11.750  12.360   7.047
  347    HG3  GLU  42           HG1      GLU  43  10.304  12.049   6.090
  348    H    GLU  43           HN       GLU  44   9.233   7.871   7.036
  349    HA   GLU  43           HA       GLU  44   9.943   6.574   9.571
  350    HB2  GLU  43           HB2      GLU  44   7.505   6.179   7.828
  351    HB3  GLU  43           HB1      GLU  44   7.769   5.459   9.409
  352    HG2  GLU  43           HG2      GLU  44   7.773   7.694  10.408
  353    HG3  GLU  43           HG1      GLU  44   7.464   8.391   8.819
  354    H    HIS  44           HN       HIS  45  10.603   6.298   6.370
  355    HA   HIS  44           HA       HIS  45  11.160   4.673   4.887
  356    HB2  HIS  44           HB2      HIS  45  12.881   4.365   6.763
  357    HB3  HIS  44           HB1      HIS  45  11.912   2.993   7.284
  358    HD1  HIS  44           HD1      HIS  45  14.206   4.120   4.547
  359    HD2  HIS  44           HD2      HIS  45  12.113   0.713   5.670
  360    HE1  HIS  44           HE1      HIS  45  15.126   2.263   3.127
  361    HE2  HIS  44           HE2      HIS  45  13.715   0.255   3.695
  362    H    SER  45           HN       SER  46   8.490   4.782   5.500
  363    HA   SER  45           HA       SER  46   7.677   1.975   5.304
  364    HB2  SER  45           HB2      SER  46   6.435   4.004   7.184
  365    HB3  SER  45           HB1      SER  46   5.806   2.383   6.880
  366    HG   SER  45           HG       SER  46   8.428   2.888   7.846
  367    H    ALA  46           HN       ALA  47   5.301   1.838   4.682
  368    HA   ALA  46           HA       ALA  47   4.491   4.111   2.976
  369    HB1  ALA  46           HB1      ALA  47   5.383   2.225   1.630
  370    HB2  ALA  46           HB2      ALA  47   3.695   2.581   1.296
  371    HB3  ALA  46           HB3      ALA  47   4.125   1.194   2.297
  372    H    TYR  47           HN       TYR  48   2.486   4.822   3.421
  373    HA   TYR  47           HA       TYR  48   0.731   3.081   4.988
  374    HB2  TYR  47           HB2      TYR  48   0.719   6.062   4.498
  375    HB3  TYR  47           HB1      TYR  48  -0.643   5.220   5.231
  376    HD1  TYR  47           HD2      TYR  48   3.035   5.707   5.650
  377    HD2  TYR  47           HD1      TYR  48  -0.701   4.918   7.525
  378    HE1  TYR  47           HE2      TYR  48   4.117   5.849   7.853
  379    HE2  TYR  47           HE1      TYR  48   0.369   5.058   9.729
  380    HH   TYR  47           HH       TYR  48   3.564   6.253  10.165
  381    H    VAL  48           HN       VAL  49  -0.361   1.792   3.708
  382    HA   VAL  48           HA       VAL  49  -1.396   2.853   1.169
  383    HB   VAL  48           HB       VAL  49  -1.212  -0.048   1.991
  384   HG11  VAL  48          HG11      VAL  49  -2.816   0.719   0.170
  385   HG12  VAL  48          HG12      VAL  49  -1.686  -0.565  -0.248
  386   HG13  VAL  48          HG13      VAL  49  -1.383   1.085  -0.783
  387   HG21  VAL  48          HG21      VAL  49   1.023   0.988   1.937
  388   HG22  VAL  48          HG22      VAL  49   0.719   1.516   0.282
  389   HG23  VAL  48          HG23      VAL  49   0.804  -0.204   0.656
  390    H    LYS  49           HN       LYS  50  -3.462   3.410   1.175
  391    HA   LYS  49           HA       LYS  50  -5.225   2.465   3.266
  392    HB2  LYS  49           HB2      LYS  50  -5.767   4.315   0.935
  393    HB3  LYS  49           HB1      LYS  50  -6.869   4.007   2.271
  394    HG2  LYS  49           HG2      LYS  50  -5.150   4.928   3.815
  395    HG3  LYS  49           HG1      LYS  50  -4.185   5.359   2.401
  396    HD2  LYS  49           HD2      LYS  50  -6.142   6.696   1.586
  397    HD3  LYS  49           HD1      LYS  50  -6.920   6.385   3.137
  398    HE2  LYS  49           HE2      LYS  50  -4.236   7.724   2.807
  399    HE3  LYS  49           HE1      LYS  50  -5.760   8.580   3.042
  400    HZ1  LYS  49           HZ1      LYS  50  -4.642   6.601   4.959
  401    HZ2  LYS  49           HZ2      LYS  50  -5.998   7.585   5.191
  402    HZ3  LYS  49           HZ3      LYS  50  -4.459   8.276   5.102
  403    H    ILE  50           HN       ILE  51  -6.570   0.832   3.108
  404    HA   ILE  50           HA       ILE  51  -6.841  -0.481   0.495
  405    HB   ILE  50           HB       ILE  51  -7.346  -2.509   1.658
  406   HG12  ILE  50          HG12      ILE  51  -7.248  -0.969   4.259
  407   HG13  ILE  50          HG11      ILE  51  -8.740  -1.424   3.446
  408   HG21  ILE  50          HG21      ILE  51  -5.031  -2.216   1.556
  409   HG22  ILE  50          HG22      ILE  51  -5.345  -2.683   3.222
  410   HG23  ILE  50          HG23      ILE  51  -5.037  -0.994   2.823
  411   HD11  ILE  50          HD11      ILE  51  -8.224  -3.764   3.734
  412   HD12  ILE  50          HD12      ILE  51  -8.154  -2.933   5.289
  413   HD13  ILE  50          HD13      ILE  51  -6.663  -3.356   4.448
  414    H    ASP  51           HN       ASP  52  -8.824  -1.125  -0.263
  415    HA   ASP  51           HA       ASP  52 -11.149   0.195   0.900
  416    HB2  ASP  51           HB2      ASP  52 -10.718   0.289  -1.559
  417    HB3  ASP  51           HB1      ASP  52 -10.948  -1.451  -1.629
  418    H    SER  52           HN       SER  53 -11.966  -0.895   2.564
  419    HA   SER  52           HA       SER  53 -11.563  -3.673   2.944
  420    HB2  SER  52           HB2      SER  53 -13.394  -1.764   4.405
  421    HB3  SER  52           HB1      SER  53 -12.945  -3.378   4.957
  422    HG   SER  52           HG       SER  53 -11.373  -1.051   4.767
  423    H    LYS  53           HN       LYS  54 -13.654  -2.270   0.834
  424    HA   LYS  53           HA       LYS  54 -15.839  -4.131   1.286
  425    HB2  LYS  53           HB2      LYS  54 -15.376  -2.013  -0.811
  426    HB3  LYS  53           HB1      LYS  54 -16.751  -3.106  -0.846
  427    HG2  LYS  53           HG2      LYS  54 -16.107  -1.149   1.351
  428    HG3  LYS  53           HG1      LYS  54 -17.345  -0.950   0.110
  429    HD2  LYS  53           HD2      LYS  54 -17.265  -3.111   2.218
  430    HD3  LYS  53           HD1      LYS  54 -18.329  -1.706   2.209
  431    HE2  LYS  53           HE2      LYS  54 -19.358  -2.501   0.134
  432    HE3  LYS  53           HE1      LYS  54 -18.290  -3.902   0.141
  433    HZ1  LYS  53           HZ1      LYS  54 -19.282  -4.623   2.206
  434    HZ2  LYS  53           HZ2      LYS  54 -20.480  -4.426   1.029
  435    HZ3  LYS  53           HZ3      LYS  54 -20.287  -3.263   2.239
  436    H    VAL  54           HN       VAL  55 -12.988  -3.819  -0.670
  437    HA   VAL  54           HA       VAL  55 -13.842  -6.166  -2.226
  438    HB   VAL  54           HB       VAL  55 -13.377  -4.199  -3.608
  439   HG11  VAL  54          HG11      VAL  55 -11.726  -3.125  -2.156
  440   HG12  VAL  54          HG12      VAL  55 -11.158  -3.270  -3.818
  441   HG13  VAL  54          HG13      VAL  55 -10.555  -4.372  -2.580
  442   HG21  VAL  54          HG21      VAL  55 -12.989  -6.383  -4.575
  443   HG22  VAL  54          HG22      VAL  55 -11.349  -6.405  -3.927
  444   HG23  VAL  54          HG23      VAL  55 -11.788  -5.238  -5.174
  445    H    THR  55           HN       THR  56 -11.184  -4.860  -0.276
  446    HA   THR  55           HA       THR  56  -9.897  -7.499  -0.459
  447    HB   THR  55           HB       THR  56  -8.732  -5.856  -1.901
  448    HG1  THR  55           HG1      THR  56  -6.912  -6.801  -1.381
  449   HG21  THR  55          HG21      THR  56  -8.322  -4.393   0.698
  450   HG22  THR  55          HG22      THR  56  -9.097  -3.795  -0.764
  451   HG23  THR  55          HG23      THR  56  -7.360  -4.097  -0.745
  452    H    ASN  56           HN       ASN  57  -8.379  -7.945   1.274
  453    HA   ASN  56           HA       ASN  57  -9.177  -6.703   3.826
  454    HB2  ASN  56           HB2      ASN  57  -9.896  -9.052   3.611
  455    HB3  ASN  56           HB1      ASN  57  -8.242  -9.530   3.257
  456   HD21  ASN  56          HD21      ASN  57  -8.135 -10.931   4.974
  457   HD22  ASN  56          HD22      ASN  57  -8.036 -10.386   6.614
  458    H    ARG  57           HN       ARG  58  -7.516  -6.332   5.368
  459    HA   ARG  57           HA       ARG  58  -5.287  -5.081   4.433
  460    HB2  ARG  57           HB2      ARG  58  -5.972  -4.688   6.670
  461    HB3  ARG  57           HB1      ARG  58  -5.773  -6.379   7.105
  462    HG2  ARG  57           HG2      ARG  58  -3.333  -6.133   6.735
  463    HG3  ARG  57           HG1      ARG  58  -3.593  -4.413   6.458
  464    HD2  ARG  57           HD2      ARG  58  -2.885  -4.729   8.722
  465    HD3  ARG  57           HD1      ARG  58  -4.582  -4.248   8.723
  466    HE   ARG  57           HE       ARG  58  -4.391  -7.065   8.743
  467   HH11  ARG  57          HH11      ARG  58  -3.870  -4.287  10.807
  468   HH12  ARG  57          HH12      ARG  58  -4.149  -5.160  12.278
  469   HH21  ARG  57          HH21      ARG  58  -4.749  -8.230  10.682
  470   HH22  ARG  57          HH22      ARG  58  -4.644  -7.409  12.206
  471    H    PHE  58           HN       PHE  59  -5.272  -8.395   5.800
  472    HA   PHE  58           HA       PHE  59  -2.493  -8.738   5.474
  473    HB2  PHE  58           HB2      PHE  59  -4.167 -10.097   6.907
  474    HB3  PHE  58           HB1      PHE  59  -4.468 -11.018   5.441
  475    HD1  PHE  58           HD1      PHE  59  -2.076 -11.675   4.236
  476    HD2  PHE  58           HD2      PHE  59  -2.767 -11.092   8.390
  477    HE1  PHE  58           HE1      PHE  59  -0.158 -13.121   4.754
  478    HE2  PHE  58           HE2      PHE  59  -0.844 -12.531   8.917
  479    HZ   PHE  58           HZ       PHE  59   0.463 -13.548   7.095
  480    H    GLU  59           HN       GLU  60  -5.233  -9.670   3.424
  481    HA   GLU  59           HA       GLU  60  -3.782 -11.142   1.529
  482    HB2  GLU  59           HB2      GLU  60  -6.366  -9.604   1.250
  483    HB3  GLU  59           HB1      GLU  60  -5.733 -10.694   0.025
  484    HG2  GLU  59           HG2      GLU  60  -5.880 -12.555   1.581
  485    HG3  GLU  59           HG1      GLU  60  -6.473 -11.468   2.837
  486    H    VAL  60           HN       VAL  61  -4.840  -7.736   1.462
  487    HA   VAL  60           HA       VAL  61  -3.579  -7.197  -1.021
  488    HB   VAL  60           HB       VAL  61  -5.481  -5.901  -0.122
  489   HG11  VAL  60          HG11      VAL  61  -5.329  -4.410   1.647
  490   HG12  VAL  60          HG12      VAL  61  -3.570  -4.461   1.670
  491   HG13  VAL  60          HG13      VAL  61  -4.500  -5.850   2.230
  492   HG21  VAL  60          HG21      VAL  61  -2.980  -4.429  -0.859
  493   HG22  VAL  60          HG22      VAL  61  -4.533  -3.620  -0.667
  494   HG23  VAL  60          HG23      VAL  61  -4.338  -4.875  -1.890
  495    H    GLU  61           HN       GLU  62  -2.601  -6.830   2.343
  496    HA   GLU  61           HA       GLU  62  -0.187  -5.463   2.105
  497    HB2  GLU  61           HB2      GLU  62  -1.501  -6.350   4.171
  498    HB3  GLU  61           HB1      GLU  62  -0.575  -7.818   3.939
  499    HG2  GLU  61           HG2      GLU  62   0.627  -5.111   4.406
  500    HG3  GLU  61           HG1      GLU  62   0.313  -6.294   5.664
  501    H    GLN  62           HN       GLN  63  -0.822  -8.942   1.969
  502    HA   GLN  62           HA       GLN  63   1.747  -9.861   1.458
  503    HB2  GLN  62           HB2      GLN  63  -0.120 -11.322   2.033
  504    HB3  GLN  62           HB1      GLN  63  -0.903 -10.954   0.503
  505    HG2  GLN  62           HG2      GLN  63   0.858 -12.060  -0.710
  506    HG3  GLN  62           HG1      GLN  63   1.750 -12.339   0.787
  507   HE21  GLN  62          HE21      GLN  63   0.994 -13.868   2.252
  508   HE22  GLN  62          HE22      GLN  63  -0.139 -15.090   1.789
  509    H    ALA  63           HN       ALA  64  -0.761  -8.797  -0.808
  510    HA   ALA  63           HA       ALA  64   0.717  -9.298  -3.164
  511    HB1  ALA  63           HB1      ALA  64  -1.493  -7.301  -2.683
  512    HB2  ALA  63           HB2      ALA  64  -1.698  -8.982  -3.181
  513    HB3  ALA  63           HB3      ALA  64  -0.908  -7.833  -4.261
  514    H    ILE  64           HN       ILE  65   0.522  -6.516  -1.004
  515    HA   ILE  64           HA       ILE  65   1.931  -4.684  -2.590
  516    HB   ILE  64           HB       ILE  65   1.237  -4.858   0.281
  517   HG12  ILE  64          HG12      ILE  65   1.055  -2.236  -0.713
  518   HG13  ILE  64          HG11      ILE  65   0.605  -3.284  -2.049
  519   HG21  ILE  64          HG21      ILE  65   3.610  -4.341   0.464
  520   HG22  ILE  64          HG22      ILE  65   2.626  -2.946   0.907
  521   HG23  ILE  64          HG23      ILE  65   3.416  -3.002  -0.668
  522   HD11  ILE  64          HD11      ILE  65  -1.124  -4.295  -0.755
  523   HD12  ILE  64          HD12      ILE  65  -1.303  -2.540  -0.698
  524   HD13  ILE  64          HD13      ILE  65  -0.624  -3.402   0.683
  525    H    ARG  65           HN       ARG  66   3.160  -6.996  -0.143
  526    HA   ARG  65           HA       ARG  66   5.842  -6.132  -0.485
  527    HB2  ARG  65           HB2      ARG  66   6.433  -8.379   0.533
  528    HB3  ARG  65           HB1      ARG  66   5.540  -7.244   1.534
  529    HG2  ARG  65           HG2      ARG  66   4.304  -9.047   2.002
  530    HG3  ARG  65           HG1      ARG  66   3.540  -8.724   0.445
  531    HD2  ARG  65           HD2      ARG  66   4.787 -10.371  -0.642
  532    HD3  ARG  65           HD1      ARG  66   6.003 -10.423   0.632
  533    HE   ARG  65           HE       ARG  66   3.707 -11.238   1.860
  534   HH11  ARG  65          HH11      ARG  66   5.480 -12.301  -0.969
  535   HH12  ARG  65          HH12      ARG  66   5.023 -13.962  -0.785
  536   HH21  ARG  65          HH21      ARG  66   3.141 -13.440   2.122
  537   HH22  ARG  65          HH22      ARG  66   3.703 -14.613   0.975
  538    H    GLN  66           HN       GLN  67   3.905  -8.537  -2.081
  539    HA   GLN  66           HA       GLN  67   5.968  -9.766  -3.561
  540    HB2  GLN  66           HB2      GLN  67   3.043  -9.412  -4.170
  541    HB3  GLN  66           HB1      GLN  67   4.127 -10.421  -5.125
  542    HG2  GLN  66           HG2      GLN  67   4.604 -11.777  -3.157
  543    HG3  GLN  66           HG1      GLN  67   3.529 -10.774  -2.205
  544   HE21  GLN  66          HE21      GLN  67   3.736 -13.213  -4.668
  545   HE22  GLN  66          HE22      GLN  67   2.067 -13.659  -4.652
  546    H    ALA  67           HN       ALA  68   4.195  -6.796  -4.042
  547    HA   ALA  67           HA       ALA  68   5.096  -6.296  -6.693
  548    HB1  ALA  67           HB1      ALA  68   4.048  -4.519  -4.514
  549    HB2  ALA  67           HB2      ALA  68   3.203  -5.094  -5.949
  550    HB3  ALA  67           HB3      ALA  68   4.497  -3.906  -6.104
  551    H    LEU  68           HN       LEU  69   6.533  -6.060  -3.590
  552    HA   LEU  68           HA       LEU  69   8.770  -4.447  -4.530
  553    HB2  LEU  68           HB2      LEU  69   8.145  -5.701  -1.855
  554    HB3  LEU  68           HB1      LEU  69   9.599  -4.778  -2.183
  555    HG   LEU  68           HG       LEU  69   6.851  -3.593  -2.537
  556   HD11  LEU  68          HD11      LEU  69   7.088  -4.378  -0.223
  557   HD12  LEU  68          HD12      LEU  69   7.084  -2.621  -0.323
  558   HD13  LEU  68          HD13      LEU  69   8.599  -3.490  -0.085
  559   HD21  LEU  68          HD21      LEU  69   8.951  -2.576  -3.565
  560   HD22  LEU  68          HD22      LEU  69   9.448  -2.222  -1.913
  561   HD23  LEU  68          HD23      LEU  69   7.961  -1.526  -2.555
  562    H    GLU  69           HN       GLU  70   8.014  -7.727  -3.492
  563    HA   GLU  69           HA       GLU  70  10.650  -8.743  -3.830
  564    HB2  GLU  69           HB2      GLU  70   8.957  -9.640  -2.251
  565    HB3  GLU  69           HB1      GLU  70   7.983 -10.171  -3.616
  566    HG2  GLU  69           HG2      GLU  70   9.148 -12.024  -2.772
  567    HG3  GLU  69           HG1      GLU  70   9.883 -11.608  -4.313
  Start of MODEL    2
    1    H1   MET   0           HT1      MET   1 -11.426  19.188   1.424
    2    H2   MET   0           HT2      MET   1 -12.693  18.107   1.145
    3    H3   MET   0           HT3      MET   1 -13.031  19.723   1.497
    4    HA   MET   0           HA       MET   1 -13.325  19.302  -0.843
    5    HB2  MET   0           HB2      MET   1 -10.886  20.956  -0.164
    6    HB3  MET   0           HB1      MET   1 -11.714  21.010  -1.713
    7    HG2  MET   0           HG2      MET   1 -13.714  21.846  -0.659
    8    HG3  MET   0           HG1      MET   1 -12.974  21.692   0.932
    9    HE1  MET   0           HE1      MET   1 -10.232  24.443   0.899
   10    HE2  MET   0           HE2      MET   1 -10.023  22.737   0.510
   11    HE3  MET   0           HE3      MET   1 -11.067  23.215   1.848
   12    H    GLY   1           HN       GLY   2 -12.579  16.891  -0.650
   13    HA2  GLY   1           HA2      GLY   2 -11.525  15.644  -2.517
   14    HA3  GLY   1           HA1      GLY   2 -10.087  16.606  -2.209
   15    H    LYS   2           HN       LYS   3  -8.636  15.156  -1.569
   16    HA   LYS   2           HA       LYS   3  -7.500  13.736  -0.227
   17    HB2  LYS   2           HB2      LYS   3  -9.754  14.216   1.730
   18    HB3  LYS   2           HB1      LYS   3  -8.259  13.373   2.104
   19    HG2  LYS   2           HG2      LYS   3  -6.993  15.413   1.619
   20    HG3  LYS   2           HG1      LYS   3  -8.504  16.253   1.268
   21    HD2  LYS   2           HD2      LYS   3  -9.260  15.846   3.563
   22    HD3  LYS   2           HD1      LYS   3  -7.746  15.011   3.912
   23    HE2  LYS   2           HE2      LYS   3  -7.981  17.893   3.056
   24    HE3  LYS   2           HE1      LYS   3  -7.773  17.347   4.718
   25    HZ1  LYS   2           HZ1      LYS   3  -5.678  18.026   3.742
   26    HZ2  LYS   2           HZ2      LYS   3  -5.849  16.897   2.499
   27    HZ3  LYS   2           HZ3      LYS   3  -5.651  16.375   4.096
   28    H    GLU   3           HN       GLU   4  -8.013  11.611   1.254
   29    HA   GLU   3           HA       GLU   4  -9.081   9.781  -0.665
   30    HB2  GLU   3           HB2      GLU   4  -8.088   9.322   2.155
   31    HB3  GLU   3           HB1      GLU   4  -8.507   8.045   1.024
   32    HG2  GLU   3           HG2      GLU   4  -6.184   8.193   0.915
   33    HG3  GLU   3           HG1      GLU   4  -6.745   9.057  -0.514
   34    HA   PRO   4           HA       PRO   5 -13.176   9.467   0.969
   35    HB2  PRO   4           HB2      PRO   5 -13.931   7.127  -0.125
   36    HB3  PRO   4           HB1      PRO   5 -13.668   8.572  -1.094
   37    HG2  PRO   4           HG2      PRO   5 -11.979   6.164  -0.792
   38    HG3  PRO   4           HG1      PRO   5 -12.173   7.236  -2.188
   39    HD2  PRO   4           HD2      PRO   5 -10.069   7.252  -0.338
   40    HD3  PRO   4           HD1      PRO   5 -10.411   8.501  -1.547
   41    HA   PRO   5           HA       PRO   6 -13.421   6.778   4.525
   42    HB2  PRO   5           HB2      PRO   6 -16.088   5.814   3.738
   43    HB3  PRO   5           HB1      PRO   6 -15.607   6.747   5.157
   44    HG2  PRO   5           HG2      PRO   6 -17.023   7.842   3.154
   45    HG3  PRO   5           HG1      PRO   6 -15.813   8.766   4.065
   46    HD2  PRO   5           HD2      PRO   6 -15.599   7.523   1.349
   47    HD3  PRO   5           HD1      PRO   6 -14.998   9.091   1.922
   48    H    TYR   6           HN       TYR   7 -14.174   4.474   5.171
   49    HA   TYR   6           HA       TYR   7 -14.076   2.224   4.990
   50    HB2  TYR   6           HB2      TYR   7 -14.230   2.640   2.010
   51    HB3  TYR   6           HB1      TYR   7 -14.431   1.108   2.845
   52    HD1  TYR   6           HD1      TYR   7 -16.422   0.759   4.305
   53    HD2  TYR   6           HD2      TYR   7 -16.015   4.188   1.821
   54    HE1  TYR   6           HE1      TYR   7 -18.831   1.188   4.510
   55    HE2  TYR   6           HE2      TYR   7 -18.421   4.630   2.017
   56    HH   TYR   6           HH       TYR   7 -20.490   3.361   2.511
   57    H    VAL   7           HN       VAL   8 -11.709   4.233   4.216
   58    HA   VAL   7           HA       VAL   8  -9.844   2.417   3.026
   59    HB   VAL   7           HB       VAL   8  -8.181   4.224   3.488
   60   HG11  VAL   7          HG11      VAL   8  -9.376   4.068   1.370
   61   HG12  VAL   7          HG12      VAL   8  -9.057   5.745   1.801
   62   HG13  VAL   7          HG13      VAL   8 -10.671   5.067   2.020
   63   HG21  VAL   7          HG21      VAL   8  -9.233   5.207   5.453
   64   HG22  VAL   7          HG22      VAL   8 -10.598   5.730   4.468
   65   HG23  VAL   7          HG23      VAL   8  -8.997   6.415   4.191
   66    H    SER   8           HN       SER   9  -8.350   1.212   3.959
   67    HA   SER   8           HA       SER   9  -7.882   1.520   6.851
   68    HB2  SER   8           HB2      SER   9  -7.454  -0.988   5.207
   69    HB3  SER   8           HB1      SER   9  -7.376  -0.836   6.962
   70    HG   SER   8           HG       SER   9  -9.741   0.070   6.050
   71    H    SER   9           HN       SER  10  -5.965   2.445   7.239
   72    HA   SER   9           HA       SER  10  -3.994   2.635   5.139
   73    HB2  SER   9           HB2      SER  10  -3.887   3.697   7.970
   74    HB3  SER   9           HB1      SER  10  -2.847   4.177   6.630
   75    HG   SER   9           HG       SER  10  -5.364   5.010   7.267
   76    H    LEU  10           HN       LEU  11  -2.711   0.948   4.800
   77    HA   LEU  10           HA       LEU  11  -1.883  -0.755   7.017
   78    HB2  LEU  10           HB2      LEU  11  -0.964  -1.055   4.178
   79    HB3  LEU  10           HB1      LEU  11  -1.153  -2.296   5.399
   80    HG   LEU  10           HG       LEU  11  -3.286  -0.950   3.762
   81   HD11  LEU  10          HD11      LEU  11  -2.435  -3.816   4.120
   82   HD12  LEU  10          HD12      LEU  11  -2.180  -2.797   2.702
   83   HD13  LEU  10          HD13      LEU  11  -3.814  -3.275   3.161
   84   HD21  LEU  10          HD21      LEU  11  -3.670  -2.696   6.190
   85   HD22  LEU  10          HD22      LEU  11  -4.935  -2.282   5.038
   86   HD23  LEU  10          HD23      LEU  11  -4.170  -1.018   6.000
   87    H    ARG  11           HN       ARG  12   0.152  -0.788   7.875
   88    HA   ARG  11           HA       ARG  12   2.038   1.214   6.862
   89    HB2  ARG  11           HB2      ARG  12   1.431   1.221   9.291
   90    HB3  ARG  11           HB1      ARG  12   2.179  -0.364   9.438
   91    HG2  ARG  11           HG2      ARG  12   4.326   0.607   8.720
   92    HG3  ARG  11           HG1      ARG  12   3.560   2.195   8.656
   93    HD2  ARG  11           HD2      ARG  12   4.741   1.989  10.734
   94    HD3  ARG  11           HD1      ARG  12   3.011   1.978  11.061
   95    HE   ARG  11           HE       ARG  12   3.372  -0.585  11.070
   96   HH11  ARG  11          HH11      ARG  12   5.611   1.822  12.284
   97   HH12  ARG  11          HH12      ARG  12   6.325   0.749  13.446
   98   HH21  ARG  11          HH21      ARG  12   4.310  -1.989  12.611
   99   HH22  ARG  11          HH22      ARG  12   5.595  -1.411  13.630
  100    H    ILE  12           HN       ILE  13   3.137   0.307   5.205
  101    HA   ILE  12           HA       ILE  13   4.066  -2.446   5.407
  102    HB   ILE  12           HB       ILE  13   4.908  -0.752   3.120
  103   HG12  ILE  12          HG12      ILE  13   2.594  -0.012   3.368
  104   HG13  ILE  12          HG11      ILE  13   2.767  -1.031   1.947
  105   HG21  ILE  12          HG21      ILE  13   3.838  -3.552   3.371
  106   HG22  ILE  12          HG22      ILE  13   5.533  -3.081   3.245
  107   HG23  ILE  12          HG23      ILE  13   4.441  -2.819   1.884
  108   HD11  ILE  12          HD11      ILE  13   1.831  -2.926   3.232
  109   HD12  ILE  12          HD12      ILE  13   0.719  -1.568   3.084
  110   HD13  ILE  12          HD13      ILE  13   1.583  -1.838   4.596
  111    H    GLU  13           HN       GLU  14   6.067  -2.967   6.027
  112    HA   GLU  13           HA       GLU  14   8.023  -0.917   6.542
  113    HB2  GLU  13           HB2      GLU  14   8.274  -3.927   6.650
  114    HB3  GLU  13           HB1      GLU  14   9.455  -2.779   7.266
  115    HG2  GLU  13           HG2      GLU  14   7.887  -1.994   8.918
  116    HG3  GLU  13           HG1      GLU  14   6.630  -3.040   8.261
  117    H    ILE  14           HN       ILE  15   9.049  -0.024   4.880
  118    HA   ILE  14           HA       ILE  15   9.260  -1.248   2.327
  119    HB   ILE  14           HB       ILE  15  10.673   1.179   3.441
  120   HG12  ILE  14          HG12      ILE  15   8.236   0.943   1.674
  121   HG13  ILE  14          HG11      ILE  15   8.221   1.364   3.382
  122   HG21  ILE  14          HG21      ILE  15  11.653  -0.046   1.370
  123   HG22  ILE  14          HG22      ILE  15  11.460   1.708   1.340
  124   HG23  ILE  14          HG23      ILE  15  10.283   0.677   0.527
  125   HD11  ILE  14          HD11      ILE  15   8.003   3.292   1.839
  126   HD12  ILE  14          HD12      ILE  15   9.639   2.967   1.276
  127   HD13  ILE  14          HD13      ILE  15   9.355   3.414   2.959
  128    HA   PRO  15           HA       PRO  16  12.894  -3.770   2.759
  129    HB2  PRO  15           HB2      PRO  16  13.556  -2.922   0.024
  130    HB3  PRO  15           HB1      PRO  16  13.231  -4.539   0.645
  131    HG2  PRO  15           HG2      PRO  16  11.516  -3.100  -0.935
  132    HG3  PRO  15           HG1      PRO  16  11.022  -4.403   0.140
  133    HD2  PRO  15           HD2      PRO  16  10.624  -1.518   0.391
  134    HD3  PRO  15           HD1      PRO  16   9.777  -2.833   1.198
  135    H    ALA  16           HN       ALA  17  15.195  -3.549   2.772
  136    HA   ALA  16           HA       ALA  17  16.038  -0.919   3.527
  137    HB1  ALA  16           HB1      ALA  17  17.641  -3.457   3.231
  138    HB2  ALA  16           HB2      ALA  17  16.839  -2.905   4.702
  139    HB3  ALA  16           HB3      ALA  17  18.179  -1.978   4.027
  140    H    ASP  17           HN       ASP  18  16.072  -2.746   0.639
  141    HA   ASP  17           HA       ASP  18  18.180  -1.149  -0.589
  142    HB2  ASP  17           HB2      ASP  18  18.078  -3.571  -1.046
  143    HB3  ASP  17           HB1      ASP  18  16.475  -3.367  -1.744
  144    H    ILE  18           HN       ILE  19  14.711  -1.691  -0.848
  145    HA   ILE  18           HA       ILE  19  14.327   0.001  -3.100
  146    HB   ILE  18           HB       ILE  19  12.442  -1.268  -1.129
  147   HG12  ILE  18          HG12      ILE  19  11.592  -2.340  -3.252
  148   HG13  ILE  18          HG11      ILE  19  12.943  -1.607  -4.090
  149   HG21  ILE  18          HG21      ILE  19  11.440   0.863  -1.611
  150   HG22  ILE  18          HG22      ILE  19  10.556  -0.401  -2.464
  151   HG23  ILE  18          HG23      ILE  19  11.684   0.630  -3.342
  152   HD11  ILE  18          HD11      ILE  19  14.330  -2.851  -2.273
  153   HD12  ILE  18          HD12      ILE  19  13.737  -3.703  -3.691
  154   HD13  ILE  18          HD13      ILE  19  12.889  -3.850  -2.153
  155    H    ALA  19           HN       ALA  20  14.084   2.126  -3.201
  156    HA   ALA  19           HA       ALA  20  14.316   3.726  -0.813
  157    HB1  ALA  19           HB1      ALA  20  14.199   5.631  -2.476
  158    HB2  ALA  19           HB2      ALA  20  14.129   4.401  -3.740
  159    HB3  ALA  19           HB3      ALA  20  15.540   4.501  -2.686
  160    H    ALA  20           HN       ALA  21  12.806   5.100   0.045
  161    HA   ALA  20           HA       ALA  21  10.036   4.511  -0.472
  162    HB1  ALA  20           HB1      ALA  21   9.601   6.059   1.371
  163    HB2  ALA  20           HB2      ALA  21  11.297   6.536   1.379
  164    HB3  ALA  20           HB3      ALA  21  10.842   4.888   1.811
  165    H    ASN  21           HN       ASN  22   9.591   5.260  -2.550
  166    HA   ASN  21           HA       ASN  22   9.312   8.133  -2.797
  167    HB2  ASN  21           HB2      ASN  22  10.641   8.417  -4.746
  168    HB3  ASN  21           HB1      ASN  22  11.648   7.544  -3.601
  169   HD21  ASN  21          HD21      ASN  22  12.084   5.345  -3.971
  170   HD22  ASN  21          HD22      ASN  22  11.897   4.644  -5.541
  171    H    GLU  22           HN       GLU  23   8.601   8.424  -5.392
  172    HA   GLU  22           HA       GLU  23   5.955   7.500  -5.347
  173    HB2  GLU  22           HB2      GLU  23   6.733   9.530  -6.529
  174    HB3  GLU  22           HB1      GLU  23   7.514   8.513  -7.732
  175    HG2  GLU  22           HG2      GLU  23   5.343   7.588  -8.362
  176    HG3  GLU  22           HG1      GLU  23   4.562   8.608  -7.154
  177    H    ALA  23           HN       ALA  24   8.817   6.084  -6.859
  178    HA   ALA  23           HA       ALA  24   7.580   4.324  -8.645
  179    HB1  ALA  23           HB1      ALA  24  10.001   4.683  -8.579
  180    HB2  ALA  23           HB2      ALA  24   9.601   2.968  -8.487
  181    HB3  ALA  23           HB3      ALA  24  10.084   3.839  -7.032
  182    H    LEU  24           HN       LEU  25   8.297   3.955  -5.208
  183    HA   LEU  24           HA       LEU  25   7.305   1.346  -4.872
  184    HB2  LEU  24           HB2      LEU  25   8.683   2.512  -3.203
  185    HB3  LEU  24           HB1      LEU  25   7.392   3.657  -2.925
  186    HG   LEU  24           HG       LEU  25   6.774   0.784  -2.465
  187   HD11  LEU  24          HD11      LEU  25   8.311   2.439  -0.468
  188   HD12  LEU  24          HD12      LEU  25   9.033   1.174  -1.466
  189   HD13  LEU  24          HD13      LEU  25   7.777   0.766  -0.298
  190   HD21  LEU  24          HD21      LEU  25   6.103   3.332  -0.996
  191   HD22  LEU  24          HD22      LEU  25   5.456   1.730  -0.644
  192   HD23  LEU  24          HD23      LEU  25   5.071   2.520  -2.173
  193    H    LYS  25           HN       LYS  26   5.803   4.509  -4.722
  194    HA   LYS  25           HA       LYS  26   3.257   3.754  -3.839
  195    HB2  LYS  25           HB2      LYS  26   3.974   6.054  -3.811
  196    HB3  LYS  25           HB1      LYS  26   4.150   6.066  -5.555
  197    HG2  LYS  25           HG2      LYS  26   1.677   5.608  -5.682
  198    HG3  LYS  25           HG1      LYS  26   1.622   5.932  -3.951
  199    HD2  LYS  25           HD2      LYS  26   2.636   8.151  -4.389
  200    HD3  LYS  25           HD1      LYS  26   2.521   7.818  -6.117
  201    HE2  LYS  25           HE2      LYS  26   0.108   7.616  -5.950
  202    HE3  LYS  25           HE1      LYS  26   0.185   7.868  -4.211
  203    HZ1  LYS  25           HZ1      LYS  26   1.038  10.091  -4.594
  204    HZ2  LYS  25           HZ2      LYS  26  -0.434   9.889  -5.398
  205    HZ3  LYS  25           HZ3      LYS  26   1.014   9.845  -6.269
  206    H    VAL  26           HN       VAL  27   4.455   4.291  -7.157
  207    HA   VAL  26           HA       VAL  27   1.949   3.880  -8.365
  208    HB   VAL  26           HB       VAL  27   3.116   3.745 -10.501
  209   HG11  VAL  26          HG11      VAL  27   4.225   5.837  -8.645
  210   HG12  VAL  26          HG12      VAL  27   2.708   5.926  -9.537
  211   HG13  VAL  26          HG13      VAL  27   4.243   5.925 -10.406
  212   HG21  VAL  26          HG21      VAL  27   5.018   2.397  -9.934
  213   HG22  VAL  26          HG22      VAL  27   5.620   3.633  -8.831
  214   HG23  VAL  26          HG23      VAL  27   5.585   3.942 -10.568
  215    H    ARG  27           HN       ARG  28   4.546   1.585  -7.617
  216    HA   ARG  27           HA       ARG  28   3.312  -0.527  -9.105
  217    HB2  ARG  27           HB2      ARG  28   4.866  -2.036  -7.931
  218    HB3  ARG  27           HB1      ARG  28   5.678  -0.666  -8.662
  219    HG2  ARG  27           HG2      ARG  28   5.831   0.416  -6.485
  220    HG3  ARG  27           HG1      ARG  28   4.992  -0.952  -5.748
  221    HD2  ARG  27           HD2      ARG  28   7.422  -1.096  -5.446
  222    HD3  ARG  27           HD1      ARG  28   6.793  -2.441  -6.399
  223    HE   ARG  27           HE       ARG  28   7.690  -0.278  -8.043
  224   HH11  ARG  27          HH11      ARG  28   8.727  -3.111  -6.269
  225   HH12  ARG  27          HH12      ARG  28  10.211  -3.280  -7.153
  226   HH21  ARG  27          HH21      ARG  28   9.627  -0.522  -9.239
  227   HH22  ARG  27          HH22      ARG  28  10.717  -1.816  -8.849
  228    H    LEU  28           HN       LEU  29   3.213   0.466  -5.700
  229    HA   LEU  28           HA       LEU  29   1.573  -1.695  -4.887
  230    HB2  LEU  28           HB2      LEU  29   1.894   1.029  -3.635
  231    HB3  LEU  28           HB1      LEU  29   1.166  -0.370  -2.871
  232    HG   LEU  28           HG       LEU  29   4.054   0.051  -3.581
  233   HD11  LEU  28          HD11      LEU  29   3.380   0.990  -1.480
  234   HD12  LEU  28          HD12      LEU  29   4.374  -0.437  -1.193
  235   HD13  LEU  28          HD13      LEU  29   2.623  -0.530  -1.003
  236   HD21  LEU  28          HD21      LEU  29   2.617  -2.477  -2.948
  237   HD22  LEU  28          HD22      LEU  29   4.328  -2.280  -2.594
  238   HD23  LEU  28          HD23      LEU  29   3.746  -2.154  -4.256
  239    H    LEU  29           HN       LEU  30   0.946   1.436  -6.307
  240    HA   LEU  29           HA       LEU  30  -1.833   1.544  -5.862
  241    HB2  LEU  29           HB2      LEU  30   0.030   2.797  -7.828
  242    HB3  LEU  29           HB1      LEU  30  -1.696   2.941  -8.076
  243    HG   LEU  29           HG       LEU  30  -0.225   3.847  -5.600
  244   HD11  LEU  29          HD11      LEU  30   0.423   5.363  -7.226
  245   HD12  LEU  29          HD12      LEU  30  -1.009   6.119  -6.529
  246   HD13  LEU  29          HD13      LEU  30  -1.121   5.273  -8.071
  247   HD21  LEU  29          HD21      LEU  30  -2.211   3.983  -4.634
  248   HD22  LEU  29          HD22      LEU  30  -2.977   3.314  -6.074
  249   HD23  LEU  29          HD23      LEU  30  -2.766   5.058  -5.916
  250    H    GLU  30           HN       GLU  31  -0.081  -0.683  -7.653
  251    HA   GLU  30           HA       GLU  31  -2.298  -1.213  -9.502
  252    HB2  GLU  30           HB2      GLU  31   0.466  -2.430  -9.399
  253    HB3  GLU  30           HB1      GLU  31  -0.747  -2.742 -10.630
  254    HG2  GLU  30           HG2      GLU  31  -0.659  -0.365 -11.272
  255    HG3  GLU  30           HG1      GLU  31   0.627  -0.122 -10.090
  256    H    THR  31           HN       THR  32  -2.358  -1.775  -6.581
  257    HA   THR  31           HA       THR  32  -2.462  -4.712  -6.611
  258    HB   THR  31           HB       THR  32  -2.421  -2.933  -4.172
  259    HG1  THR  31           HG1      THR  32  -0.476  -2.541  -5.081
  260   HG21  THR  31          HG21      THR  32  -2.725  -4.850  -3.097
  261   HG22  THR  31          HG22      THR  32  -1.189  -5.423  -3.739
  262   HG23  THR  31          HG23      THR  32  -2.688  -5.754  -4.607
  263    H    GLU  32           HN       GLU  33  -4.298  -5.779  -5.789
  264    HA   GLU  32           HA       GLU  33  -6.776  -4.705  -6.492
  265    HB2  GLU  32           HB2      GLU  33  -6.493  -7.083  -6.397
  266    HB3  GLU  32           HB1      GLU  33  -6.061  -7.020  -4.696
  267    HG2  GLU  32           HG2      GLU  33  -8.382  -6.150  -4.255
  268    HG3  GLU  32           HG1      GLU  33  -8.758  -6.554  -5.928
  269    H    GLY  33           HN       GLY  34  -7.865  -3.103  -5.546
  270    HA2  GLY  33           HA2      GLY  34  -9.327  -2.393  -3.852
  271    HA3  GLY  33           HA1      GLY  34  -8.442  -3.378  -2.703
  272    H    VAL  34           HN       VAL  35  -6.281  -1.576  -4.529
  273    HA   VAL  34           HA       VAL  35  -5.599   0.065  -2.297
  274    HB   VAL  34           HB       VAL  35  -3.917   1.076  -3.733
  275   HG11  VAL  34          HG11      VAL  35  -3.335  -1.007  -2.747
  276   HG12  VAL  34          HG12      VAL  35  -2.698  -0.973  -4.387
  277   HG13  VAL  34          HG13      VAL  35  -4.155  -1.898  -4.024
  278   HG21  VAL  34          HG21      VAL  35  -3.680   0.404  -6.086
  279   HG22  VAL  34          HG22      VAL  35  -5.181   1.281  -5.797
  280   HG23  VAL  34          HG23      VAL  35  -5.206  -0.473  -5.976
  281    H    LYS  35           HN       LYS  36  -6.124   2.126  -1.849
  282    HA   LYS  35           HA       LYS  36  -7.786   3.571  -3.808
  283    HB2  LYS  35           HB2      LYS  36  -7.601   3.997  -0.817
  284    HB3  LYS  35           HB1      LYS  36  -8.698   4.820  -1.918
  285    HG2  LYS  35           HG2      LYS  36  -8.712   1.853  -1.411
  286    HG3  LYS  35           HG1      LYS  36  -9.766   3.014  -0.603
  287    HD2  LYS  35           HD2      LYS  36  -9.664   2.929  -3.584
  288    HD3  LYS  35           HD1      LYS  36 -10.607   1.727  -2.714
  289    HE2  LYS  35           HE2      LYS  36 -11.869   3.501  -1.615
  290    HE3  LYS  35           HE1      LYS  36 -10.905   4.716  -2.453
  291    HZ1  LYS  35           HZ1      LYS  36 -11.791   4.008  -4.535
  292    HZ2  LYS  35           HZ2      LYS  36 -13.090   4.271  -3.486
  293    HZ3  LYS  35           HZ3      LYS  36 -12.587   2.695  -3.825
  294    H    GLU  36           HN       GLU  37  -4.979   3.646  -1.782
  295    HA   GLU  36           HA       GLU  37  -3.722   5.696  -3.255
  296    HB2  GLU  36           HB2      GLU  37  -5.223   7.171  -2.058
  297    HB3  GLU  36           HB1      GLU  37  -4.805   6.422  -0.524
  298    HG2  GLU  36           HG2      GLU  37  -3.708   8.545  -0.717
  299    HG3  GLU  36           HG1      GLU  37  -2.519   7.247  -0.770
  300    H    VAL  37           HN       VAL  38  -1.535   5.853  -2.734
  301    HA   VAL  37           HA       VAL  38  -0.599   4.085  -0.565
  302    HB   VAL  37           HB       VAL  38   0.698   4.420  -3.276
  303   HG11  VAL  37          HG11      VAL  38   2.338   4.218  -1.476
  304   HG12  VAL  37          HG12      VAL  38   2.315   2.764  -2.474
  305   HG13  VAL  37          HG13      VAL  38   1.531   2.764  -0.896
  306   HG21  VAL  37          HG21      VAL  38  -0.405   1.901  -2.069
  307   HG22  VAL  37          HG22      VAL  38   0.100   2.184  -3.734
  308   HG23  VAL  37          HG23      VAL  38  -1.362   2.950  -3.112
  309    H    LEU  38           HN       LEU  39   0.327   5.245   0.933
  310    HA   LEU  38           HA       LEU  39   1.551   7.819   0.288
  311    HB2  LEU  38           HB2      LEU  39   0.616   6.511   2.802
  312    HB3  LEU  38           HB1      LEU  39   1.734   7.855   2.871
  313    HG   LEU  38           HG       LEU  39   0.048   9.232   1.637
  314   HD11  LEU  38          HD11      LEU  39  -1.708   6.843   2.157
  315   HD12  LEU  38          HD12      LEU  39  -1.225   7.468   0.584
  316   HD13  LEU  38          HD13      LEU  39  -2.274   8.427   1.628
  317   HD21  LEU  38          HD21      LEU  39   0.403   9.024   4.147
  318   HD22  LEU  38          HD22      LEU  39  -1.104   8.103   4.157
  319   HD23  LEU  38          HD23      LEU  39  -1.091   9.775   3.588
  320    H    ILE  39           HN       ILE  40   3.687   8.153   0.351
  321    HA   ILE  39           HA       ILE  40   5.402   6.025   1.391
  322    HB   ILE  39           HB       ILE  40   5.873   8.374  -0.401
  323   HG12  ILE  39          HG12      ILE  40   7.078   6.749  -1.742
  324   HG13  ILE  39          HG11      ILE  40   6.943   5.544  -0.470
  325   HG21  ILE  39          HG21      ILE  40   7.873   7.228   1.504
  326   HG22  ILE  39          HG22      ILE  40   7.600   8.908   1.030
  327   HG23  ILE  39          HG23      ILE  40   8.396   7.798  -0.085
  328   HD11  ILE  39          HD11      ILE  40   4.647   5.273  -0.851
  329   HD12  ILE  39          HD12      ILE  40   5.399   5.307  -2.445
  330   HD13  ILE  39          HD13      ILE  40   4.554   6.731  -1.836
  331    H    ALA  40           HN       ALA  41   6.061   6.119   3.407
  332    HA   ALA  40           HA       ALA  41   6.170   8.708   4.779
  333    HB1  ALA  40           HB1      ALA  41   6.331   5.918   5.905
  334    HB2  ALA  40           HB2      ALA  41   4.879   6.920   5.871
  335    HB3  ALA  40           HB3      ALA  41   6.269   7.413   6.840
  336    H    GLU  41           HN       GLU  42   8.072   9.436   3.832
  337    HA   GLU  41           HA       GLU  42  10.399   7.851   3.524
  338    HB2  GLU  41           HB2      GLU  42   9.499  10.252   2.562
  339    HB3  GLU  41           HB1      GLU  42  10.770  10.764   3.663
  340    HG2  GLU  41           HG2      GLU  42  11.177   8.693   1.527
  341    HG3  GLU  41           HG1      GLU  42  11.434  10.416   1.263
  342    H    GLU  42           HN       GLU  43   9.135   9.770   6.110
  343    HA   GLU  42           HA       GLU  43  11.617   9.883   7.578
  344    HB2  GLU  42           HB2      GLU  43  10.330  10.945   9.319
  345    HB3  GLU  42           HB1      GLU  43   9.889  11.654   7.769
  346    HG2  GLU  42           HG2      GLU  43   7.877  10.334   7.703
  347    HG3  GLU  42           HG1      GLU  43   8.368   9.500   9.175
  348    H    GLU  43           HN       GLU  44   9.401   7.492   6.987
  349    HA   GLU  43           HA       GLU  44   9.799   6.228   9.623
  350    HB2  GLU  43           HB2      GLU  44   7.470   6.977   9.180
  351    HB3  GLU  43           HB1      GLU  44   7.435   5.963   7.751
  352    HG2  GLU  43           HG2      GLU  44   6.256   4.919   9.573
  353    HG3  GLU  43           HG1      GLU  44   7.686   3.984   9.145
  354    H    HIS  44           HN       HIS  45  10.563   6.076   6.409
  355    HA   HIS  44           HA       HIS  45  11.158   4.500   4.882
  356    HB2  HIS  44           HB2      HIS  45  12.840   4.154   6.814
  357    HB3  HIS  44           HB1      HIS  45  11.895   2.723   7.208
  358    HD1  HIS  44           HD1      HIS  45  14.383   4.037   4.779
  359    HD2  HIS  44           HD2      HIS  45  12.100   0.611   5.318
  360    HE1  HIS  44           HE1      HIS  45  15.363   2.325   3.226
  361    HE2  HIS  44           HE2      HIS  45  13.854   0.320   3.437
  362    H    SER  45           HN       SER  46   8.486   4.569   5.588
  363    HA   SER  45           HA       SER  46   7.677   1.786   5.195
  364    HB2  SER  45           HB2      SER  46   6.444   3.663   7.233
  365    HB3  SER  45           HB1      SER  46   5.858   2.046   6.839
  366    HG   SER  45           HG       SER  46   8.505   2.517   7.738
  367    H    ALA  46           HN       ALA  47   5.379   1.663   4.471
  368    HA   ALA  46           HA       ALA  47   4.567   4.083   2.979
  369    HB1  ALA  46           HB1      ALA  47   5.407   2.263   1.518
  370    HB2  ALA  46           HB2      ALA  47   3.720   2.662   1.224
  371    HB3  ALA  46           HB3      ALA  47   4.140   1.215   2.139
  372    H    TYR  47           HN       TYR  48   2.429   4.700   3.237
  373    HA   TYR  47           HA       TYR  48   0.775   2.840   4.797
  374    HB2  TYR  47           HB2      TYR  48   0.732   5.838   4.585
  375    HB3  TYR  47           HB1      TYR  48  -0.685   4.949   5.138
  376    HD1  TYR  47           HD1      TYR  48  -0.603   3.664   7.222
  377    HD2  TYR  47           HD2      TYR  48   2.679   6.068   5.981
  378    HE1  TYR  47           HE1      TYR  48   0.335   3.540   9.488
  379    HE2  TYR  47           HE2      TYR  48   3.624   5.956   8.249
  380    HH   TYR  47           HH       TYR  48   3.015   5.493  10.484
  381    H    VAL  48           HN       VAL  49  -0.258   1.604   3.474
  382    HA   VAL  48           HA       VAL  49  -1.337   2.684   0.980
  383    HB   VAL  48           HB       VAL  49  -1.224  -0.180   1.922
  384   HG11  VAL  48          HG11      VAL  49  -1.911   1.015  -0.734
  385   HG12  VAL  48          HG12      VAL  49  -2.969   0.090   0.323
  386   HG13  VAL  48          HG13      VAL  49  -1.605  -0.697  -0.472
  387   HG21  VAL  48          HG21      VAL  49   1.004   0.843   1.624
  388   HG22  VAL  48          HG22      VAL  49   0.572   1.210  -0.049
  389   HG23  VAL  48          HG23      VAL  49   0.682  -0.467   0.486
  390    H    LYS  49           HN       LYS  50  -3.290   3.520   1.154
  391    HA   LYS  49           HA       LYS  50  -5.146   2.508   3.138
  392    HB2  LYS  49           HB2      LYS  50  -5.380   4.754   1.125
  393    HB3  LYS  49           HB1      LYS  50  -6.626   4.336   2.299
  394    HG2  LYS  49           HG2      LYS  50  -4.868   4.709   4.082
  395    HG3  LYS  49           HG1      LYS  50  -3.878   5.426   2.811
  396    HD2  LYS  49           HD2      LYS  50  -5.842   6.951   2.335
  397    HD3  LYS  49           HD1      LYS  50  -6.546   6.356   3.838
  398    HE2  LYS  49           HE2      LYS  50  -4.567   7.096   5.071
  399    HE3  LYS  49           HE1      LYS  50  -3.859   7.705   3.576
  400    HZ1  LYS  49           HZ1      LYS  50  -4.910   9.442   4.927
  401    HZ2  LYS  49           HZ2      LYS  50  -6.405   8.676   4.754
  402    HZ3  LYS  49           HZ3      LYS  50  -5.618   9.311   3.395
  403    H    ILE  50           HN       ILE  51  -6.343   0.814   2.707
  404    HA   ILE  50           HA       ILE  51  -6.944   0.191  -0.096
  405    HB   ILE  50           HB       ILE  51  -7.526  -2.064   0.695
  406   HG12  ILE  50          HG12      ILE  51  -6.412  -1.162   3.351
  407   HG13  ILE  50          HG11      ILE  51  -8.132  -1.334   3.020
  408   HG21  ILE  50          HG21      ILE  51  -4.846  -1.517   1.750
  409   HG22  ILE  50          HG22      ILE  51  -5.162  -1.167   0.062
  410   HG23  ILE  50          HG23      ILE  51  -5.373  -2.803   0.686
  411   HD11  ILE  50          HD11      ILE  51  -7.806  -3.714   2.598
  412   HD12  ILE  50          HD12      ILE  51  -7.268  -3.255   4.214
  413   HD13  ILE  50          HD13      ILE  51  -6.085  -3.535   2.938
  414    H    ASP  51           HN       ASP  52  -8.993  -0.817  -0.533
  415    HA   ASP  51           HA       ASP  52 -11.198   0.414   0.924
  416    HB2  ASP  51           HB2      ASP  52 -11.364   0.471  -1.494
  417    HB3  ASP  51           HB1      ASP  52 -11.152  -1.270  -1.588
  418    H    SER  52           HN       SER  53 -11.820  -0.569   2.672
  419    HA   SER  52           HA       SER  53 -11.108  -3.199   3.363
  420    HB2  SER  52           HB2      SER  53 -12.788  -2.814   5.259
  421    HB3  SER  52           HB1      SER  53 -11.435  -1.691   5.137
  422    HG   SER  52           HG       SER  53 -12.804  -0.189   4.172
  423    H    LYS  53           HN       LYS  54 -13.510  -2.247   1.251
  424    HA   LYS  53           HA       LYS  54 -15.382  -4.347   1.961
  425    HB2  LYS  53           HB2      LYS  54 -15.435  -2.446  -0.386
  426    HB3  LYS  53           HB1      LYS  54 -16.755  -3.474   0.151
  427    HG2  LYS  53           HG2      LYS  54 -15.545  -1.217   1.737
  428    HG3  LYS  53           HG1      LYS  54 -17.052  -1.137   0.829
  429    HD2  LYS  53           HD2      LYS  54 -16.497  -2.990   3.146
  430    HD3  LYS  53           HD1      LYS  54 -17.431  -1.496   3.230
  431    HE2  LYS  53           HE2      LYS  54 -19.030  -2.431   1.605
  432    HE3  LYS  53           HE1      LYS  54 -18.109  -3.933   1.588
  433    HZ1  LYS  53           HZ1      LYS  54 -20.050  -4.022   3.056
  434    HZ2  LYS  53           HZ2      LYS  54 -19.400  -2.775   3.994
  435    HZ3  LYS  53           HZ3      LYS  54 -18.605  -4.264   3.901
  436    H    VAL  54           HN       VAL  55 -13.226  -3.537  -0.763
  437    HA   VAL  54           HA       VAL  55 -13.905  -6.014  -2.098
  438    HB   VAL  54           HB       VAL  55 -13.521  -3.925  -3.374
  439   HG11  VAL  54          HG11      VAL  55 -11.663  -3.056  -2.039
  440   HG12  VAL  54          HG12      VAL  55 -11.298  -3.093  -3.762
  441   HG13  VAL  54          HG13      VAL  55 -10.623  -4.319  -2.689
  442   HG21  VAL  54          HG21      VAL  55 -13.369  -6.072  -4.495
  443   HG22  VAL  54          HG22      VAL  55 -11.666  -6.197  -4.058
  444   HG23  VAL  54          HG23      VAL  55 -12.199  -4.938  -5.171
  445    H    THR  55           HN       THR  56 -11.287  -4.855  -0.073
  446    HA   THR  55           HA       THR  56 -10.011  -7.472  -0.425
  447    HB   THR  55           HB       THR  56  -8.865  -5.721  -1.841
  448    HG1  THR  55           HG1      THR  56  -7.774  -7.611  -1.146
  449   HG21  THR  55          HG21      THR  56  -9.057  -3.840  -0.271
  450   HG22  THR  55          HG22      THR  56  -7.379  -4.141  -0.727
  451   HG23  THR  55          HG23      THR  56  -7.975  -4.671   0.845
  452    H    ASN  56           HN       ASN  57  -8.026  -7.505   1.233
  453    HA   ASN  56           HA       ASN  57  -8.950  -6.513   3.843
  454    HB2  ASN  56           HB2      ASN  57  -9.682  -8.918   3.384
  455    HB3  ASN  56           HB1      ASN  57  -7.975  -9.342   3.383
  456   HD21  ASN  56          HD21      ASN  57  -9.950 -10.368   5.118
  457   HD22  ASN  56          HD22      ASN  57  -9.524  -9.911   6.729
  458    H    ARG  57           HN       ARG  58  -7.267  -6.011   5.254
  459    HA   ARG  57           HA       ARG  58  -4.991  -4.975   4.229
  460    HB2  ARG  57           HB2      ARG  58  -5.573  -4.309   6.401
  461    HB3  ARG  57           HB1      ARG  58  -5.575  -5.960   7.006
  462    HG2  ARG  57           HG2      ARG  58  -3.181  -6.076   6.880
  463    HG3  ARG  57           HG1      ARG  58  -3.101  -4.508   6.082
  464    HD2  ARG  57           HD2      ARG  58  -2.504  -4.218   8.378
  465    HD3  ARG  57           HD1      ARG  58  -4.090  -3.492   8.128
  466    HE   ARG  57           HE       ARG  58  -4.290  -6.189   9.031
  467   HH11  ARG  57          HH11      ARG  58  -3.706  -2.911  10.100
  468   HH12  ARG  57          HH12      ARG  58  -4.237  -3.210  11.726
  469   HH21  ARG  57          HH21      ARG  58  -4.996  -6.591  11.170
  470   HH22  ARG  57          HH22      ARG  58  -4.990  -5.300  12.330
  471    H    PHE  58           HN       PHE  59  -5.092  -8.202   5.826
  472    HA   PHE  58           HA       PHE  59  -2.273  -8.493   5.593
  473    HB2  PHE  58           HB2      PHE  59  -4.011  -9.695   7.167
  474    HB3  PHE  58           HB1      PHE  59  -4.060 -10.880   5.866
  475    HD1  PHE  58           HD1      PHE  59  -1.681 -11.704   5.048
  476    HD2  PHE  58           HD2      PHE  59  -2.478  -9.957   8.845
  477    HE1  PHE  58           HE1      PHE  59   0.340 -12.772   5.960
  478    HE2  PHE  58           HE2      PHE  59  -0.456 -11.017   9.762
  479    HZ   PHE  58           HZ       PHE  59   0.955 -12.429   8.317
  480    H    GLU  59           HN       GLU  60  -4.976  -9.598   3.627
  481    HA   GLU  59           HA       GLU  60  -3.462 -11.291   1.925
  482    HB2  GLU  59           HB2      GLU  60  -6.096  -9.895   1.420
  483    HB3  GLU  59           HB1      GLU  60  -5.429 -11.193   0.438
  484    HG2  GLU  59           HG2      GLU  60  -5.538 -12.687   2.389
  485    HG3  GLU  59           HG1      GLU  60  -6.280 -11.384   3.317
  486    H    VAL  60           HN       VAL  61  -4.641  -7.964   1.592
  487    HA   VAL  60           HA       VAL  61  -3.470  -7.570  -0.967
  488    HB   VAL  60           HB       VAL  61  -5.400  -6.264  -0.118
  489   HG11  VAL  60          HG11      VAL  61  -4.541  -5.951   2.184
  490   HG12  VAL  60          HG12      VAL  61  -5.130  -4.472   1.433
  491   HG13  VAL  60          HG13      VAL  61  -3.395  -4.767   1.552
  492   HG21  VAL  60          HG21      VAL  61  -2.986  -4.704  -0.976
  493   HG22  VAL  60          HG22      VAL  61  -4.627  -4.064  -0.961
  494   HG23  VAL  60          HG23      VAL  61  -4.221  -5.423  -2.008
  495    H    GLU  61           HN       GLU  62  -2.435  -6.926   2.333
  496    HA   GLU  61           HA       GLU  62  -0.028  -5.595   1.920
  497    HB2  GLU  61           HB2      GLU  62  -1.248  -6.272   4.097
  498    HB3  GLU  61           HB1      GLU  62  -0.392  -7.789   3.948
  499    HG2  GLU  61           HG2      GLU  62   0.963  -5.121   4.116
  500    HG3  GLU  61           HG1      GLU  62   0.608  -6.135   5.504
  501    H    GLN  62           HN       GLN  63  -0.754  -9.057   1.914
  502    HA   GLN  62           HA       GLN  63   1.751 -10.111   1.391
  503    HB2  GLN  62           HB2      GLN  63  -0.211 -11.497   1.865
  504    HB3  GLN  62           HB1      GLN  63  -0.927 -11.028   0.331
  505    HG2  GLN  62           HG2      GLN  63   0.944 -12.109  -0.840
  506    HG3  GLN  62           HG1      GLN  63   1.573 -12.650   0.715
  507   HE21  GLN  62          HE21      GLN  63  -1.831 -12.496  -0.093
  508   HE22  GLN  62          HE22      GLN  63  -2.104 -14.202  -0.100
  509    H    ALA  63           HN       ALA  64  -0.673  -8.911  -0.912
  510    HA   ALA  63           HA       ALA  64   0.902  -9.374  -3.223
  511    HB1  ALA  63           HB1      ALA  64  -1.313  -7.369  -2.796
  512    HB2  ALA  63           HB2      ALA  64  -1.512  -9.037  -3.334
  513    HB3  ALA  63           HB3      ALA  64  -0.663  -7.877  -4.355
  514    H    ILE  64           HN       ILE  65   0.514  -6.547  -1.109
  515    HA   ILE  64           HA       ILE  65   2.060  -4.763  -2.600
  516    HB   ILE  64           HB       ILE  65   1.161  -4.864   0.224
  517   HG12  ILE  64          HG12      ILE  65   0.918  -2.302  -0.890
  518   HG13  ILE  64          HG11      ILE  65   0.596  -3.417  -2.210
  519   HG21  ILE  64          HG21      ILE  65   3.498  -4.241   0.486
  520   HG22  ILE  64          HG22      ILE  65   2.431  -2.883   0.843
  521   HG23  ILE  64          HG23      ILE  65   3.294  -2.946  -0.695
  522   HD11  ILE  64          HD11      ILE  65  -1.100  -4.516  -0.856
  523   HD12  ILE  64          HD12      ILE  65  -1.446  -2.804  -1.098
  524   HD13  ILE  64          HD13      ILE  65  -0.800  -3.366   0.445
  525    H    ARG  65           HN       ARG  66   3.061  -6.973   0.048
  526    HA   ARG  65           HA       ARG  66   5.741  -6.126   0.037
  527    HB2  ARG  65           HB2      ARG  66   6.243  -8.418   1.019
  528    HB3  ARG  65           HB1      ARG  66   5.208  -7.346   1.946
  529    HG2  ARG  65           HG2      ARG  66   3.886  -9.122   2.161
  530    HG3  ARG  65           HG1      ARG  66   3.430  -8.845   0.478
  531    HD2  ARG  65           HD2      ARG  66   4.911 -10.473  -0.314
  532    HD3  ARG  65           HD1      ARG  66   5.847 -10.479   1.178
  533    HE   ARG  65           HE       ARG  66   3.427 -11.359   1.993
  534   HH11  ARG  65          HH11      ARG  66   5.528 -12.340  -0.625
  535   HH12  ARG  65          HH12      ARG  66   5.072 -14.011  -0.539
  536   HH21  ARG  65          HH21      ARG  66   2.823 -13.567   2.113
  537   HH22  ARG  65          HH22      ARG  66   3.528 -14.707   1.011
  538    H    GLN  66           HN       GLN  67   4.103  -8.593  -1.848
  539    HA   GLN  66           HA       GLN  67   6.395  -9.633  -3.118
  540    HB2  GLN  66           HB2      GLN  67   3.542  -9.444  -4.060
  541    HB3  GLN  66           HB1      GLN  67   4.797 -10.361  -4.892
  542    HG2  GLN  66           HG2      GLN  67   5.103 -11.769  -2.967
  543    HG3  GLN  66           HG1      GLN  67   3.955 -10.815  -2.050
  544   HE21  GLN  66          HE21      GLN  67   1.753 -10.990  -2.516
  545   HE22  GLN  66          HE22      GLN  67   1.107 -12.312  -3.429
  546    H    ALA  67           HN       ALA  68   4.423  -6.810  -3.807
  547    HA   ALA  67           HA       ALA  68   5.619  -6.200  -6.313
  548    HB1  ALA  67           HB1      ALA  68   4.138  -4.502  -4.325
  549    HB2  ALA  67           HB2      ALA  68   3.504  -5.233  -5.798
  550    HB3  ALA  67           HB3      ALA  68   4.675  -3.917  -5.898
  551    H    LEU  68           HN       LEU  69   6.573  -5.783  -3.032
  552    HA   LEU  68           HA       LEU  69   8.746  -3.971  -3.702
  553    HB2  LEU  68           HB2      LEU  69   7.933  -5.308  -1.122
  554    HB3  LEU  68           HB1      LEU  69   9.308  -4.229  -1.275
  555    HG   LEU  68           HG       LEU  69   6.497  -3.377  -1.951
  556   HD11  LEU  68          HD11      LEU  69   6.686  -4.105   0.417
  557   HD12  LEU  68          HD12      LEU  69   6.331  -2.390   0.224
  558   HD13  LEU  68          HD13      LEU  69   7.962  -2.913   0.638
  559   HD21  LEU  68          HD21      LEU  69   8.498  -2.133  -2.857
  560   HD22  LEU  68          HD22      LEU  69   8.890  -1.724  -1.188
  561   HD23  LEU  68          HD23      LEU  69   7.369  -1.180  -1.896
  562    H    GLU  69           HN       GLU  70   8.146  -7.334  -3.111
  563    HA   GLU  69           HA       GLU  70  10.970  -8.012  -3.100
  564    HB2  GLU  69           HB2      GLU  70   8.488  -9.752  -2.916
  565    HB3  GLU  69           HB1      GLU  70  10.148 -10.331  -2.771
  566    HG2  GLU  69           HG2      GLU  70   8.736  -8.434  -0.910
  567    HG3  GLU  69           HG1      GLU  70   9.140 -10.119  -0.595
  Start of MODEL    3
    1    H1   MET   0           HT1      MET   1 -16.335   6.264  -8.066
    2    H2   MET   0           HT2      MET   1 -16.625   5.764  -9.655
    3    H3   MET   0           HT3      MET   1 -17.351   7.172  -9.067
    4    HA   MET   0           HA       MET   1 -14.454   6.738  -9.453
    5    HB2  MET   0           HB2      MET   1 -14.618   8.360 -11.272
    6    HB3  MET   0           HB1      MET   1 -15.644   6.973 -11.581
    7    HG2  MET   0           HG2      MET   1 -16.942   8.760 -12.245
    8    HG3  MET   0           HG1      MET   1 -17.538   8.415 -10.626
    9    HE1  MET   0           HE1      MET   1 -18.720  10.768 -10.488
   10    HE2  MET   0           HE2      MET   1 -18.171  11.140 -12.123
   11    HE3  MET   0           HE3      MET   1 -17.908  12.298 -10.820
   12    H    GLY   1           HN       GLY   2 -16.996   8.609  -8.010
   13    HA2  GLY   1           HA2      GLY   2 -15.021  10.649  -7.219
   14    HA3  GLY   1           HA1      GLY   2 -16.753  10.925  -7.321
   15    H    LYS   2           HN       LYS   3 -14.707  11.170  -5.142
   16    HA   LYS   2           HA       LYS   3 -14.703  11.093  -2.889
   17    HB2  LYS   2           HB2      LYS   3 -17.425   9.826  -3.202
   18    HB3  LYS   2           HB1      LYS   3 -16.724  10.320  -1.667
   19    HG2  LYS   2           HG2      LYS   3 -17.375  12.136  -3.979
   20    HG3  LYS   2           HG1      LYS   3 -18.312  11.964  -2.496
   21    HD2  LYS   2           HD2      LYS   3 -16.323  12.726  -1.216
   22    HD3  LYS   2           HD1      LYS   3 -15.494  13.010  -2.747
   23    HE2  LYS   2           HE2      LYS   3 -18.042  14.339  -1.832
   24    HE3  LYS   2           HE1      LYS   3 -16.443  15.078  -1.858
   25    HZ1  LYS   2           HZ1      LYS   3 -16.403  14.867  -4.249
   26    HZ2  LYS   2           HZ2      LYS   3 -17.784  15.716  -3.775
   27    HZ3  LYS   2           HZ3      LYS   3 -17.910  14.100  -4.247
   28    H    GLU   3           HN       GLU   4 -13.569   9.844  -1.600
   29    HA   GLU   3           HA       GLU   4 -13.449   6.978  -2.136
   30    HB2  GLU   3           HB2      GLU   4 -11.737   8.766  -0.397
   31    HB3  GLU   3           HB1      GLU   4 -11.473   7.040  -0.621
   32    HG2  GLU   3           HG2      GLU   4 -11.092   7.386  -2.994
   33    HG3  GLU   3           HG1      GLU   4 -11.413   9.108  -2.807
   34    HA   PRO   4           HA       PRO   5 -16.203   6.215   1.144
   35    HB2  PRO   4           HB2      PRO   5 -15.900   3.560   1.388
   36    HB3  PRO   4           HB1      PRO   5 -16.622   4.291  -0.044
   37    HG2  PRO   4           HG2      PRO   5 -13.885   3.200   0.361
   38    HG3  PRO   4           HG1      PRO   5 -14.935   3.109  -1.064
   39    HD2  PRO   4           HD2      PRO   5 -12.856   4.886  -0.729
   40    HD3  PRO   4           HD1      PRO   5 -14.199   5.104  -1.861
   41    HA   PRO   5           HA       PRO   6 -14.085   6.073   5.035
   42    HB2  PRO   5           HB2      PRO   6 -16.407   4.979   6.375
   43    HB3  PRO   5           HB1      PRO   6 -15.798   6.633   6.400
   44    HG2  PRO   5           HG2      PRO   6 -18.141   5.913   5.209
   45    HG3  PRO   5           HG1      PRO   6 -17.165   7.300   4.696
   46    HD2  PRO   5           HD2      PRO   6 -17.337   4.558   3.503
   47    HD3  PRO   5           HD1      PRO   6 -17.256   6.139   2.699
   48    H    TYR   6           HN       TYR   7 -14.425   3.471   3.328
   49    HA   TYR   6           HA       TYR   7 -13.995   1.514   5.461
   50    HB2  TYR   6           HB2      TYR   7 -14.322   1.059   2.497
   51    HB3  TYR   6           HB1      TYR   7 -14.267  -0.186   3.737
   52    HD1  TYR   6           HD1      TYR   7 -16.090   0.151   5.659
   53    HD2  TYR   6           HD2      TYR   7 -16.396   1.695   1.711
   54    HE1  TYR   6           HE1      TYR   7 -18.531   0.289   5.906
   55    HE2  TYR   6           HE2      TYR   7 -18.837   1.841   1.948
   56    HH   TYR   6           HH       TYR   7 -20.619   0.775   3.294
   57    H    VAL   7           HN       VAL   8 -12.241   3.694   4.061
   58    HA   VAL   7           HA       VAL   8 -10.020   2.283   3.013
   59    HB   VAL   7           HB       VAL   8  -8.841   4.490   3.313
   60   HG11  VAL   7          HG11      VAL   8  -9.926   3.894   1.228
   61   HG12  VAL   7          HG12      VAL   8 -10.127   5.614   1.554
   62   HG13  VAL   7          HG13      VAL   8 -11.464   4.501   1.837
   63   HG21  VAL   7          HG21      VAL   8 -10.109   5.320   5.226
   64   HG22  VAL   7          HG22      VAL   8 -11.563   5.399   4.232
   65   HG23  VAL   7          HG23      VAL   8 -10.192   6.447   3.873
   66    H    SER   8           HN       SER   9  -8.361   1.373   4.015
   67    HA   SER   8           HA       SER   9  -7.838   2.084   6.825
   68    HB2  SER   8           HB2      SER   9  -8.906  -0.210   6.508
   69    HB3  SER   8           HB1      SER   9  -7.427  -0.685   5.670
   70    HG   SER   8           HG       SER   9  -7.601   0.274   8.340
   71    H    SER   9           HN       SER  10  -5.799   2.766   7.171
   72    HA   SER   9           HA       SER  10  -3.969   2.691   4.914
   73    HB2  SER   9           HB2      SER  10  -2.652   4.308   6.374
   74    HB3  SER   9           HB1      SER  10  -4.237   4.855   5.846
   75    HG   SER   9           HG       SER  10  -4.985   4.721   7.839
   76    H    LEU  10           HN       LEU  11  -2.740   0.958   4.752
   77    HA   LEU  10           HA       LEU  11  -1.882  -0.492   7.127
   78    HB2  LEU  10           HB2      LEU  11  -1.120  -1.166   4.305
   79    HB3  LEU  10           HB1      LEU  11  -1.261  -2.243   5.677
   80    HG   LEU  10           HG       LEU  11  -3.487  -1.012   4.063
   81   HD11  LEU  10          HD11      LEU  11  -2.632  -3.860   4.542
   82   HD12  LEU  10          HD12      LEU  11  -2.454  -2.937   3.051
   83   HD13  LEU  10          HD13      LEU  11  -4.060  -3.360   3.637
   84   HD21  LEU  10          HD21      LEU  11  -3.724  -2.649   6.584
   85   HD22  LEU  10          HD22      LEU  11  -5.055  -2.177   5.533
   86   HD23  LEU  10          HD23      LEU  11  -4.140  -0.947   6.405
   87    H    ARG  11           HN       ARG  12  -0.004   0.047   8.097
   88    HA   ARG  11           HA       ARG  12   1.982   1.610   6.713
   89    HB2  ARG  11           HB2      ARG  12   1.543   1.932   9.131
   90    HB3  ARG  11           HB1      ARG  12   2.134   0.304   9.440
   91    HG2  ARG  11           HG2      ARG  12   4.323   1.002   8.444
   92    HG3  ARG  11           HG1      ARG  12   3.704   2.652   8.401
   93    HD2  ARG  11           HD2      ARG  12   5.047   2.344  10.378
   94    HD3  ARG  11           HD1      ARG  12   3.362   2.549  10.843
   95    HE   ARG  11           HE       ARG  12   3.372  -0.007  10.937
   96   HH11  ARG  11          HH11      ARG  12   6.159   1.983  11.691
   97   HH12  ARG  11          HH12      ARG  12   6.833   0.836  12.803
   98   HH21  ARG  11          HH21      ARG  12   4.249  -1.505  12.398
   99   HH22  ARG  11          HH22      ARG  12   5.741  -1.151  13.212
  100    H    ILE  12           HN       ILE  13   2.903   0.447   5.078
  101    HA   ILE  12           HA       ILE  13   3.912  -2.231   5.622
  102    HB   ILE  12           HB       ILE  13   4.489  -0.824   3.054
  103   HG12  ILE  12          HG12      ILE  13   2.116  -0.287   3.501
  104   HG13  ILE  12          HG11      ILE  13   2.306  -1.367   2.130
  105   HG21  ILE  12          HG21      ILE  13   3.616  -3.633   3.681
  106   HG22  ILE  12          HG22      ILE  13   5.294  -3.105   3.544
  107   HG23  ILE  12          HG23      ILE  13   4.232  -3.041   2.137
  108   HD11  ILE  12          HD11      ILE  13   1.686  -3.264   3.590
  109   HD12  ILE  12          HD12      ILE  13   0.423  -2.047   3.458
  110   HD13  ILE  12          HD13      ILE  13   1.423  -2.124   4.907
  111    H    GLU  13           HN       GLU  14   5.988  -2.625   6.115
  112    HA   GLU  13           HA       GLU  14   7.784  -0.393   6.409
  113    HB2  GLU  13           HB2      GLU  14   8.178  -3.349   6.902
  114    HB3  GLU  13           HB1      GLU  14   9.372  -2.111   7.269
  115    HG2  GLU  13           HG2      GLU  14   7.861  -1.082   8.855
  116    HG3  GLU  13           HG1      GLU  14   6.608  -2.249   8.451
  117    H    ILE  14           HN       ILE  15   9.067   0.342   4.895
  118    HA   ILE  14           HA       ILE  15   9.174  -0.857   2.317
  119    HB   ILE  14           HB       ILE  15  10.791   1.436   3.440
  120   HG12  ILE  14          HG12      ILE  15   8.269   1.448   1.776
  121   HG13  ILE  14          HG11      ILE  15   8.376   1.855   3.484
  122   HG21  ILE  14          HG21      ILE  15  11.596   0.175   1.326
  123   HG22  ILE  14          HG22      ILE  15  11.527   1.939   1.308
  124   HG23  ILE  14          HG23      ILE  15  10.250   0.999   0.537
  125   HD11  ILE  14          HD11      ILE  15   8.299   3.772   1.843
  126   HD12  ILE  14          HD12      ILE  15   9.944   3.330   1.408
  127   HD13  ILE  14          HD13      ILE  15   9.567   3.818   3.060
  128    HA   PRO  15           HA       PRO  16  12.751  -3.504   2.767
  129    HB2  PRO  15           HB2      PRO  16  13.273  -2.833  -0.049
  130    HB3  PRO  15           HB1      PRO  16  12.971  -4.405   0.689
  131    HG2  PRO  15           HG2      PRO  16  11.168  -3.109  -0.883
  132    HG3  PRO  15           HG1      PRO  16  10.712  -4.253   0.381
  133    HD2  PRO  15           HD2      PRO  16  10.503  -1.307   0.338
  134    HD3  PRO  15           HD1      PRO  16   9.561  -2.490   1.248
  135    H    ALA  16           HN       ALA  17  15.060  -3.310   2.653
  136    HA   ALA  16           HA       ALA  17  15.987  -0.691   3.258
  137    HB1  ALA  16           HB1      ALA  17  17.566  -3.217   2.774
  138    HB2  ALA  16           HB2      ALA  17  16.918  -2.685   4.327
  139    HB3  ALA  16           HB3      ALA  17  18.173  -1.741   3.524
  140    H    ASP  17           HN       ASP  18  16.179  -2.780   0.442
  141    HA   ASP  17           HA       ASP  18  17.992  -1.054  -0.979
  142    HB2  ASP  17           HB2      ASP  18  18.023  -3.441  -1.440
  143    HB3  ASP  17           HB1      ASP  18  16.328  -3.401  -1.911
  144    H    ILE  18           HN       ILE  19  14.532  -1.654  -0.949
  145    HA   ILE  18           HA       ILE  19  13.956  -0.085  -3.246
  146    HB   ILE  18           HB       ILE  19  12.258  -1.283  -1.083
  147   HG12  ILE  18          HG12      ILE  19  11.253  -2.508  -2.944
  148   HG13  ILE  18          HG11      ILE  19  12.203  -1.583  -4.095
  149   HG21  ILE  18          HG21      ILE  19  11.226   0.859  -1.466
  150   HG22  ILE  18          HG22      ILE  19  10.247  -0.405  -2.211
  151   HG23  ILE  18          HG23      ILE  19  11.285   0.612  -3.210
  152   HD11  ILE  18          HD11      ILE  19  13.468  -3.312  -2.007
  153   HD12  ILE  18          HD12      ILE  19  14.193  -2.657  -3.473
  154   HD13  ILE  18          HD13      ILE  19  12.976  -3.932  -3.581
  155    H    ALA  19           HN       ALA  20  13.448   2.032  -3.428
  156    HA   ALA  19           HA       ALA  20  14.173   3.735  -1.204
  157    HB1  ALA  19           HB1      ALA  20  13.830   5.553  -2.937
  158    HB2  ALA  19           HB2      ALA  20  13.548   4.253  -4.097
  159    HB3  ALA  19           HB3      ALA  20  15.102   4.378  -3.270
  160    H    ALA  20           HN       ALA  21  12.901   5.299  -0.284
  161    HA   ALA  20           HA       ALA  21  10.044   4.841  -0.290
  162    HB1  ALA  20           HB1      ALA  21  10.033   6.536   1.507
  163    HB2  ALA  20           HB2      ALA  21  11.750   6.825   1.225
  164    HB3  ALA  20           HB3      ALA  21  11.208   5.257   1.819
  165    H    ASN  21           HN       ASN  22   9.258   5.549  -2.276
  166    HA   ASN  21           HA       ASN  22   8.981   8.349  -2.667
  167    HB2  ASN  21           HB2      ASN  22  10.193   8.500  -4.836
  168    HB3  ASN  21           HB1      ASN  22  11.251   8.254  -3.460
  169   HD21  ASN  21          HD21      ASN  22  12.862   7.509  -4.839
  170   HD22  ASN  21          HD22      ASN  22  12.816   5.916  -5.516
  171    H    GLU  22           HN       GLU  23   8.514   8.467  -5.381
  172    HA   GLU  22           HA       GLU  23   5.866   7.536  -5.498
  173    HB2  GLU  22           HB2      GLU  23   7.003   9.483  -6.745
  174    HB3  GLU  22           HB1      GLU  23   7.512   8.275  -7.912
  175    HG2  GLU  22           HG2      GLU  23   5.542   9.320  -8.733
  176    HG3  GLU  22           HG1      GLU  23   5.122   7.680  -8.241
  177    H    ALA  23           HN       ALA  24   8.875   6.108  -6.670
  178    HA   ALA  23           HA       ALA  24   7.810   4.256  -8.481
  179    HB1  ALA  23           HB1      ALA  24  10.197   4.674  -8.323
  180    HB2  ALA  23           HB2      ALA  24   9.861   2.958  -8.105
  181    HB3  ALA  23           HB3      ALA  24  10.235   3.968  -6.708
  182    H    LEU  24           HN       LEU  25   8.280   4.077  -4.989
  183    HA   LEU  24           HA       LEU  25   7.351   1.430  -4.647
  184    HB2  LEU  24           HB2      LEU  25   8.610   2.749  -2.933
  185    HB3  LEU  24           HB1      LEU  25   7.186   3.734  -2.699
  186    HG   LEU  24           HG       LEU  25   6.844   0.808  -2.351
  187   HD11  LEU  24          HD11      LEU  25   8.200   2.533  -0.282
  188   HD12  LEU  24          HD12      LEU  25   9.003   1.294  -1.248
  189   HD13  LEU  24          HD13      LEU  25   7.733   0.840  -0.112
  190   HD21  LEU  24          HD21      LEU  25   5.884   3.235  -0.846
  191   HD22  LEU  24          HD22      LEU  25   5.387   1.570  -0.545
  192   HD23  LEU  24          HD23      LEU  25   4.980   2.349  -2.074
  193    H    LYS  25           HN       LYS  26   5.791   4.571  -4.619
  194    HA   LYS  25           HA       LYS  26   3.260   3.720  -3.790
  195    HB2  LYS  25           HB2      LYS  26   3.839   6.024  -3.650
  196    HB3  LYS  25           HB1      LYS  26   4.153   6.114  -5.370
  197    HG2  LYS  25           HG2      LYS  26   1.914   6.112  -5.916
  198    HG3  LYS  25           HG1      LYS  26   1.435   5.401  -4.380
  199    HD2  LYS  25           HD2      LYS  26   2.001   7.458  -3.228
  200    HD3  LYS  25           HD1      LYS  26   2.541   8.172  -4.744
  201    HE2  LYS  25           HE2      LYS  26   0.222   7.823  -5.631
  202    HE3  LYS  25           HE1      LYS  26  -0.253   7.301  -4.022
  203    HZ1  LYS  25           HZ1      LYS  26   0.852   9.973  -4.696
  204    HZ2  LYS  25           HZ2      LYS  26   0.370   9.462  -3.159
  205    HZ3  LYS  25           HZ3      LYS  26  -0.776   9.632  -4.388
  206    H    VAL  26           HN       VAL  27   4.512   4.352  -7.055
  207    HA   VAL  26           HA       VAL  27   2.079   3.791  -8.358
  208    HB   VAL  26           HB       VAL  27   3.337   3.730 -10.442
  209   HG11  VAL  26          HG11      VAL  27   4.199   5.892  -8.537
  210   HG12  VAL  26          HG12      VAL  27   2.751   5.885  -9.546
  211   HG13  VAL  26          HG13      VAL  27   4.348   5.980 -10.291
  212   HG21  VAL  26          HG21      VAL  27   5.298   2.506  -9.778
  213   HG22  VAL  26          HG22      VAL  27   5.782   3.800  -8.682
  214   HG23  VAL  26          HG23      VAL  27   5.786   4.071 -10.426
  215    H    ARG  27           HN       ARG  28   4.768   1.676  -7.448
  216    HA   ARG  27           HA       ARG  28   3.794  -0.516  -9.003
  217    HB2  ARG  27           HB2      ARG  28   5.396  -1.900  -7.883
  218    HB3  ARG  27           HB1      ARG  28   6.161  -0.349  -8.184
  219    HG2  ARG  27           HG2      ARG  28   5.952   0.285  -5.902
  220    HG3  ARG  27           HG1      ARG  28   4.923  -1.102  -5.552
  221    HD2  ARG  27           HD2      ARG  28   7.080  -1.615  -4.715
  222    HD3  ARG  27           HD1      ARG  28   6.858  -2.573  -6.176
  223    HE   ARG  27           HE       ARG  28   8.258  -0.027  -6.450
  224   HH11  ARG  27          HH11      ARG  28   8.461  -3.524  -6.223
  225   HH12  ARG  27          HH12      ARG  28  10.090  -3.587  -6.822
  226   HH21  ARG  27          HH21      ARG  28  10.415  -0.122  -7.213
  227   HH22  ARG  27          HH22      ARG  28  11.198  -1.661  -7.377
  228    H    LEU  28           HN       LEU  29   3.323   0.518  -5.649
  229    HA   LEU  28           HA       LEU  29   1.736  -1.749  -4.970
  230    HB2  LEU  28           HB2      LEU  29   2.007   0.916  -3.592
  231    HB3  LEU  28           HB1      LEU  29   1.237  -0.504  -2.913
  232    HG   LEU  28           HG       LEU  29   4.153  -0.098  -3.510
  233   HD11  LEU  28          HD11      LEU  29   3.421   0.791  -1.405
  234   HD12  LEU  28          HD12      LEU  29   4.390  -0.657  -1.129
  235   HD13  LEU  28          HD13      LEU  29   2.631  -0.731  -0.996
  236   HD21  LEU  28          HD21      LEU  29   2.629  -2.608  -3.086
  237   HD22  LEU  28          HD22      LEU  29   4.291  -2.482  -2.524
  238   HD23  LEU  28          HD23      LEU  29   3.915  -2.271  -4.235
  239    H    LEU  29           HN       LEU  30   1.079   1.425  -6.285
  240    HA   LEU  29           HA       LEU  30  -1.693   1.517  -5.823
  241    HB2  LEU  29           HB2      LEU  30   0.146   2.815  -7.779
  242    HB3  LEU  29           HB1      LEU  30  -1.582   2.955  -8.013
  243    HG   LEU  29           HG       LEU  30  -0.090   3.836  -5.541
  244   HD11  LEU  29          HD11      LEU  30   0.493   5.334  -7.259
  245   HD12  LEU  29          HD12      LEU  30  -0.816   6.115  -6.374
  246   HD13  LEU  29          HD13      LEU  30  -1.140   5.336  -7.922
  247   HD21  LEU  29          HD21      LEU  30  -2.065   3.909  -4.541
  248   HD22  LEU  29          HD22      LEU  30  -2.850   3.285  -5.992
  249   HD23  LEU  29          HD23      LEU  30  -2.643   5.023  -5.777
  250    H    GLU  30           HN       GLU  31  -0.002  -0.700  -7.648
  251    HA   GLU  30           HA       GLU  31  -2.223  -1.139  -9.514
  252    HB2  GLU  30           HB2      GLU  31   0.453  -2.535  -9.462
  253    HB3  GLU  30           HB1      GLU  31  -0.747  -2.590 -10.744
  254    HG2  GLU  30           HG2      GLU  31  -0.394  -0.120 -11.030
  255    HG3  GLU  30           HG1      GLU  31   0.972  -0.270  -9.929
  256    H    THR  31           HN       THR  32  -2.029  -1.824  -6.515
  257    HA   THR  31           HA       THR  32  -2.248  -4.741  -6.673
  258    HB   THR  31           HB       THR  32  -2.265  -3.000  -4.201
  259    HG1  THR  31           HG1      THR  32  -0.286  -2.638  -5.039
  260   HG21  THR  31          HG21      THR  32  -2.782  -4.954  -3.243
  261   HG22  THR  31          HG22      THR  32  -1.120  -5.425  -3.589
  262   HG23  THR  31          HG23      THR  32  -2.416  -5.869  -4.703
  263    H    GLU  32           HN       GLU  33  -4.130  -5.826  -6.032
  264    HA   GLU  32           HA       GLU  33  -6.534  -4.526  -6.743
  265    HB2  GLU  32           HB2      GLU  33  -6.179  -6.906  -7.122
  266    HB3  GLU  32           HB1      GLU  33  -6.079  -7.188  -5.392
  267    HG2  GLU  32           HG2      GLU  33  -8.414  -6.455  -5.161
  268    HG3  GLU  32           HG1      GLU  33  -8.501  -6.253  -6.910
  269    H    GLY  33           HN       GLY  34  -7.520  -3.053  -5.544
  270    HA2  GLY  33           HA2      GLY  34  -9.073  -2.695  -3.747
  271    HA3  GLY  33           HA1      GLY  34  -8.077  -3.719  -2.729
  272    H    VAL  34           HN       VAL  35  -6.208  -1.618  -4.600
  273    HA   VAL  34           HA       VAL  35  -5.481  -0.095  -2.256
  274    HB   VAL  34           HB       VAL  35  -3.803   0.975  -3.666
  275   HG11  VAL  34          HG11      VAL  35  -3.185  -1.116  -2.711
  276   HG12  VAL  34          HG12      VAL  35  -2.541  -1.037  -4.346
  277   HG13  VAL  34          HG13      VAL  35  -3.981  -1.998  -4.008
  278   HG21  VAL  34          HG21      VAL  35  -5.088   1.175  -5.726
  279   HG22  VAL  34          HG22      VAL  35  -5.028  -0.575  -5.940
  280   HG23  VAL  34          HG23      VAL  35  -3.545   0.374  -6.021
  281    H    LYS  35           HN       LYS  36  -5.887   2.030  -1.852
  282    HA   LYS  35           HA       LYS  36  -7.525   3.488  -3.824
  283    HB2  LYS  35           HB2      LYS  36  -7.447   3.746  -0.814
  284    HB3  LYS  35           HB1      LYS  36  -8.321   4.842  -1.873
  285    HG2  LYS  35           HG2      LYS  36  -8.834   1.890  -1.563
  286    HG3  LYS  35           HG1      LYS  36  -9.807   3.195  -0.886
  287    HD2  LYS  35           HD2      LYS  36  -9.323   2.760  -3.821
  288    HD3  LYS  35           HD1      LYS  36 -10.760   2.233  -2.957
  289    HE2  LYS  35           HE2      LYS  36 -11.246   4.567  -2.366
  290    HE3  LYS  35           HE1      LYS  36  -9.812   5.083  -3.254
  291    HZ1  LYS  35           HZ1      LYS  36 -11.833   5.345  -4.560
  292    HZ2  LYS  35           HZ2      LYS  36 -12.150   3.688  -4.437
  293    HZ3  LYS  35           HZ3      LYS  36 -10.785   4.229  -5.278
  294    H    GLU  36           HN       GLU  37  -4.795   3.561  -1.663
  295    HA   GLU  36           HA       GLU  37  -3.518   5.688  -3.041
  296    HB2  GLU  36           HB2      GLU  37  -5.044   7.110  -1.879
  297    HB3  GLU  36           HB1      GLU  37  -4.805   6.248  -0.367
  298    HG2  GLU  36           HG2      GLU  37  -2.595   7.128  -0.147
  299    HG3  GLU  36           HG1      GLU  37  -2.672   7.851  -1.755
  300    H    VAL  37           HN       VAL  38  -1.363   5.726  -2.575
  301    HA   VAL  37           HA       VAL  38  -0.449   4.065  -0.319
  302    HB   VAL  37           HB       VAL  38   0.937   4.410  -2.978
  303   HG11  VAL  37          HG11      VAL  38   2.517   4.205  -1.160
  304   HG12  VAL  37          HG12      VAL  38   2.511   2.731  -2.129
  305   HG13  VAL  37          HG13      VAL  38   1.685   2.767  -0.570
  306   HG21  VAL  37          HG21      VAL  38  -0.293   1.918  -1.829
  307   HG22  VAL  37          HG22      VAL  38   0.409   2.125  -3.434
  308   HG23  VAL  37          HG23      VAL  38  -1.088   2.952  -3.012
  309    H    LEU  38           HN       LEU  39   0.417   5.288   1.184
  310    HA   LEU  38           HA       LEU  39   1.476   7.924   0.429
  311    HB2  LEU  38           HB2      LEU  39  -0.508   7.621   2.019
  312    HB3  LEU  38           HB1      LEU  39   0.661   7.034   3.175
  313    HG   LEU  38           HG       LEU  39   1.045   9.720   1.917
  314   HD11  LEU  38          HD11      LEU  39  -1.297   9.470   2.792
  315   HD12  LEU  38          HD12      LEU  39  -0.338  10.750   3.535
  316   HD13  LEU  38          HD13      LEU  39  -0.592   9.228   4.391
  317   HD21  LEU  38          HD21      LEU  39   1.798   8.411   4.513
  318   HD22  LEU  38          HD22      LEU  39   2.023  10.130   4.199
  319   HD23  LEU  38          HD23      LEU  39   2.879   8.936   3.224
  320    H    ILE  39           HN       ILE  40   3.628   7.817   0.190
  321    HA   ILE  39           HA       ILE  40   5.230   5.944   1.677
  322    HB   ILE  39           HB       ILE  40   5.868   8.134  -0.292
  323   HG12  ILE  39          HG12      ILE  40   6.915   6.314  -1.541
  324   HG13  ILE  39          HG11      ILE  40   6.560   5.189  -0.240
  325   HG21  ILE  39          HG21      ILE  40   7.781   6.758   1.560
  326   HG22  ILE  39          HG22      ILE  40   7.615   8.481   1.212
  327   HG23  ILE  39          HG23      ILE  40   8.296   7.400  -0.003
  328   HD11  ILE  39          HD11      ILE  40   4.260   5.281  -0.689
  329   HD12  ILE  39          HD12      ILE  40   5.064   5.090  -2.242
  330   HD13  ILE  39          HD13      ILE  40   4.440   6.668  -1.756
  331    H    ALA  40           HN       ALA  41   6.138   6.253   3.576
  332    HA   ALA  40           HA       ALA  41   6.476   8.981   4.628
  333    HB1  ALA  40           HB1      ALA  41   6.213   6.352   6.082
  334    HB2  ALA  40           HB2      ALA  41   5.004   7.635   6.012
  335    HB3  ALA  40           HB3      ALA  41   6.529   7.904   6.858
  336    H    GLU  41           HN       GLU  42   8.459   9.391   3.702
  337    HA   GLU  41           HA       GLU  42  10.475   7.508   3.271
  338    HB2  GLU  41           HB2      GLU  42  10.657  10.505   3.463
  339    HB3  GLU  41           HB1      GLU  42  11.924   9.472   2.828
  340    HG2  GLU  41           HG2      GLU  42  10.516   8.776   1.016
  341    HG3  GLU  41           HG1      GLU  42   9.143   9.642   1.701
  342    H    GLU  42           HN       GLU  43  10.034   9.785   5.957
  343    HA   GLU  42           HA       GLU  43  12.594   9.201   7.092
  344    HB2  GLU  42           HB2      GLU  43  10.205  10.684   8.147
  345    HB3  GLU  42           HB1      GLU  43  11.682  10.464   9.075
  346    HG2  GLU  42           HG2      GLU  43  11.376  11.904   6.457
  347    HG3  GLU  42           HG1      GLU  43  11.757  12.591   8.031
  348    H    GLU  43           HN       GLU  44   9.374   7.925   7.448
  349    HA   GLU  43           HA       GLU  44  10.046   6.406   9.818
  350    HB2  GLU  43           HB2      GLU  44   7.649   6.102   8.001
  351    HB3  GLU  43           HB1      GLU  44   7.824   5.456   9.625
  352    HG2  GLU  43           HG2      GLU  44   7.665   8.361   8.871
  353    HG3  GLU  43           HG1      GLU  44   6.391   7.403   9.620
  354    H    HIS  44           HN       HIS  45  10.588   6.138   6.545
  355    HA   HIS  44           HA       HIS  45  11.186   4.525   5.078
  356    HB2  HIS  44           HB2      HIS  45  12.865   4.160   7.030
  357    HB3  HIS  44           HB1      HIS  45  11.902   2.733   7.394
  358    HD1  HIS  44           HD1      HIS  45  14.446   4.047   5.042
  359    HD2  HIS  44           HD2      HIS  45  12.033   0.686   5.402
  360    HE1  HIS  44           HE1      HIS  45  15.375   2.370   3.413
  361    HE2  HIS  44           HE2      HIS  45  13.804   0.405   3.541
  362    H    SER  45           HN       SER  46   8.533   4.677   5.745
  363    HA   SER  45           HA       SER  46   7.659   1.935   5.236
  364    HB2  SER  45           HB2      SER  46   6.369   3.718   7.319
  365    HB3  SER  45           HB1      SER  46   5.845   2.097   6.863
  366    HG   SER  45           HG       SER  46   8.423   1.981   7.491
  367    H    ALA  46           HN       ALA  47   5.374   1.934   4.401
  368    HA   ALA  46           HA       ALA  47   4.479   4.539   3.368
  369    HB1  ALA  46           HB1      ALA  47   4.787   2.062   1.708
  370    HB2  ALA  46           HB2      ALA  47   5.708   3.548   1.548
  371    HB3  ALA  46           HB3      ALA  47   3.981   3.533   1.187
  372    H    TYR  47           HN       TYR  48   2.363   4.825   3.664
  373    HA   TYR  47           HA       TYR  48   0.837   2.628   4.804
  374    HB2  TYR  47           HB2      TYR  48   0.193   5.573   4.507
  375    HB3  TYR  47           HB1      TYR  48  -0.874   4.395   5.256
  376    HD1  TYR  47           HD2      TYR  48   2.468   5.978   5.567
  377    HD2  TYR  47           HD1      TYR  48  -0.657   3.854   7.522
  378    HE1  TYR  47           HE2      TYR  48   3.549   6.394   7.735
  379    HE2  TYR  47           HE1      TYR  48   0.411   4.269   9.696
  380    HH   TYR  47           HH       TYR  48   2.543   4.830  10.628
  381    H    VAL  48           HN       VAL  49  -0.017   1.322   3.353
  382    HA   VAL  48           HA       VAL  49  -1.159   2.402   0.908
  383    HB   VAL  48           HB       VAL  49  -1.138  -0.449   1.889
  384   HG11  VAL  48          HG11      VAL  49  -1.742   0.755  -0.783
  385   HG12  VAL  48          HG12      VAL  49  -2.842  -0.141   0.255
  386   HG13  VAL  48          HG13      VAL  49  -1.485  -0.963  -0.518
  387   HG21  VAL  48          HG21      VAL  49   1.119   0.551   1.620
  388   HG22  VAL  48          HG22      VAL  49   0.729   0.848  -0.080
  389   HG23  VAL  48          HG23      VAL  49   0.799  -0.804   0.532
  390    H    LYS  49           HN       LYS  50  -3.038   3.344   1.129
  391    HA   LYS  49           HA       LYS  50  -4.925   2.565   3.157
  392    HB2  LYS  49           HB2      LYS  50  -4.278   4.909   2.009
  393    HB3  LYS  49           HB1      LYS  50  -5.620   4.446   0.972
  394    HG2  LYS  49           HG2      LYS  50  -7.101   4.345   2.844
  395    HG3  LYS  49           HG1      LYS  50  -5.770   4.641   3.967
  396    HD2  LYS  49           HD2      LYS  50  -6.300   6.547   1.746
  397    HD3  LYS  49           HD1      LYS  50  -7.291   6.617   3.207
  398    HE2  LYS  49           HE2      LYS  50  -4.283   6.671   3.290
  399    HE3  LYS  49           HE1      LYS  50  -5.241   8.136   3.096
  400    HZ1  LYS  49           HZ1      LYS  50  -6.317   7.715   5.182
  401    HZ2  LYS  49           HZ2      LYS  50  -4.643   7.692   5.417
  402    HZ3  LYS  49           HZ3      LYS  50  -5.511   6.241   5.363
  403    H    ILE  50           HN       ILE  51  -6.269   0.913   2.838
  404    HA   ILE  50           HA       ILE  51  -6.725   0.021   0.082
  405    HB   ILE  50           HB       ILE  51  -7.301  -2.151   1.002
  406   HG12  ILE  50          HG12      ILE  51  -6.585  -1.008   3.707
  407   HG13  ILE  50          HG11      ILE  51  -8.240  -1.247   3.156
  408   HG21  ILE  50          HG21      ILE  51  -4.792  -1.336   2.327
  409   HG22  ILE  50          HG22      ILE  51  -4.909  -1.342   0.579
  410   HG23  ILE  50          HG23      ILE  51  -5.145  -2.830   1.492
  411   HD11  ILE  50          HD11      ILE  51  -7.896  -3.625   3.038
  412   HD12  ILE  50          HD12      ILE  51  -7.440  -3.036   4.636
  413   HD13  ILE  50          HD13      ILE  51  -6.194  -3.430   3.454
  414    H    ASP  51           HN       ASP  52  -8.756  -1.163  -0.245
  415    HA   ASP  51           HA       ASP  52 -11.034   0.255   0.959
  416    HB2  ASP  51           HB2      ASP  52 -10.790   0.320  -1.530
  417    HB3  ASP  51           HB1      ASP  52 -10.941  -1.427  -1.553
  418    H    SER  52           HN       SER  53 -11.664  -0.857   2.713
  419    HA   SER  52           HA       SER  53 -11.079  -3.596   3.091
  420    HB2  SER  52           HB2      SER  53 -12.985  -1.854   4.664
  421    HB3  SER  52           HB1      SER  53 -12.256  -3.366   5.206
  422    HG   SER  52           HG       SER  53 -11.106  -0.832   4.882
  423    H    LYS  53           HN       LYS  54 -13.473  -2.304   1.183
  424    HA   LYS  53           HA       LYS  54 -15.436  -4.359   1.799
  425    HB2  LYS  53           HB2      LYS  54 -15.399  -2.113  -0.206
  426    HB3  LYS  53           HB1      LYS  54 -16.659  -3.337  -0.183
  427    HG2  LYS  53           HG2      LYS  54 -15.984  -1.476   2.087
  428    HG3  LYS  53           HG1      LYS  54 -17.337  -1.295   0.972
  429    HD2  LYS  53           HD2      LYS  54 -16.903  -3.581   2.897
  430    HD3  LYS  53           HD1      LYS  54 -18.077  -2.277   3.076
  431    HE2  LYS  53           HE2      LYS  54 -19.188  -3.017   1.013
  432    HE3  LYS  53           HE1      LYS  54 -18.029  -4.335   0.871
  433    HZ1  LYS  53           HZ1      LYS  54 -20.072  -5.108   1.853
  434    HZ2  LYS  53           HZ2      LYS  54 -19.971  -3.952   3.081
  435    HZ3  LYS  53           HZ3      LYS  54 -18.829  -5.194   2.996
  436    H    VAL  54           HN       VAL  55 -13.107  -3.553  -0.732
  437    HA   VAL  54           HA       VAL  55 -13.899  -5.930  -2.230
  438    HB   VAL  54           HB       VAL  55 -13.427  -3.771  -3.409
  439   HG11  VAL  54          HG11      VAL  55 -11.511  -3.100  -2.020
  440   HG12  VAL  54          HG12      VAL  55 -11.172  -3.034  -3.749
  441   HG13  VAL  54          HG13      VAL  55 -10.549  -4.367  -2.775
  442   HG21  VAL  54          HG21      VAL  55 -13.399  -5.871  -4.625
  443   HG22  VAL  54          HG22      VAL  55 -11.709  -6.123  -4.189
  444   HG23  VAL  54          HG23      VAL  55 -12.156  -4.785  -5.248
  445    H    THR  55           HN       THR  56 -11.389  -4.880  -0.066
  446    HA   THR  55           HA       THR  56 -10.149  -7.510  -0.269
  447    HB   THR  55           HB       THR  56  -8.891  -6.083  -1.843
  448    HG1  THR  55           HG1      THR  56  -7.354  -7.359  -1.179
  449   HG21  THR  55          HG21      THR  56  -8.390  -4.396   0.603
  450   HG22  THR  55          HG22      THR  56  -9.163  -3.904  -0.901
  451   HG23  THR  55          HG23      THR  56  -7.440  -4.282  -0.874
  452    H    ASN  56           HN       ASN  57  -8.531  -7.846   1.467
  453    HA   ASN  56           HA       ASN  57  -9.178  -6.302   3.893
  454    HB2  ASN  56           HB2      ASN  57  -8.549  -9.245   3.592
  455    HB3  ASN  56           HB1      ASN  57  -8.563  -8.416   5.142
  456   HD21  ASN  56          HD21      ASN  57 -10.166 -10.616   4.265
  457   HD22  ASN  56          HD22      ASN  57 -11.820 -10.113   4.361
  458    H    ARG  57           HN       ARG  58  -7.425  -6.033   5.404
  459    HA   ARG  57           HA       ARG  58  -5.157  -4.996   4.371
  460    HB2  ARG  57           HB2      ARG  58  -5.628  -4.534   6.637
  461    HB3  ARG  57           HB1      ARG  58  -5.632  -6.238   7.069
  462    HG2  ARG  57           HG2      ARG  58  -3.200  -6.317   6.586
  463    HG3  ARG  57           HG1      ARG  58  -3.237  -4.578   6.308
  464    HD2  ARG  57           HD2      ARG  58  -4.036  -5.933   8.877
  465    HD3  ARG  57           HD1      ARG  58  -2.463  -5.201   8.574
  466    HE   ARG  57           HE       ARG  58  -5.005  -3.706   8.630
  467   HH11  ARG  57          HH11      ARG  58  -1.555  -3.913   9.227
  468   HH12  ARG  57          HH12      ARG  58  -1.452  -2.310   9.886
  469   HH21  ARG  57          HH21      ARG  58  -4.869  -1.609   9.501
  470   HH22  ARG  57          HH22      ARG  58  -3.332  -0.998  10.036
  471    H    PHE  58           HN       PHE  59  -5.397  -8.358   5.616
  472    HA   PHE  58           HA       PHE  59  -2.588  -8.755   5.355
  473    HB2  PHE  58           HB2      PHE  59  -4.309 -10.013   6.846
  474    HB3  PHE  58           HB1      PHE  59  -4.578 -11.014   5.424
  475    HD1  PHE  58           HD1      PHE  59  -2.234 -11.813   4.305
  476    HD2  PHE  58           HD2      PHE  59  -2.853 -10.826   8.395
  477    HE1  PHE  58           HE1      PHE  59  -0.308 -13.209   4.928
  478    HE2  PHE  58           HE2      PHE  59  -0.923 -12.212   9.025
  479    HZ   PHE  58           HZ       PHE  59   0.353 -13.407   7.292
  480    H    GLU  59           HN       GLU  60  -5.350  -9.666   3.337
  481    HA   GLU  59           HA       GLU  60  -3.936 -11.266   1.507
  482    HB2  GLU  59           HB2      GLU  60  -6.453  -9.646   1.071
  483    HB3  GLU  59           HB1      GLU  60  -5.874 -10.932   0.020
  484    HG2  GLU  59           HG2      GLU  60  -6.109 -12.520   1.889
  485    HG3  GLU  59           HG1      GLU  60  -6.765 -11.219   2.879
  486    H    VAL  60           HN       VAL  61  -4.933  -7.861   1.317
  487    HA   VAL  60           HA       VAL  61  -3.647  -7.413  -1.168
  488    HB   VAL  60           HB       VAL  61  -5.561  -6.086  -0.344
  489   HG11  VAL  60          HG11      VAL  61  -5.491  -4.618   1.406
  490   HG12  VAL  60          HG12      VAL  61  -3.733  -4.488   1.378
  491   HG13  VAL  60          HG13      VAL  61  -4.502  -5.942   2.017
  492   HG21  VAL  60          HG21      VAL  61  -3.052  -4.636  -1.102
  493   HG22  VAL  60          HG22      VAL  61  -4.610  -3.824  -0.963
  494   HG23  VAL  60          HG23      VAL  61  -4.395  -5.123  -2.135
  495    H    GLU  61           HN       GLU  62  -2.708  -6.887   2.197
  496    HA   GLU  61           HA       GLU  62  -0.251  -5.613   1.920
  497    HB2  GLU  61           HB2      GLU  62  -1.504  -6.269   4.041
  498    HB3  GLU  61           HB1      GLU  62  -0.840  -7.874   3.833
  499    HG2  GLU  61           HG2      GLU  62   0.823  -5.404   4.166
  500    HG3  GLU  61           HG1      GLU  62   0.332  -6.452   5.486
  501    H    GLN  62           HN       GLN  63  -1.025  -9.070   1.818
  502    HA   GLN  62           HA       GLN  63   1.513 -10.096   1.399
  503    HB2  GLN  62           HB2      GLN  63  -0.444 -11.493   1.853
  504    HB3  GLN  62           HB1      GLN  63  -1.113 -11.090   0.278
  505    HG2  GLN  62           HG2      GLN  63   0.724 -12.208  -0.823
  506    HG3  GLN  62           HG1      GLN  63   1.475 -12.550   0.733
  507   HE21  GLN  62          HE21      GLN  63  -1.083 -13.136   2.010
  508   HE22  GLN  62          HE22      GLN  63  -1.547 -14.698   1.438
  509    H    ALA  63           HN       ALA  64  -0.843  -8.931  -0.979
  510    HA   ALA  63           HA       ALA  64   0.809  -9.434  -3.233
  511    HB1  ALA  63           HB1      ALA  64  -1.439  -7.439  -2.932
  512    HB2  ALA  63           HB2      ALA  64  -1.618  -9.131  -3.403
  513    HB3  ALA  63           HB3      ALA  64  -0.751  -8.011  -4.453
  514    H    ILE  64           HN       ILE  65   0.439  -6.658  -1.078
  515    HA   ILE  64           HA       ILE  65   1.981  -4.849  -2.592
  516    HB   ILE  64           HB       ILE  65   1.026  -4.929   0.216
  517   HG12  ILE  64          HG12      ILE  65   0.845  -2.367  -0.898
  518   HG13  ILE  64          HG11      ILE  65   0.555  -3.471  -2.233
  519   HG21  ILE  64          HG21      ILE  65   3.358  -4.335   0.555
  520   HG22  ILE  64          HG22      ILE  65   2.312  -2.944   0.841
  521   HG23  ILE  64          HG23      ILE  65   3.226  -3.066  -0.662
  522   HD11  ILE  64          HD11      ILE  65  -1.198  -4.559  -0.945
  523   HD12  ILE  64          HD12      ILE  65  -1.516  -2.842  -1.190
  524   HD13  ILE  64          HD13      ILE  65  -0.930  -3.417   0.372
  525    H    ARG  65           HN       ARG  66   2.916  -6.983   0.138
  526    HA   ARG  65           HA       ARG  66   5.613  -6.191   0.114
  527    HB2  ARG  65           HB2      ARG  66   6.043  -8.459   1.191
  528    HB3  ARG  65           HB1      ARG  66   5.027  -7.320   2.058
  529    HG2  ARG  65           HG2      ARG  66   3.623  -9.022   2.312
  530    HG3  ARG  65           HG1      ARG  66   3.233  -8.821   0.602
  531    HD2  ARG  65           HD2      ARG  66   4.647 -10.553  -0.050
  532    HD3  ARG  65           HD1      ARG  66   5.574 -10.490   1.448
  533    HE   ARG  65           HE       ARG  66   3.094 -11.208   2.273
  534   HH11  ARG  65          HH11      ARG  66   5.253 -12.487  -0.169
  535   HH12  ARG  65          HH12      ARG  66   4.743 -14.129   0.060
  536   HH21  ARG  65          HH21      ARG  66   2.431 -13.365   2.588
  537   HH22  ARG  65          HH22      ARG  66   3.129 -14.630   1.625
  538    H    GLN  66           HN       GLN  67   3.930  -8.681  -1.686
  539    HA   GLN  66           HA       GLN  67   6.201  -9.850  -2.874
  540    HB2  GLN  66           HB2      GLN  67   3.344  -9.649  -3.778
  541    HB3  GLN  66           HB1      GLN  67   4.563 -10.566  -4.658
  542    HG2  GLN  66           HG2      GLN  67   4.961 -11.932  -2.680
  543    HG3  GLN  66           HG1      GLN  67   3.739 -11.028  -1.810
  544   HE21  GLN  66          HE21      GLN  67   2.518 -12.899  -1.462
  545   HE22  GLN  66          HE22      GLN  67   1.613 -13.658  -2.725
  546    H    ALA  67           HN       ALA  68   4.365  -6.983  -3.661
  547    HA   ALA  67           HA       ALA  68   5.584  -6.536  -6.198
  548    HB1  ALA  67           HB1      ALA  68   4.122  -4.731  -4.294
  549    HB2  ALA  67           HB2      ALA  68   3.507  -5.470  -5.771
  550    HB3  ALA  67           HB3      ALA  68   4.721  -4.193  -5.862
  551    H    LEU  68           HN       LEU  69   6.544  -6.035  -2.926
  552    HA   LEU  68           HA       LEU  69   8.773  -4.313  -3.699
  553    HB2  LEU  68           HB2      LEU  69   7.849  -5.331  -1.012
  554    HB3  LEU  68           HB1      LEU  69   9.233  -4.282  -1.249
  555    HG   LEU  68           HG       LEU  69   6.451  -3.502  -2.103
  556   HD11  LEU  68          HD11      LEU  69   6.590  -3.977   0.341
  557   HD12  LEU  68          HD12      LEU  69   6.197  -2.307  -0.059
  558   HD13  LEU  68          HD13      LEU  69   7.828  -2.730   0.458
  559   HD21  LEU  68          HD21      LEU  69   8.498  -2.367  -3.067
  560   HD22  LEU  68          HD22      LEU  69   8.818  -1.770  -1.439
  561   HD23  LEU  68          HD23      LEU  69   7.330  -1.317  -2.269
  562    H    GLU  69           HN       GLU  70   8.040  -7.575  -2.806
  563    HA   GLU  69           HA       GLU  70  10.853  -8.317  -2.615
  564    HB2  GLU  69           HB2      GLU  70   8.304  -9.903  -2.168
  565    HB3  GLU  69           HB1      GLU  70   9.930 -10.564  -2.003
  566    HG2  GLU  69           HG2      GLU  70   8.724  -8.351  -0.358
  567    HG3  GLU  69           HG1      GLU  70   9.009 -10.009   0.160
  Start of MODEL    4
    1    H1   MET   0           HT1      MET   1  -9.287   6.355  -9.416
    2    H2   MET   0           HT2      MET   1  -9.445   5.905  -7.796
    3    H3   MET   0           HT3      MET   1  -8.075   5.442  -8.672
    4    HA   MET   0           HA       MET   1  -7.541   7.258  -7.205
    5    HB2  MET   0           HB2      MET   1  -6.378   7.136  -9.361
    6    HB3  MET   0           HB1      MET   1  -7.659   8.072 -10.117
    7    HG2  MET   0           HG2      MET   1  -7.098   9.982  -8.699
    8    HG3  MET   0           HG1      MET   1  -5.811   9.042  -7.950
    9    HE1  MET   0           HE1      MET   1  -6.899   9.131 -11.759
   10    HE2  MET   0           HE2      MET   1  -5.824  10.388 -12.367
   11    HE3  MET   0           HE3      MET   1  -7.086  10.794 -11.205
   12    H    GLY   1           HN       GLY   2  -8.504   8.690  -5.946
   13    HA2  GLY   1           HA2      GLY   2  -9.576  10.768  -5.568
   14    HA3  GLY   1           HA1      GLY   2 -10.348  10.627  -7.142
   15    H    LYS   2           HN       LYS   3 -11.871  11.357  -5.037
   16    HA   LYS   2           HA       LYS   3 -13.746  10.886  -3.849
   17    HB2  LYS   2           HB2      LYS   3 -13.882   8.648  -5.871
   18    HB3  LYS   2           HB1      LYS   3 -15.145   8.934  -4.686
   19    HG2  LYS   2           HG2      LYS   3 -15.876   9.950  -6.672
   20    HG3  LYS   2           HG1      LYS   3 -15.337  11.267  -5.631
   21    HD2  LYS   2           HD2      LYS   3 -13.212  11.348  -6.838
   22    HD3  LYS   2           HD1      LYS   3 -13.747  10.025  -7.876
   23    HE2  LYS   2           HE2      LYS   3 -15.566  11.394  -8.718
   24    HE3  LYS   2           HE1      LYS   3 -15.106  12.706  -7.636
   25    HZ1  LYS   2           HZ1      LYS   3 -14.293  13.078  -9.876
   26    HZ2  LYS   2           HZ2      LYS   3 -13.434  11.622  -9.835
   27    HZ3  LYS   2           HZ3      LYS   3 -13.002  12.885  -8.802
   28    H    GLU   3           HN       GLU   4 -12.324  10.474  -2.035
   29    HA   GLU   3           HA       GLU   4 -11.555   7.798  -1.387
   30    HB2  GLU   3           HB2      GLU   4 -10.251   9.742  -0.638
   31    HB3  GLU   3           HB1      GLU   4 -11.611  10.280   0.336
   32    HG2  GLU   3           HG2      GLU   4 -11.439   8.274   1.706
   33    HG3  GLU   3           HG1      GLU   4 -10.091   7.711   0.719
   34    HA   PRO   4           HA       PRO   5 -15.494   6.901   0.555
   35    HB2  PRO   4           HB2      PRO   5 -15.196   4.232   0.586
   36    HB3  PRO   4           HB1      PRO   5 -15.582   5.108  -0.896
   37    HG2  PRO   4           HG2      PRO   5 -13.016   3.915  -0.012
   38    HG3  PRO   4           HG1      PRO   5 -13.673   4.095  -1.646
   39    HD2  PRO   4           HD2      PRO   5 -11.765   5.738  -0.424
   40    HD3  PRO   4           HD1      PRO   5 -12.642   6.090  -1.920
   41    HA   PRO   5           HA       PRO   6 -14.012   6.523   4.765
   42    HB2  PRO   5           HB2      PRO   6 -16.724   5.737   5.529
   43    HB3  PRO   5           HB1      PRO   6 -15.830   7.201   5.940
   44    HG2  PRO   5           HG2      PRO   6 -17.943   7.232   4.266
   45    HG3  PRO   5           HG1      PRO   6 -16.567   8.333   4.076
   46    HD2  PRO   5           HD2      PRO   6 -17.183   5.797   2.596
   47    HD3  PRO   5           HD1      PRO   6 -16.593   7.352   1.972
   48    H    TYR   6           HN       TYR   7 -13.630   4.243   3.126
   49    HA   TYR   6           HA       TYR   7 -13.943   2.136   5.149
   50    HB2  TYR   6           HB2      TYR   7 -14.178   1.744   2.165
   51    HB3  TYR   6           HB1      TYR   7 -14.244   0.471   3.373
   52    HD1  TYR   6           HD1      TYR   7 -16.118   0.856   5.231
   53    HD2  TYR   6           HD2      TYR   7 -16.169   2.547   1.328
   54    HE1  TYR   6           HE1      TYR   7 -18.555   1.139   5.388
   55    HE2  TYR   6           HE2      TYR   7 -18.605   2.834   1.478
   56    HH   TYR   6           HH       TYR   7 -20.322   2.495   4.406
   57    H    VAL   7           HN       VAL   8 -11.918   4.088   3.497
   58    HA   VAL   7           HA       VAL   8  -9.865   2.289   2.738
   59    HB   VAL   7           HB       VAL   8  -8.435   4.370   2.675
   60   HG11  VAL   7          HG11      VAL   8  -9.578   3.491   0.719
   61   HG12  VAL   7          HG12      VAL   8  -9.549   5.253   0.688
   62   HG13  VAL   7          HG13      VAL   8 -11.026   4.401   1.140
   63   HG21  VAL   7          HG21      VAL   8  -9.634   5.677   4.351
   64   HG22  VAL   7          HG22      VAL   8 -11.056   5.718   3.309
   65   HG23  VAL   7          HG23      VAL   8  -9.572   6.528   2.807
   66    H    SER   8           HN       SER   9  -8.656   1.167   4.033
   67    HA   SER   8           HA       SER   9  -8.151   2.126   6.758
   68    HB2  SER   8           HB2      SER   9  -7.424  -0.557   5.561
   69    HB3  SER   8           HB1      SER   9  -7.481  -0.126   7.271
   70    HG   SER   8           HG       SER   9  -9.847   0.434   6.164
   71    H    SER   9           HN       SER  10  -6.072   2.509   7.522
   72    HA   SER   9           HA       SER  10  -4.113   3.044   5.420
   73    HB2  SER   9           HB2      SER  10  -3.904   3.843   8.324
   74    HB3  SER   9           HB1      SER  10  -3.123   4.587   6.928
   75    HG   SER   9           HG       SER  10  -5.671   4.934   7.933
   76    H    LEU  10           HN       LEU  11  -2.841   1.329   4.991
   77    HA   LEU  10           HA       LEU  11  -1.955  -0.382   7.205
   78    HB2  LEU  10           HB2      LEU  11  -1.292  -0.804   4.307
   79    HB3  LEU  10           HB1      LEU  11  -1.344  -1.990   5.592
   80    HG   LEU  10           HG       LEU  11  -3.649  -0.733   4.130
   81   HD11  LEU  10          HD11      LEU  11  -2.711  -3.571   4.503
   82   HD12  LEU  10          HD12      LEU  11  -2.628  -2.605   3.029
   83   HD13  LEU  10          HD13      LEU  11  -4.194  -3.092   3.677
   84   HD21  LEU  10          HD21      LEU  11  -3.727  -2.343   6.674
   85   HD22  LEU  10          HD22      LEU  11  -5.118  -2.078   5.629
   86   HD23  LEU  10          HD23      LEU  11  -4.334  -0.710   6.418
   87    H    ARG  11           HN       ARG  12   0.042  -0.131   8.061
   88    HA   ARG  11           HA       ARG  12   1.956   1.527   6.624
   89    HB2  ARG  11           HB2      ARG  12   1.689   2.016   8.984
   90    HB3  ARG  11           HB1      ARG  12   2.067   0.350   9.405
   91    HG2  ARG  11           HG2      ARG  12   4.324   0.598   8.710
   92    HG3  ARG  11           HG1      ARG  12   3.987   2.160   7.965
   93    HD2  ARG  11           HD2      ARG  12   3.602   3.160  10.103
   94    HD3  ARG  11           HD1      ARG  12   3.717   1.600  10.912
   95    HE   ARG  11           HE       ARG  12   6.103   1.663   9.873
   96   HH11  ARG  11          HH11      ARG  12   4.403   4.447  11.212
   97   HH12  ARG  11          HH12      ARG  12   5.867   5.195  11.774
   98   HH21  ARG  11          HH21      ARG  12   7.990   2.683  10.626
   99   HH22  ARG  11          HH22      ARG  12   7.877   4.220  11.437
  100    H    ILE  12           HN       ILE  13   3.054   0.520   5.122
  101    HA   ILE  12           HA       ILE  13   3.823  -2.277   5.426
  102    HB   ILE  12           HB       ILE  13   4.650  -0.688   3.049
  103   HG12  ILE  12          HG12      ILE  13   2.361   0.102   3.376
  104   HG13  ILE  12          HG11      ILE  13   2.463  -0.948   1.970
  105   HG21  ILE  12          HG21      ILE  13   3.558  -3.457   3.450
  106   HG22  ILE  12          HG22      ILE  13   5.244  -3.013   3.195
  107   HG23  ILE  12          HG23      ILE  13   4.066  -2.789   1.900
  108   HD11  ILE  12          HD11      ILE  13   1.501  -2.785   3.278
  109   HD12  ILE  12          HD12      ILE  13   0.443  -1.379   3.246
  110   HD13  ILE  12          HD13      ILE  13   1.404  -1.725   4.682
  111    H    GLU  13           HN       GLU  14   5.827  -2.842   6.049
  112    HA   GLU  13           HA       GLU  14   7.840  -0.840   6.475
  113    HB2  GLU  13           HB2      GLU  14   7.802  -3.837   6.794
  114    HB3  GLU  13           HB1      GLU  14   9.274  -2.903   7.014
  115    HG2  GLU  13           HG2      GLU  14   8.267  -3.338   9.147
  116    HG3  GLU  13           HG1      GLU  14   8.168  -1.618   8.793
  117    H    ILE  14           HN       ILE  15   8.868   0.009   4.810
  118    HA   ILE  14           HA       ILE  15   9.061  -1.166   2.252
  119    HB   ILE  14           HB       ILE  15  10.673   1.100   3.440
  120   HG12  ILE  14          HG12      ILE  15   8.217   1.150   1.684
  121   HG13  ILE  14          HG11      ILE  15   8.262   1.542   3.398
  122   HG21  ILE  14          HG21      ILE  15  11.562  -0.123   1.348
  123   HG22  ILE  14          HG22      ILE  15  11.473   1.640   1.338
  124   HG23  ILE  14          HG23      ILE  15  10.235   0.691   0.515
  125   HD11  ILE  14          HD11      ILE  15   8.258   3.500   1.826
  126   HD12  ILE  14          HD12      ILE  15   9.881   3.020   1.351
  127   HD13  ILE  14          HD13      ILE  15   9.549   3.482   3.019
  128    HA   PRO  15           HA       PRO  16  12.585  -3.882   2.680
  129    HB2  PRO  15           HB2      PRO  16  13.245  -3.138  -0.079
  130    HB3  PRO  15           HB1      PRO  16  12.815  -4.714   0.575
  131    HG2  PRO  15           HG2      PRO  16  11.188  -3.210  -1.026
  132    HG3  PRO  15           HG1      PRO  16  10.608  -4.439   0.098
  133    HD2  PRO  15           HD2      PRO  16  10.472  -1.508   0.280
  134    HD3  PRO  15           HD1      PRO  16   9.478  -2.729   1.077
  135    H    ALA  16           HN       ALA  17  14.800  -3.640   2.974
  136    HA   ALA  16           HA       ALA  17  15.683  -1.023   3.574
  137    HB1  ALA  16           HB1      ALA  17  17.298  -3.560   3.380
  138    HB2  ALA  16           HB2      ALA  17  16.435  -2.997   4.810
  139    HB3  ALA  16           HB3      ALA  17  17.796  -2.070   4.179
  140    H    ASP  17           HN       ASP  18  15.933  -2.977   0.734
  141    HA   ASP  17           HA       ASP  18  18.057  -1.366  -0.413
  142    HB2  ASP  17           HB2      ASP  18  17.934  -3.781  -0.899
  143    HB3  ASP  17           HB1      ASP  18  16.363  -3.544  -1.656
  144    H    ILE  18           HN       ILE  19  14.594  -1.752  -0.659
  145    HA   ILE  18           HA       ILE  19  14.286  -0.122  -2.985
  146    HB   ILE  18           HB       ILE  19  12.379  -1.392  -1.050
  147   HG12  ILE  18          HG12      ILE  19  11.546  -2.535  -3.021
  148   HG13  ILE  18          HG11      ILE  19  12.539  -1.537  -4.067
  149   HG21  ILE  18          HG21      ILE  19  11.435   0.814  -1.444
  150   HG22  ILE  18          HG22      ILE  19  10.474  -0.431  -2.243
  151   HG23  ILE  18          HG23      ILE  19  11.573   0.576  -3.186
  152   HD11  ILE  18          HD11      ILE  19  13.674  -3.413  -2.021
  153   HD12  ILE  18          HD12      ILE  19  14.525  -2.598  -3.330
  154   HD13  ILE  18          HD13      ILE  19  13.355  -3.867  -3.693
  155    H    ALA  19           HN       ALA  20  13.742   2.003  -3.137
  156    HA   ALA  19           HA       ALA  20  14.230   3.622  -0.778
  157    HB1  ALA  19           HB1      ALA  20  14.125   5.511  -2.432
  158    HB2  ALA  19           HB2      ALA  20  13.918   4.297  -3.695
  159    HB3  ALA  19           HB3      ALA  20  15.392   4.321  -2.727
  160    H    ALA  20           HN       ALA  21  12.801   4.944   0.189
  161    HA   ALA  20           HA       ALA  21   9.995   4.630  -0.241
  162    HB1  ALA  20           HB1      ALA  21   9.811   6.405   1.504
  163    HB2  ALA  20           HB2      ALA  21  11.566   6.575   1.453
  164    HB3  ALA  20           HB3      ALA  21  10.846   5.058   1.985
  165    H    ASN  21           HN       ASN  22   9.496   5.299  -2.330
  166    HA   ASN  21           HA       ASN  22   9.578   8.164  -2.799
  167    HB2  ASN  21           HB2      ASN  22  10.551   7.858  -5.084
  168    HB3  ASN  21           HB1      ASN  22  11.681   7.525  -3.780
  169   HD21  ASN  21          HD21      ASN  22  12.949   6.305  -5.212
  170   HD22  ASN  21          HD22      ASN  22  12.490   4.710  -5.695
  171    H    GLU  22           HN       GLU  23   8.585   8.538  -5.153
  172    HA   GLU  22           HA       GLU  23   5.924   7.639  -4.991
  173    HB2  GLU  22           HB2      GLU  23   6.553   9.764  -6.029
  174    HB3  GLU  22           HB1      GLU  23   7.381   8.904  -7.317
  175    HG2  GLU  22           HG2      GLU  23   5.265   7.945  -8.047
  176    HG3  GLU  22           HG1      GLU  23   4.430   8.795  -6.746
  177    H    ALA  23           HN       ALA  24   8.702   6.390  -6.717
  178    HA   ALA  23           HA       ALA  24   7.416   4.698  -8.534
  179    HB1  ALA  23           HB1      ALA  24   9.827   5.152  -8.564
  180    HB2  ALA  23           HB2      ALA  24   9.480   3.424  -8.586
  181    HB3  ALA  23           HB3      ALA  24  10.017   4.196  -7.095
  182    H    LEU  24           HN       LEU  25   8.262   4.218  -5.138
  183    HA   LEU  24           HA       LEU  25   7.329   1.582  -4.849
  184    HB2  LEU  24           HB2      LEU  25   8.667   2.792  -3.152
  185    HB3  LEU  24           HB1      LEU  25   7.305   3.838  -2.838
  186    HG   LEU  24           HG       LEU  25   6.837   0.928  -2.491
  187   HD11  LEU  24          HD11      LEU  25   8.364   2.542  -0.453
  188   HD12  LEU  24          HD12      LEU  25   9.092   1.332  -1.513
  189   HD13  LEU  24          HD13      LEU  25   7.871   0.851  -0.336
  190   HD21  LEU  24          HD21      LEU  25   6.098   3.377  -0.888
  191   HD22  LEU  24          HD22      LEU  25   5.521   1.735  -0.601
  192   HD23  LEU  24          HD23      LEU  25   5.078   2.578  -2.084
  193    H    LYS  25           HN       LYS  26   5.742   4.696  -4.587
  194    HA   LYS  25           HA       LYS  26   3.226   3.828  -3.708
  195    HB2  LYS  25           HB2      LYS  26   3.878   6.143  -3.570
  196    HB3  LYS  25           HB1      LYS  26   4.051   6.248  -5.312
  197    HG2  LYS  25           HG2      LYS  26   1.686   5.992  -5.606
  198    HG3  LYS  25           HG1      LYS  26   1.472   5.729  -3.881
  199    HD2  LYS  25           HD2      LYS  26   2.084   7.942  -3.362
  200    HD3  LYS  25           HD1      LYS  26   2.673   8.234  -4.994
  201    HE2  LYS  25           HE2      LYS  26   0.306   7.843  -5.788
  202    HE3  LYS  25           HE1      LYS  26  -0.175   7.838  -4.098
  203    HZ1  LYS  25           HZ1      LYS  26   1.149  10.097  -5.499
  204    HZ2  LYS  25           HZ2      LYS  26   0.677  10.089  -3.874
  205    HZ3  LYS  25           HZ3      LYS  26  -0.490  10.016  -5.096
  206    H    VAL  26           HN       VAL  27   4.365   4.568  -7.004
  207    HA   VAL  26           HA       VAL  27   1.873   4.078  -8.213
  208    HB   VAL  26           HB       VAL  27   3.036   4.065 -10.360
  209   HG11  VAL  26          HG11      VAL  27   4.030   6.168  -8.449
  210   HG12  VAL  26          HG12      VAL  27   2.506   6.194  -9.337
  211   HG13  VAL  26          HG13      VAL  27   4.036   6.305 -10.207
  212   HG21  VAL  26          HG21      VAL  27   5.010   2.808  -9.816
  213   HG22  VAL  26          HG22      VAL  27   5.549   4.063  -8.703
  214   HG23  VAL  26          HG23      VAL  27   5.487   4.388 -10.435
  215    H    ARG  27           HN       ARG  28   4.602   1.905  -7.575
  216    HA   ARG  27           HA       ARG  28   3.532  -0.225  -9.137
  217    HB2  ARG  27           HB2      ARG  28   5.188  -1.646  -8.150
  218    HB3  ARG  27           HB1      ARG  28   5.937  -0.081  -8.423
  219    HG2  ARG  27           HG2      ARG  28   5.876   0.455  -6.125
  220    HG3  ARG  27           HG1      ARG  28   4.798  -0.892  -5.768
  221    HD2  ARG  27           HD2      ARG  28   6.945  -1.546  -5.034
  222    HD3  ARG  27           HD1      ARG  28   6.641  -2.428  -6.527
  223    HE   ARG  27           HE       ARG  28   8.027  -0.036  -7.104
  224   HH11  ARG  27          HH11      ARG  28   8.504  -3.242  -5.767
  225   HH12  ARG  27          HH12      ARG  28  10.225  -3.222  -6.007
  226   HH21  ARG  27          HH21      ARG  28  10.291  -0.021  -7.423
  227   HH22  ARG  27          HH22      ARG  28  11.241  -1.389  -6.937
  228    H    LEU  28           HN       LEU  29   3.227   0.699  -5.737
  229    HA   LEU  28           HA       LEU  29   1.665  -1.574  -5.030
  230    HB2  LEU  28           HB2      LEU  29   1.928   1.091  -3.643
  231    HB3  LEU  28           HB1      LEU  29   1.220  -0.356  -2.953
  232    HG   LEU  28           HG       LEU  29   4.103   0.134  -3.638
  233   HD11  LEU  28          HD11      LEU  29   3.430   1.000  -1.508
  234   HD12  LEU  28          HD12      LEU  29   4.425  -0.435  -1.262
  235   HD13  LEU  28          HD13      LEU  29   2.673  -0.534  -1.078
  236   HD21  LEU  28          HD21      LEU  29   2.670  -2.421  -3.142
  237   HD22  LEU  28          HD22      LEU  29   4.361  -2.241  -2.693
  238   HD23  LEU  28          HD23      LEU  29   3.863  -2.043  -4.374
  239    H    LEU  29           HN       LEU  30   0.971   1.610  -6.283
  240    HA   LEU  29           HA       LEU  30  -1.790   1.695  -5.791
  241    HB2  LEU  29           HB2      LEU  30   0.018   2.981  -7.790
  242    HB3  LEU  29           HB1      LEU  30  -1.715   3.146  -7.966
  243    HG   LEU  29           HG       LEU  30  -0.142   3.984  -5.531
  244   HD11  LEU  29          HD11      LEU  30   0.469   5.525  -7.144
  245   HD12  LEU  29          HD12      LEU  30  -0.932   6.284  -6.391
  246   HD13  LEU  29          HD13      LEU  30  -1.100   5.467  -7.945
  247   HD21  LEU  29          HD21      LEU  30  -2.097   4.067  -4.503
  248   HD22  LEU  29          HD22      LEU  30  -2.932   3.534  -5.960
  249   HD23  LEU  29          HD23      LEU  30  -2.646   5.252  -5.686
  250    H    GLU  30           HN       GLU  31  -0.079  -0.466  -7.714
  251    HA   GLU  30           HA       GLU  31  -2.364  -0.916  -9.501
  252    HB2  GLU  30           HB2      GLU  31   0.389  -2.147  -9.688
  253    HB3  GLU  30           HB1      GLU  31  -0.876  -2.186 -10.909
  254    HG2  GLU  30           HG2      GLU  31  -0.692   0.339 -10.968
  255    HG3  GLU  30           HG1      GLU  31   0.782   0.150 -10.023
  256    H    THR  31           HN       THR  32  -2.026  -1.726  -6.583
  257    HA   THR  31           HA       THR  32  -2.076  -4.643  -6.815
  258    HB   THR  31           HB       THR  32  -2.212  -2.920  -4.330
  259    HG1  THR  31           HG1      THR  32  -0.204  -2.518  -4.872
  260   HG21  THR  31          HG21      THR  32  -2.838  -4.962  -3.530
  261   HG22  THR  31          HG22      THR  32  -1.088  -5.179  -3.491
  262   HG23  THR  31          HG23      THR  32  -2.031  -5.840  -4.827
  263    H    GLU  32           HN       GLU  33  -3.921  -5.867  -6.271
  264    HA   GLU  32           HA       GLU  33  -6.410  -4.603  -6.793
  265    HB2  GLU  32           HB2      GLU  33  -5.916  -6.967  -7.375
  266    HB3  GLU  32           HB1      GLU  33  -5.923  -7.362  -5.661
  267    HG2  GLU  32           HG2      GLU  33  -8.033  -7.967  -6.648
  268    HG3  GLU  32           HG1      GLU  33  -8.263  -6.632  -5.520
  269    H    GLY  33           HN       GLY  34  -7.517  -3.406  -5.430
  270    HA2  GLY  33           HA2      GLY  34  -8.898  -3.330  -3.454
  271    HA3  GLY  33           HA1      GLY  34  -7.648  -4.227  -2.604
  272    H    VAL  34           HN       VAL  35  -6.292  -1.887  -4.601
  273    HA   VAL  34           HA       VAL  35  -5.591  -0.260  -2.302
  274    HB   VAL  34           HB       VAL  35  -4.074   0.920  -3.783
  275   HG11  VAL  34          HG11      VAL  35  -3.230  -1.086  -2.824
  276   HG12  VAL  34          HG12      VAL  35  -2.653  -0.977  -4.483
  277   HG13  VAL  34          HG13      VAL  35  -3.983  -2.063  -4.079
  278   HG21  VAL  34          HG21      VAL  35  -5.447   0.972  -5.793
  279   HG22  VAL  34          HG22      VAL  35  -5.227  -0.766  -5.999
  280   HG23  VAL  34          HG23      VAL  35  -3.845   0.321  -6.138
  281    H    LYS  35           HN       LYS  36  -5.795   2.015  -2.277
  282    HA   LYS  35           HA       LYS  36  -7.718   3.200  -4.149
  283    HB2  LYS  35           HB2      LYS  36  -7.706   3.403  -1.139
  284    HB3  LYS  35           HB1      LYS  36  -8.530   4.579  -2.156
  285    HG2  LYS  35           HG2      LYS  36  -9.093   1.645  -2.358
  286    HG3  LYS  35           HG1      LYS  36  -9.921   2.680  -1.199
  287    HD2  LYS  35           HD2      LYS  36 -10.909   3.954  -2.886
  288    HD3  LYS  35           HD1      LYS  36  -9.804   3.351  -4.115
  289    HE2  LYS  35           HE2      LYS  36 -11.691   1.532  -2.668
  290    HE3  LYS  35           HE1      LYS  36 -12.206   2.444  -4.088
  291    HZ1  LYS  35           HZ1      LYS  36 -10.519   1.381  -5.395
  292    HZ2  LYS  35           HZ2      LYS  36 -11.426   0.184  -4.620
  293    HZ3  LYS  35           HZ3      LYS  36  -9.889   0.583  -4.044
  294    H    GLU  36           HN       GLU  37  -5.049   3.551  -1.936
  295    HA   GLU  36           HA       GLU  37  -3.838   5.643  -3.404
  296    HB2  GLU  36           HB2      GLU  37  -5.354   7.162  -2.518
  297    HB3  GLU  36           HB1      GLU  37  -5.474   6.305  -0.990
  298    HG2  GLU  36           HG2      GLU  37  -3.451   7.159  -0.229
  299    HG3  GLU  36           HG1      GLU  37  -2.986   7.744  -1.831
  300    H    VAL  37           HN       VAL  38  -1.682   5.847  -2.825
  301    HA   VAL  37           HA       VAL  38  -0.838   4.239  -0.506
  302    HB   VAL  37           HB       VAL  38   0.542   4.409  -3.188
  303   HG11  VAL  37          HG11      VAL  38   2.133   4.412  -1.307
  304   HG12  VAL  37          HG12      VAL  38   2.225   2.931  -2.258
  305   HG13  VAL  37          HG13      VAL  38   1.396   2.931  -0.703
  306   HG21  VAL  37          HG21      VAL  38  -0.401   1.923  -1.830
  307   HG22  VAL  37          HG22      VAL  38  -0.027   2.181  -3.533
  308   HG23  VAL  37          HG23      VAL  38  -1.493   2.873  -2.834
  309    H    LEU  38           HN       LEU  39   0.411   5.212   0.905
  310    HA   LEU  38           HA       LEU  39   1.520   7.855   0.247
  311    HB2  LEU  38           HB2      LEU  39   0.551   6.611   2.779
  312    HB3  LEU  38           HB1      LEU  39   1.659   7.964   2.825
  313    HG   LEU  38           HG       LEU  39  -0.029   9.285   1.523
  314   HD11  LEU  38          HD11      LEU  39  -1.733   6.870   2.098
  315   HD12  LEU  38          HD12      LEU  39  -1.323   7.532   0.517
  316   HD13  LEU  38          HD13      LEU  39  -2.366   8.441   1.610
  317   HD21  LEU  38          HD21      LEU  39   0.331   9.162   4.042
  318   HD22  LEU  38          HD22      LEU  39  -1.178   8.249   4.083
  319   HD23  LEU  38          HD23      LEU  39  -1.160   9.900   3.456
  320    H    ILE  39           HN       ILE  40   3.651   8.269   0.555
  321    HA   ILE  39           HA       ILE  40   5.327   6.041   1.468
  322    HB   ILE  39           HB       ILE  40   5.826   8.363  -0.339
  323   HG12  ILE  39          HG12      ILE  40   7.066   6.667  -1.620
  324   HG13  ILE  39          HG11      ILE  40   6.751   5.485  -0.358
  325   HG21  ILE  39          HG21      ILE  40   7.860   7.163   1.497
  326   HG22  ILE  39          HG22      ILE  40   7.550   8.863   1.130
  327   HG23  ILE  39          HG23      ILE  40   8.325   7.830  -0.072
  328   HD11  ILE  39          HD11      ILE  40   4.459   5.440  -0.861
  329   HD12  ILE  39          HD12      ILE  40   5.308   5.358  -2.401
  330   HD13  ILE  39          HD13      ILE  40   4.575   6.875  -1.874
  331    H    ALA  40           HN       ALA  41   6.359   6.144   3.336
  332    HA   ALA  40           HA       ALA  41   6.649   8.763   4.655
  333    HB1  ALA  40           HB1      ALA  41   6.248   6.048   5.894
  334    HB2  ALA  40           HB2      ALA  41   5.095   7.383   5.892
  335    HB3  ALA  40           HB3      ALA  41   6.603   7.521   6.797
  336    H    GLU  41           HN       GLU  42   8.642   9.060   3.612
  337    HA   GLU  41           HA       GLU  42  10.737   7.232   3.413
  338    HB2  GLU  41           HB2      GLU  42  10.851  10.230   3.647
  339    HB3  GLU  41           HB1      GLU  42  12.177   9.223   3.100
  340    HG2  GLU  41           HG2      GLU  42  10.952   8.589   1.148
  341    HG3  GLU  41           HG1      GLU  42   9.503   9.402   1.739
  342    H    GLU  42           HN       GLU  43   9.989   9.589   5.926
  343    HA   GLU  42           HA       GLU  43  12.351   9.259   7.433
  344    HB2  GLU  42           HB2      GLU  43  10.840  11.206   7.598
  345    HB3  GLU  42           HB1      GLU  43   9.625  10.186   8.351
  346    HG2  GLU  42           HG2      GLU  43  11.132   9.787  10.226
  347    HG3  GLU  42           HG1      GLU  43  12.344  10.809   9.457
  348    H    GLU  43           HN       GLU  44   9.389   7.472   7.282
  349    HA   GLU  43           HA       GLU  44  10.018   5.967   9.707
  350    HB2  GLU  43           HB2      GLU  44   7.671   5.723   7.813
  351    HB3  GLU  43           HB1      GLU  44   7.845   4.883   9.346
  352    HG2  GLU  43           HG2      GLU  44   7.637   7.866   9.007
  353    HG3  GLU  43           HG1      GLU  44   6.319   6.793   9.475
  354    H    HIS  44           HN       HIS  45  10.719   5.916   6.474
  355    HA   HIS  44           HA       HIS  45  11.139   4.407   4.838
  356    HB2  HIS  44           HB2      HIS  45  12.950   3.906   6.623
  357    HB3  HIS  44           HB1      HIS  45  12.002   2.466   6.976
  358    HD1  HIS  44           HD1      HIS  45  14.081   4.034   4.253
  359    HD2  HIS  44           HD2      HIS  45  12.230   0.412   5.118
  360    HE1  HIS  44           HE1      HIS  45  14.925   2.413   2.529
  361    HE2  HIS  44           HE2      HIS  45  13.663   0.280   2.966
  362    H    SER  45           HN       SER  46   8.540   4.520   5.594
  363    HA   SER  45           HA       SER  46   7.627   1.768   5.181
  364    HB2  SER  45           HB2      SER  46   6.415   3.661   7.216
  365    HB3  SER  45           HB1      SER  46   5.872   2.023   6.858
  366    HG   SER  45           HG       SER  46   8.541   2.228   7.518
  367    H    ALA  46           HN       ALA  47   5.297   1.743   4.511
  368    HA   ALA  46           HA       ALA  47   4.541   4.194   3.023
  369    HB1  ALA  46           HB1      ALA  47   5.209   2.291   1.566
  370    HB2  ALA  46           HB2      ALA  47   3.537   2.788   1.341
  371    HB3  ALA  46           HB3      ALA  47   3.909   1.337   2.270
  372    H    TYR  47           HN       TYR  48   2.328   4.808   3.177
  373    HA   TYR  47           HA       TYR  48   0.705   3.060   4.902
  374    HB2  TYR  47           HB2      TYR  48   0.610   6.057   4.560
  375    HB3  TYR  47           HB1      TYR  48  -0.707   5.151   5.293
  376    HD1  TYR  47           HD1      TYR  48  -0.361   3.989   7.441
  377    HD2  TYR  47           HD2      TYR  48   2.649   6.472   5.745
  378    HE1  TYR  47           HE1      TYR  48   0.782   4.078   9.615
  379    HE2  TYR  47           HE2      TYR  48   3.801   6.567   7.916
  380    HH   TYR  47           HH       TYR  48   3.137   6.301  10.362
  381    H    VAL  48           HN       VAL  49  -0.448   1.815   3.668
  382    HA   VAL  48           HA       VAL  49  -1.414   2.808   1.096
  383    HB   VAL  48           HB       VAL  49  -1.400   0.001   2.199
  384   HG11  VAL  48          HG11      VAL  49  -2.083   1.011  -0.538
  385   HG12  VAL  48          HG12      VAL  49  -3.189   0.267   0.609
  386   HG13  VAL  48          HG13      VAL  49  -1.887  -0.683  -0.109
  387   HG21  VAL  48          HG21      VAL  49   0.839   0.950   1.787
  388   HG22  VAL  48          HG22      VAL  49   0.369   1.251   0.110
  389   HG23  VAL  48          HG23      VAL  49   0.458  -0.402   0.716
  390    H    LYS  49           HN       LYS  50  -3.302   3.570   0.932
  391    HA   LYS  49           HA       LYS  50  -5.437   3.086   2.802
  392    HB2  LYS  49           HB2      LYS  50  -5.141   4.653   0.236
  393    HB3  LYS  49           HB1      LYS  50  -6.662   4.543   1.083
  394    HG2  LYS  49           HG2      LYS  50  -4.178   5.525   2.420
  395    HG3  LYS  49           HG1      LYS  50  -5.249   6.593   1.510
  396    HD2  LYS  49           HD2      LYS  50  -7.040   6.234   2.984
  397    HD3  LYS  49           HD1      LYS  50  -6.272   4.820   3.711
  398    HE2  LYS  49           HE2      LYS  50  -4.545   6.255   4.669
  399    HE3  LYS  49           HE1      LYS  50  -5.277   7.664   3.910
  400    HZ1  LYS  49           HZ1      LYS  50  -5.939   7.581   6.178
  401    HZ2  LYS  49           HZ2      LYS  50  -6.452   5.978   6.046
  402    HZ3  LYS  49           HZ3      LYS  50  -7.293   7.204   5.241
  403    H    ILE  50           HN       ILE  51  -6.473   1.154   2.688
  404    HA   ILE  50           HA       ILE  51  -6.729  -0.077   0.036
  405    HB   ILE  50           HB       ILE  51  -7.238  -2.180   1.157
  406   HG12  ILE  50          HG12      ILE  51  -6.336  -1.182   3.791
  407   HG13  ILE  50          HG11      ILE  51  -7.961  -0.712   3.307
  408   HG21  ILE  50          HG21      ILE  51  -4.770  -1.146   2.381
  409   HG22  ILE  50          HG22      ILE  51  -4.894  -1.276   0.638
  410   HG23  ILE  50          HG23      ILE  51  -5.057  -2.708   1.653
  411   HD11  ILE  50          HD11      ILE  51  -6.995  -3.559   3.322
  412   HD12  ILE  50          HD12      ILE  51  -8.648  -2.979   3.133
  413   HD13  ILE  50          HD13      ILE  51  -7.817  -2.792   4.678
  414    H    ASP  51           HN       ASP  52  -8.569  -1.222  -0.489
  415    HA   ASP  51           HA       ASP  52 -11.073  -0.029   0.430
  416    HB2  ASP  51           HB2      ASP  52 -10.580  -0.304  -2.016
  417    HB3  ASP  51           HB1      ASP  52 -10.563  -2.042  -1.778
  418    H    SER  52           HN       SER  53 -11.388  -0.960   2.432
  419    HA   SER  52           HA       SER  53 -10.811  -3.656   3.037
  420    HB2  SER  52           HB2      SER  53 -12.128  -3.182   5.131
  421    HB3  SER  52           HB1      SER  53 -10.832  -2.031   4.802
  422    HG   SER  52           HG       SER  53 -12.253  -0.494   4.458
  423    H    LYS  53           HN       LYS  54 -13.239  -2.458   1.133
  424    HA   LYS  53           HA       LYS  54 -15.307  -4.302   1.988
  425    HB2  LYS  53           HB2      LYS  54 -15.195  -2.354  -0.319
  426    HB3  LYS  53           HB1      LYS  54 -16.596  -3.328   0.096
  427    HG2  LYS  53           HG2      LYS  54 -15.330  -1.235   1.854
  428    HG3  LYS  53           HG1      LYS  54 -16.800  -1.030   0.900
  429    HD2  LYS  53           HD2      LYS  54 -16.422  -3.027   3.130
  430    HD3  LYS  53           HD1      LYS  54 -17.284  -1.496   3.264
  431    HE2  LYS  53           HE2      LYS  54 -18.896  -2.247   1.594
  432    HE3  LYS  53           HE1      LYS  54 -18.020  -3.766   1.418
  433    HZ1  LYS  53           HZ1      LYS  54 -18.513  -4.265   3.737
  434    HZ2  LYS  53           HZ2      LYS  54 -19.934  -4.023   2.851
  435    HZ3  LYS  53           HZ3      LYS  54 -19.368  -2.813   3.883
  436    H    VAL  54           HN       VAL  55 -12.796  -4.075  -0.422
  437    HA   VAL  54           HA       VAL  55 -13.821  -6.516  -1.701
  438    HB   VAL  54           HB       VAL  55 -13.230  -4.562  -3.169
  439   HG11  VAL  54          HG11      VAL  55 -11.245  -3.826  -1.916
  440   HG12  VAL  54          HG12      VAL  55 -10.928  -4.055  -3.635
  441   HG13  VAL  54          HG13      VAL  55 -10.392  -5.265  -2.470
  442   HG21  VAL  54          HG21      VAL  55 -13.373  -6.801  -4.075
  443   HG22  VAL  54          HG22      VAL  55 -11.704  -7.120  -3.608
  444   HG23  VAL  54          HG23      VAL  55 -12.058  -5.917  -4.848
  445    H    THR  55           HN       THR  56 -11.222  -5.294   0.264
  446    HA   THR  55           HA       THR  56 -10.063  -7.973   0.360
  447    HB   THR  55           HB       THR  56  -8.818  -6.810  -1.405
  448    HG1  THR  55           HG1      THR  56  -6.897  -7.483  -0.682
  449   HG21  THR  55          HG21      THR  56  -8.276  -4.761   0.735
  450   HG22  THR  55          HG22      THR  56  -9.049  -4.516  -0.827
  451   HG23  THR  55          HG23      THR  56  -7.328  -4.895  -0.743
  452    H    ASN  56           HN       ASN  57  -8.248  -8.014   2.043
  453    HA   ASN  56           HA       ASN  57  -8.903  -6.230   4.305
  454    HB2  ASN  56           HB2      ASN  57  -7.842  -9.058   4.531
  455    HB3  ASN  56           HB1      ASN  57  -8.379  -8.018   5.844
  456   HD21  ASN  56          HD21      ASN  57  -9.299 -10.155   3.334
  457   HD22  ASN  56          HD22      ASN  57 -10.981 -10.261   3.736
  458    H    ARG  57           HN       ARG  58  -7.057  -5.848   5.763
  459    HA   ARG  57           HA       ARG  58  -4.914  -4.738   4.559
  460    HB2  ARG  57           HB2      ARG  58  -5.333  -4.296   6.869
  461    HB3  ARG  57           HB1      ARG  58  -5.091  -5.982   7.299
  462    HG2  ARG  57           HG2      ARG  58  -2.719  -5.763   6.591
  463    HG3  ARG  57           HG1      ARG  58  -2.997  -4.042   6.354
  464    HD2  ARG  57           HD2      ARG  58  -3.193  -5.584   8.931
  465    HD3  ARG  57           HD1      ARG  58  -1.980  -4.385   8.491
  466    HE   ARG  57           HE       ARG  58  -4.717  -3.432   8.513
  467   HH11  ARG  57          HH11      ARG  58  -1.720  -3.780  10.303
  468   HH12  ARG  57          HH12      ARG  58  -2.142  -2.576  11.481
  469   HH21  ARG  57          HH21      ARG  58  -5.259  -1.844  10.049
  470   HH22  ARG  57          HH22      ARG  58  -4.150  -1.467  11.330
  471    H    PHE  58           HN       PHE  59  -4.946  -8.073   5.878
  472    HA   PHE  58           HA       PHE  59  -2.120  -8.308   5.524
  473    HB2  PHE  58           HB2      PHE  59  -3.702  -9.528   7.201
  474    HB3  PHE  58           HB1      PHE  59  -3.947 -10.668   5.884
  475    HD1  PHE  58           HD1      PHE  59  -1.623 -11.432   4.749
  476    HD2  PHE  58           HD2      PHE  59  -2.112 -10.061   8.743
  477    HE1  PHE  58           HE1      PHE  59   0.423 -12.632   5.408
  478    HE2  PHE  58           HE2      PHE  59  -0.063 -11.246   9.406
  479    HZ   PHE  58           HZ       PHE  59   1.208 -12.534   7.738
  480    H    GLU  59           HN       GLU  60  -4.922  -9.373   3.683
  481    HA   GLU  59           HA       GLU  60  -3.483 -11.126   1.968
  482    HB2  GLU  59           HB2      GLU  60  -6.131  -9.785   1.415
  483    HB3  GLU  59           HB1      GLU  60  -5.516 -11.257   0.675
  484    HG2  GLU  59           HG2      GLU  60  -6.353 -10.875   3.538
  485    HG3  GLU  59           HG1      GLU  60  -7.171 -11.827   2.303
  486    H    VAL  60           HN       VAL  61  -4.718  -7.824   1.583
  487    HA   VAL  60           HA       VAL  61  -3.602  -7.504  -1.019
  488    HB   VAL  60           HB       VAL  61  -5.548  -6.204  -0.235
  489   HG11  VAL  60          HG11      VAL  61  -4.633  -5.839   2.080
  490   HG12  VAL  60          HG12      VAL  61  -5.406  -4.454   1.318
  491   HG13  VAL  60          HG13      VAL  61  -3.645  -4.549   1.390
  492   HG21  VAL  60          HG21      VAL  61  -3.153  -4.619  -1.101
  493   HG22  VAL  60          HG22      VAL  61  -4.800  -3.997  -1.104
  494   HG23  VAL  60          HG23      VAL  61  -4.372  -5.367  -2.129
  495    H    GLU  61           HN       GLU  62  -2.547  -6.737   2.252
  496    HA   GLU  61           HA       GLU  62  -0.176  -5.367   1.742
  497    HB2  GLU  61           HB2      GLU  62  -1.269  -5.836   3.974
  498    HB3  GLU  61           HB1      GLU  62  -0.620  -7.456   3.879
  499    HG2  GLU  61           HG2      GLU  62   1.116  -5.017   3.852
  500    HG3  GLU  61           HG1      GLU  62   0.595  -5.806   5.329
  501    H    GLN  62           HN       GLN  63  -0.841  -8.836   1.892
  502    HA   GLN  62           HA       GLN  63   1.696  -9.842   1.406
  503    HB2  GLN  62           HB2      GLN  63  -0.383 -11.162   1.946
  504    HB3  GLN  62           HB1      GLN  63  -0.865 -10.964   0.267
  505    HG2  GLN  62           HG2      GLN  63   1.180 -12.119  -0.437
  506    HG3  GLN  62           HG1      GLN  63   1.598 -12.372   1.258
  507   HE21  GLN  62          HE21      GLN  63   1.160 -14.363  -0.761
  508   HE22  GLN  62          HE22      GLN  63  -0.162 -15.339  -0.223
  509    H    ALA  63           HN       ALA  64  -0.804  -8.866  -0.918
  510    HA   ALA  63           HA       ALA  64   0.736  -9.386  -3.227
  511    HB1  ALA  63           HB1      ALA  64  -1.514  -7.413  -2.850
  512    HB2  ALA  63           HB2      ALA  64  -1.679  -9.105  -3.320
  513    HB3  ALA  63           HB3      ALA  64  -0.878  -7.965  -4.399
  514    H    ILE  64           HN       ILE  65   0.365  -6.480  -1.230
  515    HA   ILE  64           HA       ILE  65   1.867  -4.733  -2.826
  516    HB   ILE  64           HB       ILE  65   0.977  -4.736   0.000
  517   HG12  ILE  64          HG12      ILE  65   0.761  -2.202  -1.171
  518   HG13  ILE  64          HG11      ILE  65   0.455  -3.338  -2.475
  519   HG21  ILE  64          HG21      ILE  65   3.307  -4.122   0.293
  520   HG22  ILE  64          HG22      ILE  65   2.259  -2.730   0.560
  521   HG23  ILE  64          HG23      ILE  65   3.155  -2.881  -0.950
  522   HD11  ILE  64          HD11      ILE  65  -1.305  -4.375  -1.204
  523   HD12  ILE  64          HD12      ILE  65  -1.589  -2.640  -1.348
  524   HD13  ILE  64          HD13      ILE  65  -0.976  -3.312   0.163
  525    H    ARG  65           HN       ARG  66   2.933  -6.793  -0.089
  526    HA   ARG  65           HA       ARG  66   5.598  -5.896  -0.201
  527    HB2  ARG  65           HB2      ARG  66   6.153  -8.027   1.000
  528    HB3  ARG  65           HB1      ARG  66   5.014  -6.964   1.808
  529    HG2  ARG  65           HG2      ARG  66   3.967  -8.936   2.153
  530    HG3  ARG  65           HG1      ARG  66   3.308  -8.596   0.551
  531    HD2  ARG  65           HD2      ARG  66   4.176 -10.915   0.818
  532    HD3  ARG  65           HD1      ARG  66   4.938 -10.009  -0.488
  533    HE   ARG  65           HE       ARG  66   6.549  -9.618   1.704
  534   HH11  ARG  65          HH11      ARG  66   5.401 -12.420  -0.065
  535   HH12  ARG  65          HH12      ARG  66   6.842 -13.341   0.225
  536   HH21  ARG  65          HH21      ARG  66   8.439 -10.827   2.070
  537   HH22  ARG  65          HH22      ARG  66   8.564 -12.440   1.437
  538    H    GLN  66           HN       GLN  67   3.952  -8.470  -1.884
  539    HA   GLN  66           HA       GLN  67   6.233  -9.624  -3.092
  540    HB2  GLN  66           HB2      GLN  67   3.373  -9.524  -4.027
  541    HB3  GLN  66           HB1      GLN  67   4.623 -10.541  -4.740
  542    HG2  GLN  66           HG2      GLN  67   4.905 -11.709  -2.637
  543    HG3  GLN  66           HG1      GLN  67   3.710 -10.668  -1.884
  544   HE21  GLN  66          HE21      GLN  67   2.045 -10.676  -4.336
  545   HE22  GLN  66          HE22      GLN  67   1.259 -12.215  -4.346
  546    H    ALA  67           HN       ALA  68   4.299  -6.830  -3.896
  547    HA   ALA  67           HA       ALA  68   5.421  -6.424  -6.489
  548    HB1  ALA  67           HB1      ALA  68   3.999  -4.602  -4.570
  549    HB2  ALA  67           HB2      ALA  68   3.354  -5.362  -6.024
  550    HB3  ALA  67           HB3      ALA  68   4.553  -4.074  -6.157
  551    H    LEU  68           HN       LEU  69   6.468  -5.871  -3.276
  552    HA   LEU  68           HA       LEU  69   8.669  -4.141  -4.086
  553    HB2  LEU  68           HB2      LEU  69   7.829  -5.248  -1.403
  554    HB3  LEU  68           HB1      LEU  69   9.219  -4.204  -1.644
  555    HG   LEU  68           HG       LEU  69   6.446  -3.344  -2.438
  556   HD11  LEU  68          HD11      LEU  69   6.472  -3.946  -0.037
  557   HD12  LEU  68          HD12      LEU  69   6.227  -2.224  -0.318
  558   HD13  LEU  68          HD13      LEU  69   7.803  -2.817   0.200
  559   HD21  LEU  68          HD21      LEU  69   8.571  -2.207  -3.270
  560   HD22  LEU  68          HD22      LEU  69   8.791  -1.666  -1.606
  561   HD23  LEU  68          HD23      LEU  69   7.354  -1.185  -2.507
  562    H    GLU  69           HN       GLU  70   8.033  -7.395  -2.955
  563    HA   GLU  69           HA       GLU  70  10.814  -8.168  -2.983
  564    HB2  GLU  69           HB2      GLU  70   8.244  -9.702  -2.516
  565    HB3  GLU  69           HB1      GLU  70   9.840 -10.445  -2.482
  566    HG2  GLU  69           HG2      GLU  70   8.894  -8.238  -0.668
  567    HG3  GLU  69           HG1      GLU  70   9.004  -9.946  -0.245
  Start of MODEL    5
    1    H1   MET   0           HT1      MET   1  -5.840  12.946  -2.014
    2    H2   MET   0           HT2      MET   1  -5.755  12.173  -3.517
    3    H3   MET   0           HT3      MET   1  -6.785  11.578  -2.317
    4    HA   MET   0           HA       MET   1  -8.118  13.564  -2.410
    5    HB2  MET   0           HB2      MET   1  -7.749  15.221  -4.162
    6    HB3  MET   0           HB1      MET   1  -6.336  15.111  -3.125
    7    HG2  MET   0           HG2      MET   1  -6.576  13.736  -5.789
    8    HG3  MET   0           HG1      MET   1  -5.846  15.321  -5.558
    9    HE1  MET   0           HE1      MET   1  -3.598  15.757  -4.286
   10    HE2  MET   0           HE2      MET   1  -2.694  14.518  -3.419
   11    HE3  MET   0           HE3      MET   1  -4.272  15.032  -2.826
   12    H    GLY   1           HN       GLY   2  -9.770  13.922  -4.154
   13    HA2  GLY   1           HA2      GLY   2 -11.074  13.152  -5.908
   14    HA3  GLY   1           HA1      GLY   2  -9.792  12.027  -6.330
   15    H    LYS   2           HN       LYS   3  -9.595  10.070  -5.081
   16    HA   LYS   2           HA       LYS   3 -12.179   9.213  -3.985
   17    HB2  LYS   2           HB2      LYS   3  -9.906   7.653  -5.204
   18    HB3  LYS   2           HB1      LYS   3 -11.225   6.884  -4.330
   19    HG2  LYS   2           HG2      LYS   3 -12.825   7.830  -5.918
   20    HG3  LYS   2           HG1      LYS   3 -11.498   8.589  -6.797
   21    HD2  LYS   2           HD2      LYS   3 -10.577   6.437  -7.362
   22    HD3  LYS   2           HD1      LYS   3 -11.772   5.619  -6.353
   23    HE2  LYS   2           HE2      LYS   3 -12.354   5.503  -8.733
   24    HE3  LYS   2           HE1      LYS   3 -13.560   6.390  -7.803
   25    HZ1  LYS   2           HZ1      LYS   3 -11.414   7.622  -9.446
   26    HZ2  LYS   2           HZ2      LYS   3 -12.605   8.460  -8.583
   27    HZ3  LYS   2           HZ3      LYS   3 -13.038   7.485  -9.896
   28    H    GLU   3           HN       GLU   4 -11.968   9.965  -1.922
   29    HA   GLU   3           HA       GLU   4  -9.992   8.545  -0.267
   30    HB2  GLU   3           HB2      GLU   4  -9.434  10.969  -0.542
   31    HB3  GLU   3           HB1      GLU   4 -10.986  11.370   0.177
   32    HG2  GLU   3           HG2      GLU   4  -9.195  11.575   1.790
   33    HG3  GLU   3           HG1      GLU   4 -10.316  10.298   2.251
   34    HA   PRO   4           HA       PRO   5 -14.296   7.701   1.190
   35    HB2  PRO   4           HB2      PRO   5 -13.651   4.901   1.198
   36    HB3  PRO   4           HB1      PRO   5 -14.779   5.755   0.149
   37    HG2  PRO   4           HG2      PRO   5 -12.438   4.605  -0.705
   38    HG3  PRO   4           HG1      PRO   5 -13.266   5.928  -1.541
   39    HD2  PRO   4           HD2      PRO   5 -10.911   6.024   0.294
   40    HD3  PRO   4           HD1      PRO   5 -11.217   6.945  -1.193
   41    HA   PRO   5           HA       PRO   6 -12.906   7.088   5.386
   42    HB2  PRO   5           HB2      PRO   6 -15.635   6.566   6.207
   43    HB3  PRO   5           HB1      PRO   6 -14.648   7.997   6.498
   44    HG2  PRO   5           HG2      PRO   6 -16.826   7.985   4.861
   45    HG3  PRO   5           HG1      PRO   6 -15.453   9.086   4.654
   46    HD2  PRO   5           HD2      PRO   6 -16.089   6.550   3.191
   47    HD3  PRO   5           HD1      PRO   6 -15.452   8.088   2.568
   48    H    TYR   6           HN       TYR   7 -13.811   4.701   3.417
   49    HA   TYR   6           HA       TYR   7 -14.094   2.648   5.488
   50    HB2  TYR   6           HB2      TYR   7 -14.492   2.471   2.504
   51    HB3  TYR   6           HB1      TYR   7 -14.739   1.149   3.635
   52    HD1  TYR   6           HD1      TYR   7 -16.607   1.245   5.252
   53    HD2  TYR   6           HD2      TYR   7 -16.137   4.182   2.213
   54    HE1  TYR   6           HE1      TYR   7 -18.933   1.959   5.592
   55    HE2  TYR   6           HE2      TYR   7 -18.464   4.906   2.544
   56    HH   TYR   6           HH       TYR   7 -20.575   3.996   3.433
   57    H    VAL   7           HN       VAL   8 -11.670   4.174   4.055
   58    HA   VAL   7           HA       VAL   8 -10.041   2.055   3.088
   59    HB   VAL   7           HB       VAL   8  -8.204   3.716   3.219
   60   HG11  VAL   7          HG11      VAL   8  -9.439   3.641   1.197
   61   HG12  VAL   7          HG12      VAL   8  -9.208   5.340   1.598
   62   HG13  VAL   7          HG13      VAL   8 -10.764   4.566   1.898
   63   HG21  VAL   7          HG21      VAL   8  -8.861   4.953   5.178
   64   HG22  VAL   7          HG22      VAL   8 -10.335   5.496   4.380
   65   HG23  VAL   7          HG23      VAL   8  -8.767   6.051   3.802
   66    H    SER   8           HN       SER   9  -8.518   0.854   4.109
   67    HA   SER   8           HA       SER   9  -7.862   1.585   6.892
   68    HB2  SER   8           HB2      SER   9  -7.494  -1.137   5.592
   69    HB3  SER   8           HB1      SER   9  -7.182  -0.723   7.273
   70    HG   SER   8           HG       SER   9  -9.653  -0.970   5.934
   71    H    SER   9           HN       SER  10  -5.909   2.462   7.148
   72    HA   SER   9           HA       SER  10  -4.100   2.495   4.874
   73    HB2  SER   9           HB2      SER  10  -3.841   3.923   7.530
   74    HB3  SER   9           HB1      SER  10  -2.952   4.275   6.047
   75    HG   SER   9           HG       SER  10  -5.777   4.396   6.206
   76    H    LEU  10           HN       LEU  11  -2.727   0.871   4.683
   77    HA   LEU  10           HA       LEU  11  -1.821  -0.580   7.045
   78    HB2  LEU  10           HB2      LEU  11  -1.024  -1.168   4.213
   79    HB3  LEU  10           HB1      LEU  11  -1.090  -2.269   5.570
   80    HG   LEU  10           HG       LEU  11  -3.363  -1.198   3.918
   81   HD11  LEU  10          HD11      LEU  11  -2.418  -3.974   4.599
   82   HD12  LEU  10          HD12      LEU  11  -2.215  -3.143   3.058
   83   HD13  LEU  10          HD13      LEU  11  -3.828  -3.586   3.615
   84   HD21  LEU  10          HD21      LEU  11  -3.593  -2.699   6.526
   85   HD22  LEU  10          HD22      LEU  11  -4.916  -2.324   5.429
   86   HD23  LEU  10          HD23      LEU  11  -4.058  -1.024   6.252
   87    H    ARG  11           HN       ARG  12   0.144  -0.308   7.927
   88    HA   ARG  11           HA       ARG  12   2.045   1.458   6.613
   89    HB2  ARG  11           HB2      ARG  12   1.523   1.644   9.074
   90    HB3  ARG  11           HB1      ARG  12   2.328   0.095   9.296
   91    HG2  ARG  11           HG2      ARG  12   4.361   1.152   8.217
   92    HG3  ARG  11           HG1      ARG  12   3.527   2.696   8.395
   93    HD2  ARG  11           HD2      ARG  12   4.976   2.437  10.267
   94    HD3  ARG  11           HD1      ARG  12   3.324   2.208  10.839
   95    HE   ARG  11           HE       ARG  12   3.898  -0.283  10.540
   96   HH11  ARG  11          HH11      ARG  12   6.130   2.199  11.607
   97   HH12  ARG  11          HH12      ARG  12   7.171   1.084  12.435
   98   HH21  ARG  11          HH21      ARG  12   5.236  -1.743  11.659
   99   HH22  ARG  11          HH22      ARG  12   6.659  -1.162  12.467
  100    H    ILE  12           HN       ILE  13   3.133   0.449   5.042
  101    HA   ILE  12           HA       ILE  13   4.016  -2.309   5.396
  102    HB   ILE  12           HB       ILE  13   4.853  -0.781   2.999
  103   HG12  ILE  12          HG12      ILE  13   2.543   0.022   3.300
  104   HG13  ILE  12          HG11      ILE  13   2.696  -1.010   1.887
  105   HG21  ILE  12          HG21      ILE  13   3.692  -3.524   3.434
  106   HG22  ILE  12          HG22      ILE  13   5.404  -3.125   3.280
  107   HG23  ILE  12          HG23      ILE  13   4.320  -2.905   1.905
  108   HD11  ILE  12          HD11      ILE  13   1.747  -2.884   3.203
  109   HD12  ILE  12          HD12      ILE  13   0.649  -1.516   3.044
  110   HD13  ILE  12          HD13      ILE  13   1.521  -1.774   4.554
  111    H    GLU  13           HN       GLU  14   6.033  -2.819   5.999
  112    HA   GLU  13           HA       GLU  14   7.983  -0.728   6.385
  113    HB2  GLU  13           HB2      GLU  14   8.163  -3.722   6.772
  114    HB3  GLU  13           HB1      GLU  14   9.438  -2.584   7.190
  115    HG2  GLU  13           HG2      GLU  14   7.992  -1.509   8.804
  116    HG3  GLU  13           HG1      GLU  14   6.664  -2.574   8.354
  117    H    ILE  14           HN       ILE  15   9.132   0.024   4.768
  118    HA   ILE  14           HA       ILE  15   9.287  -1.334   2.259
  119    HB   ILE  14           HB       ILE  15  10.673   1.175   3.210
  120   HG12  ILE  14          HG12      ILE  15   8.229   0.844   1.467
  121   HG13  ILE  14          HG11      ILE  15   8.189   1.269   3.175
  122   HG21  ILE  14          HG21      ILE  15  11.619  -0.171   1.192
  123   HG22  ILE  14          HG22      ILE  15  11.413   1.579   1.063
  124   HG23  ILE  14          HG23      ILE  15  10.223   0.495   0.340
  125   HD11  ILE  14          HD11      ILE  15   7.988   3.156   1.514
  126   HD12  ILE  14          HD12      ILE  15   9.689   2.898   1.165
  127   HD13  ILE  14          HD13      ILE  15   9.178   3.352   2.791
  128    HA   PRO  15           HA       PRO  16  13.067  -3.627   2.886
  129    HB2  PRO  15           HB2      PRO  16  13.530  -3.255   0.025
  130    HB3  PRO  15           HB1      PRO  16  13.253  -4.746   0.920
  131    HG2  PRO  15           HG2      PRO  16  11.448  -3.615  -0.799
  132    HG3  PRO  15           HG1      PRO  16  11.017  -4.704   0.520
  133    HD2  PRO  15           HD2      PRO  16  10.671  -1.783   0.297
  134    HD3  PRO  15           HD1      PRO  16   9.782  -2.954   1.280
  135    H    ALA  16           HN       ALA  17  15.125  -2.996   3.274
  136    HA   ALA  16           HA       ALA  17  15.745  -0.265   3.291
  137    HB1  ALA  16           HB1      ALA  17  17.620  -2.603   3.588
  138    HB2  ALA  16           HB2      ALA  17  16.673  -1.865   4.879
  139    HB3  ALA  16           HB3      ALA  17  17.944  -0.941   4.078
  140    H    ASP  17           HN       ASP  18  16.428  -2.731   0.902
  141    HA   ASP  17           HA       ASP  18  18.331  -1.119  -0.538
  142    HB2  ASP  17           HB2      ASP  18  18.439  -3.554  -0.707
  143    HB3  ASP  17           HB1      ASP  18  16.810  -3.600  -1.374
  144    H    ILE  18           HN       ILE  19  14.910  -1.579  -0.501
  145    HA   ILE  18           HA       ILE  19  14.440  -0.303  -3.043
  146    HB   ILE  18           HB       ILE  19  12.669  -1.446  -0.904
  147   HG12  ILE  18          HG12      ILE  19  11.844  -2.863  -2.666
  148   HG13  ILE  18          HG11      ILE  19  12.672  -1.919  -3.888
  149   HG21  ILE  18          HG21      ILE  19  11.596   0.648  -1.490
  150   HG22  ILE  18          HG22      ILE  19  10.680  -0.715  -2.132
  151   HG23  ILE  18          HG23      ILE  19  11.700   0.244  -3.204
  152   HD11  ILE  18          HD11      ILE  19  14.074  -3.508  -1.767
  153   HD12  ILE  18          HD12      ILE  19  14.795  -2.730  -3.171
  154   HD13  ILE  18          HD13      ILE  19  13.715  -4.107  -3.382
  155    H    ALA  19           HN       ALA  20  13.725   1.789  -3.363
  156    HA   ALA  19           HA       ALA  20  14.238   3.598  -1.140
  157    HB1  ALA  19           HB1      ALA  20  14.034   5.372  -2.898
  158    HB2  ALA  19           HB2      ALA  20  13.811   4.084  -4.083
  159    HB3  ALA  19           HB3      ALA  20  15.321   4.197  -3.181
  160    H    ALA  20           HN       ALA  21  12.797   5.007  -0.300
  161    HA   ALA  20           HA       ALA  21   9.988   4.402  -0.667
  162    HB1  ALA  20           HB1      ALA  21   9.669   5.907   1.241
  163    HB2  ALA  20           HB2      ALA  21  11.384   6.304   1.213
  164    HB3  ALA  20           HB3      ALA  21  10.865   4.663   1.591
  165    H    ASN  21           HN       ASN  22   9.516   5.220  -2.701
  166    HA   ASN  21           HA       ASN  22   9.402   8.118  -2.902
  167    HB2  ASN  21           HB2      ASN  22  10.416   8.065  -5.187
  168    HB3  ASN  21           HB1      ASN  22  11.543   7.685  -3.896
  169   HD21  ASN  21          HD21      ASN  22  12.910   6.662  -5.362
  170   HD22  ASN  21          HD22      ASN  22  12.559   5.089  -5.990
  171    H    GLU  22           HN       GLU  23   8.544   8.439  -5.464
  172    HA   GLU  22           HA       GLU  23   5.846   7.583  -5.214
  173    HB2  GLU  22           HB2      GLU  23   6.544   9.728  -6.257
  174    HB3  GLU  22           HB1      GLU  23   7.188   8.824  -7.620
  175    HG2  GLU  22           HG2      GLU  23   5.011   8.036  -8.212
  176    HG3  GLU  22           HG1      GLU  23   4.313   8.730  -6.749
  177    H    ALA  23           HN       ALA  24   8.609   6.359  -6.982
  178    HA   ALA  23           HA       ALA  24   7.293   4.654  -8.778
  179    HB1  ALA  23           HB1      ALA  24   9.690   5.090  -8.904
  180    HB2  ALA  23           HB2      ALA  24   9.373   3.358  -8.815
  181    HB3  ALA  23           HB3      ALA  24   9.938   4.224  -7.388
  182    H    LEU  24           HN       LEU  25   8.190   4.244  -5.397
  183    HA   LEU  24           HA       LEU  25   7.301   1.585  -5.080
  184    HB2  LEU  24           HB2      LEU  25   8.721   2.803  -3.447
  185    HB3  LEU  24           HB1      LEU  25   7.364   3.833  -3.057
  186    HG   LEU  24           HG       LEU  25   6.928   0.922  -2.722
  187   HD11  LEU  24          HD11      LEU  25   8.598   2.507  -0.778
  188   HD12  LEU  24          HD12      LEU  25   9.233   1.283  -1.879
  189   HD13  LEU  24          HD13      LEU  25   8.086   0.827  -0.619
  190   HD21  LEU  24          HD21      LEU  25   6.277   3.369  -1.083
  191   HD22  LEU  24          HD22      LEU  25   5.762   1.725  -0.710
  192   HD23  LEU  24          HD23      LEU  25   5.184   2.519  -2.175
  193    H    LYS  25           HN       LYS  26   5.747   4.709  -4.704
  194    HA   LYS  25           HA       LYS  26   3.260   3.880  -3.753
  195    HB2  LYS  25           HB2      LYS  26   3.875   6.190  -3.680
  196    HB3  LYS  25           HB1      LYS  26   4.089   6.253  -5.419
  197    HG2  LYS  25           HG2      LYS  26   1.617   5.728  -5.589
  198    HG3  LYS  25           HG1      LYS  26   1.537   6.072  -3.864
  199    HD2  LYS  25           HD2      LYS  26   2.526   8.303  -4.319
  200    HD3  LYS  25           HD1      LYS  26   2.428   7.946  -6.046
  201    HE2  LYS  25           HE2      LYS  26   0.018   7.703  -5.890
  202    HE3  LYS  25           HE1      LYS  26   0.081   7.977  -4.155
  203    HZ1  LYS  25           HZ1      LYS  26   0.902  10.208  -4.561
  204    HZ2  LYS  25           HZ2      LYS  26  -0.571   9.972  -5.357
  205    HZ3  LYS  25           HZ3      LYS  26   0.876   9.946  -6.232
  206    H    VAL  26           HN       VAL  27   4.276   4.541  -7.111
  207    HA   VAL  26           HA       VAL  27   1.718   4.028  -8.194
  208    HB   VAL  26           HB       VAL  27   2.781   4.048 -10.397
  209   HG11  VAL  26          HG11      VAL  27   3.799   6.173  -8.521
  210   HG12  VAL  26          HG12      VAL  27   2.239   6.161  -9.347
  211   HG13  VAL  26          HG13      VAL  27   3.730   6.316 -10.277
  212   HG21  VAL  26          HG21      VAL  27   4.812   2.848  -9.969
  213   HG22  VAL  26          HG22      VAL  27   5.361   4.089  -8.846
  214   HG23  VAL  26          HG23      VAL  27   5.224   4.458 -10.564
  215    H    ARG  27           HN       ARG  28   4.496   1.929  -7.629
  216    HA   ARG  27           HA       ARG  28   3.467  -0.231  -9.181
  217    HB2  ARG  27           HB2      ARG  28   5.229  -1.541  -8.362
  218    HB3  ARG  27           HB1      ARG  28   5.894   0.086  -8.354
  219    HG2  ARG  27           HG2      ARG  28   5.652   0.266  -6.003
  220    HG3  ARG  27           HG1      ARG  28   4.678  -1.200  -5.925
  221    HD2  ARG  27           HD2      ARG  28   6.773  -1.888  -5.189
  222    HD3  ARG  27           HD1      ARG  28   6.739  -2.385  -6.878
  223    HE   ARG  27           HE       ARG  28   7.881   0.144  -6.814
  224   HH11  ARG  27          HH11      ARG  28   8.582  -3.083  -5.646
  225   HH12  ARG  27          HH12      ARG  28  10.302  -2.834  -5.615
  226   HH21  ARG  27          HH21      ARG  28  10.153   0.476  -6.753
  227   HH22  ARG  27          HH22      ARG  28  11.192  -0.820  -6.249
  228    H    LEU  28           HN       LEU  29   3.161   0.732  -5.800
  229    HA   LEU  28           HA       LEU  29   1.682  -1.610  -5.069
  230    HB2  LEU  28           HB2      LEU  29   1.970   1.018  -3.612
  231    HB3  LEU  28           HB1      LEU  29   1.246  -0.439  -2.966
  232    HG   LEU  28           HG       LEU  29   4.139  -0.129  -3.739
  233   HD11  LEU  28          HD11      LEU  29   3.554   1.075  -1.698
  234   HD12  LEU  28          HD12      LEU  29   4.542  -0.341  -1.337
  235   HD13  LEU  28          HD13      LEU  29   2.803  -0.381  -1.047
  236   HD21  LEU  28          HD21      LEU  29   3.030  -2.390  -4.059
  237   HD22  LEU  28          HD22      LEU  29   2.861  -2.436  -2.310
  238   HD23  LEU  28          HD23      LEU  29   4.464  -2.344  -3.039
  239    H    LEU  29           HN       LEU  30   0.933   1.584  -6.236
  240    HA   LEU  29           HA       LEU  30  -1.829   1.615  -5.771
  241    HB2  LEU  29           HB2      LEU  30  -0.044   2.893  -7.796
  242    HB3  LEU  29           HB1      LEU  30  -1.781   3.040  -7.952
  243    HG   LEU  29           HG       LEU  30  -0.186   3.917  -5.547
  244   HD11  LEU  29          HD11      LEU  30   0.389   5.456  -7.158
  245   HD12  LEU  29          HD12      LEU  30  -1.039   6.193  -6.433
  246   HD13  LEU  29          HD13      LEU  30  -1.169   5.347  -7.974
  247   HD21  LEU  29          HD21      LEU  30  -2.128   3.998  -4.490
  248   HD22  LEU  29          HD22      LEU  30  -2.977   3.429  -5.925
  249   HD23  LEU  29          HD23      LEU  30  -2.708   5.155  -5.684
  250    H    GLU  30           HN       GLU  31  -0.110  -0.598  -7.551
  251    HA   GLU  30           HA       GLU  31  -2.329  -1.138  -9.395
  252    HB2  GLU  30           HB2      GLU  31   0.455  -2.306  -9.326
  253    HB3  GLU  30           HB1      GLU  31  -0.765  -2.625 -10.548
  254    HG2  GLU  30           HG2      GLU  31  -0.717  -0.251 -11.179
  255    HG3  GLU  30           HG1      GLU  31   0.561   0.015  -9.995
  256    H    THR  31           HN       THR  32  -2.021  -1.792  -6.379
  257    HA   THR  31           HA       THR  32  -2.093  -4.708  -6.498
  258    HB   THR  31           HB       THR  32  -2.215  -2.932  -4.056
  259    HG1  THR  31           HG1      THR  32  -0.265  -2.512  -4.989
  260   HG21  THR  31          HG21      THR  32  -2.825  -4.988  -3.262
  261   HG22  THR  31          HG22      THR  32  -1.072  -5.129  -3.159
  262   HG23  THR  31          HG23      THR  32  -1.939  -5.858  -4.512
  263    H    GLU  32           HN       GLU  33  -3.855  -5.916  -5.810
  264    HA   GLU  32           HA       GLU  33  -6.349  -4.976  -6.668
  265    HB2  GLU  32           HB2      GLU  33  -5.636  -7.326  -6.735
  266    HB3  GLU  32           HB1      GLU  33  -5.692  -7.393  -4.981
  267    HG2  GLU  32           HG2      GLU  33  -8.105  -6.980  -5.052
  268    HG3  GLU  32           HG1      GLU  33  -8.036  -6.946  -6.815
  269    H    GLY  33           HN       GLY  34  -7.238  -3.269  -5.598
  270    HA2  GLY  33           HA2      GLY  34  -9.015  -2.871  -3.995
  271    HA3  GLY  33           HA1      GLY  34  -8.111  -3.827  -2.834
  272    H    VAL  34           HN       VAL  35  -6.140  -1.719  -4.640
  273    HA   VAL  34           HA       VAL  35  -5.585  -0.149  -2.287
  274    HB   VAL  34           HB       VAL  35  -3.896   0.974  -3.641
  275   HG11  VAL  34          HG11      VAL  35  -3.232  -1.062  -2.613
  276   HG12  VAL  34          HG12      VAL  35  -2.537  -1.014  -4.227
  277   HG13  VAL  34          HG13      VAL  35  -3.956  -2.012  -3.905
  278   HG21  VAL  34          HG21      VAL  35  -5.045   1.109  -5.760
  279   HG22  VAL  34          HG22      VAL  35  -5.018  -0.646  -5.920
  280   HG23  VAL  34          HG23      VAL  35  -3.510   0.266  -5.976
  281    H    LYS  35           HN       LYS  36  -5.902   2.036  -1.993
  282    HA   LYS  35           HA       LYS  36  -7.603   3.412  -3.971
  283    HB2  LYS  35           HB2      LYS  36  -7.559   3.794  -0.972
  284    HB3  LYS  35           HB1      LYS  36  -8.560   4.697  -2.100
  285    HG2  LYS  35           HG2      LYS  36  -8.716   1.731  -1.607
  286    HG3  LYS  35           HG1      LYS  36  -9.823   2.944  -0.967
  287    HD2  LYS  35           HD2      LYS  36  -9.349   2.506  -3.902
  288    HD3  LYS  35           HD1      LYS  36 -10.637   1.719  -3.001
  289    HE2  LYS  35           HE2      LYS  36 -11.494   3.956  -2.367
  290    HE3  LYS  35           HE1      LYS  36 -10.257   4.683  -3.391
  291    HZ1  LYS  35           HZ1      LYS  36 -12.379   2.832  -4.327
  292    HZ2  LYS  35           HZ2      LYS  36 -11.222   3.588  -5.296
  293    HZ3  LYS  35           HZ3      LYS  36 -12.400   4.510  -4.513
  294    H    GLU  36           HN       GLU  37  -4.924   3.624  -1.728
  295    HA   GLU  36           HA       GLU  37  -3.684   5.756  -3.168
  296    HB2  GLU  36           HB2      GLU  37  -5.228   7.142  -1.946
  297    HB3  GLU  36           HB1      GLU  37  -4.885   6.298  -0.445
  298    HG2  GLU  36           HG2      GLU  37  -3.821   8.434  -0.393
  299    HG3  GLU  36           HG1      GLU  37  -2.587   7.183  -0.513
  300    H    VAL  37           HN       VAL  38  -1.508   5.981  -2.614
  301    HA   VAL  37           HA       VAL  38  -0.512   4.273  -0.428
  302    HB   VAL  37           HB       VAL  38   0.759   4.484  -3.167
  303   HG11  VAL  37          HG11      VAL  38   2.399   4.363  -1.361
  304   HG12  VAL  37          HG12      VAL  38   2.386   2.876  -2.309
  305   HG13  VAL  37          HG13      VAL  38   1.605   2.923  -0.729
  306   HG21  VAL  37          HG21      VAL  38  -0.334   2.014  -1.858
  307   HG22  VAL  37          HG22      VAL  38   0.173   2.227  -3.533
  308   HG23  VAL  37          HG23      VAL  38  -1.293   3.014  -2.947
  309    H    LEU  38           HN       LEU  39   0.592   5.454   0.969
  310    HA   LEU  38           HA       LEU  39   1.778   7.990   0.035
  311    HB2  LEU  38           HB2      LEU  39  -0.188   7.849   1.757
  312    HB3  LEU  38           HB1      LEU  39   1.081   7.430   2.882
  313    HG   LEU  38           HG       LEU  39   1.349   9.909   1.233
  314   HD11  LEU  38          HD11      LEU  39  -0.930   9.791   2.283
  315   HD12  LEU  38          HD12      LEU  39   0.062  11.167   2.766
  316   HD13  LEU  38          HD13      LEU  39  -0.125   9.787   3.852
  317   HD21  LEU  38          HD21      LEU  39   2.242   9.028   3.965
  318   HD22  LEU  38          HD22      LEU  39   2.496  10.648   3.318
  319   HD23  LEU  38          HD23      LEU  39   3.255   9.256   2.541
  320    H    ILE  39           HN       ILE  40   3.938   8.243   0.288
  321    HA   ILE  39           HA       ILE  40   5.419   6.123   1.631
  322    HB   ILE  39           HB       ILE  40   6.177   8.331  -0.241
  323   HG12  ILE  39          HG12      ILE  40   7.354   6.520  -1.406
  324   HG13  ILE  39          HG11      ILE  40   6.923   5.399  -0.122
  325   HG21  ILE  39          HG21      ILE  40   7.974   7.087   1.802
  326   HG22  ILE  39          HG22      ILE  40   7.851   8.774   1.288
  327   HG23  ILE  39          HG23      ILE  40   8.615   7.585   0.232
  328   HD11  ILE  39          HD11      ILE  40   4.694   5.353  -0.766
  329   HD12  ILE  39          HD12      ILE  40   5.579   5.350  -2.288
  330   HD13  ILE  39          HD13      ILE  40   4.832   6.836  -1.705
  331    H    ALA  40           HN       ALA  41   6.067   6.276   3.654
  332    HA   ALA  40           HA       ALA  41   6.446   8.931   4.871
  333    HB1  ALA  40           HB1      ALA  41   6.178   6.241   6.214
  334    HB2  ALA  40           HB2      ALA  41   4.872   7.415   6.030
  335    HB3  ALA  40           HB3      ALA  41   6.277   7.807   7.022
  336    H    GLU  41           HN       GLU  42   8.512   9.364   4.087
  337    HA   GLU  41           HA       GLU  42  10.481   7.362   3.770
  338    HB2  GLU  41           HB2      GLU  42  10.137   9.912   2.850
  339    HB3  GLU  41           HB1      GLU  42  11.474  10.114   3.975
  340    HG2  GLU  41           HG2      GLU  42  11.367   8.199   1.657
  341    HG3  GLU  41           HG1      GLU  42  12.282   9.702   1.729
  342    H    GLU  42           HN       GLU  43   9.928   9.761   6.318
  343    HA   GLU  42           HA       GLU  43  12.312   9.327   7.738
  344    HB2  GLU  42           HB2      GLU  43  11.205  10.374   9.624
  345    HB3  GLU  42           HB1      GLU  43  10.841  11.250   8.144
  346    HG2  GLU  42           HG2      GLU  43   8.672  10.201   8.033
  347    HG3  GLU  42           HG1      GLU  43   9.069   9.232   9.447
  348    H    GLU  43           HN       GLU  44   9.495   7.432   7.434
  349    HA   GLU  43           HA       GLU  44  10.191   5.741   9.730
  350    HB2  GLU  43           HB2      GLU  44   7.858   6.578   9.440
  351    HB3  GLU  43           HB1      GLU  44   7.763   5.642   7.956
  352    HG2  GLU  43           HG2      GLU  44   6.719   4.527   9.830
  353    HG3  GLU  43           HG1      GLU  44   8.057   3.593   9.183
  354    H    HIS  44           HN       HIS  45  10.734   6.044   6.483
  355    HA   HIS  44           HA       HIS  45  11.085   4.725   4.671
  356    HB2  HIS  44           HB2      HIS  45  13.023   4.151   6.295
  357    HB3  HIS  44           HB1      HIS  45  12.167   2.632   6.548
  358    HD1  HIS  44           HD1      HIS  45  12.847   0.808   4.991
  359    HD2  HIS  44           HD2      HIS  45  13.522   4.575   3.375
  360    HE1  HIS  44           HE1      HIS  45  13.938   0.415   2.752
  361    HE2  HIS  44           HE2      HIS  45  14.223   2.696   1.753
  362    H    SER  45           HN       SER  46   8.537   4.605   5.597
  363    HA   SER  45           HA       SER  46   7.762   1.843   5.010
  364    HB2  SER  45           HB2      SER  46   6.631   3.522   7.264
  365    HB3  SER  45           HB1      SER  46   6.063   1.919   6.791
  366    HG   SER  45           HG       SER  46   8.762   2.390   7.512
  367    H    ALA  46           HN       ALA  47   5.413   1.718   4.430
  368    HA   ALA  46           HA       ALA  47   4.568   4.187   3.043
  369    HB1  ALA  46           HB1      ALA  47   5.301   2.356   1.535
  370    HB2  ALA  46           HB2      ALA  47   3.622   2.828   1.301
  371    HB3  ALA  46           HB3      ALA  47   4.011   1.352   2.183
  372    H    TYR  47           HN       TYR  48   2.353   4.648   3.008
  373    HA   TYR  47           HA       TYR  48   0.671   2.993   4.757
  374    HB2  TYR  47           HB2      TYR  48   0.592   5.969   4.215
  375    HB3  TYR  47           HB1      TYR  48  -0.779   5.104   4.903
  376    HD1  TYR  47           HD2      TYR  48   2.655   6.267   5.518
  377    HD2  TYR  47           HD1      TYR  48  -0.734   4.289   7.164
  378    HE1  TYR  47           HE2      TYR  48   3.613   6.508   7.773
  379    HE2  TYR  47           HE1      TYR  48   0.212   4.528   9.418
  380    HH   TYR  47           HH       TYR  48   2.833   6.567  10.108
  381    H    VAL  48           HN       VAL  49  -0.359   1.661   3.480
  382    HA   VAL  48           HA       VAL  49  -1.374   2.636   0.905
  383    HB   VAL  48           HB       VAL  49  -1.167  -0.200   1.912
  384   HG11  VAL  48          HG11      VAL  49  -1.920   0.935  -0.750
  385   HG12  VAL  48          HG12      VAL  49  -2.888  -0.095   0.296
  386   HG13  VAL  48          HG13      VAL  49  -1.462  -0.746  -0.512
  387   HG21  VAL  48          HG21      VAL  49   1.017   0.921   1.616
  388   HG22  VAL  48          HG22      VAL  49   0.589   1.227  -0.072
  389   HG23  VAL  48          HG23      VAL  49   0.769  -0.431   0.504
  390    H    LYS  49           HN       LYS  50  -3.377   3.345   0.935
  391    HA   LYS  49           HA       LYS  50  -5.237   2.434   2.957
  392    HB2  LYS  49           HB2      LYS  50  -5.528   4.428   0.704
  393    HB3  LYS  49           HB1      LYS  50  -6.794   4.064   1.868
  394    HG2  LYS  49           HG2      LYS  50  -5.144   4.754   3.663
  395    HG3  LYS  49           HG1      LYS  50  -4.147   5.391   2.352
  396    HD2  LYS  49           HD2      LYS  50  -6.086   6.768   1.629
  397    HD3  LYS  49           HD1      LYS  50  -6.964   6.198   3.046
  398    HE2  LYS  49           HE2      LYS  50  -5.218   7.141   4.494
  399    HE3  LYS  49           HE1      LYS  50  -4.385   7.759   3.069
  400    HZ1  LYS  49           HZ1      LYS  50  -6.421   9.056   2.568
  401    HZ2  LYS  49           HZ2      LYS  50  -5.679   9.504   4.025
  402    HZ3  LYS  49           HZ3      LYS  50  -7.073   8.550   4.047
  403    H    ILE  50           HN       ILE  51  -6.546   0.804   2.715
  404    HA   ILE  50           HA       ILE  51  -6.870  -0.345   0.028
  405    HB   ILE  50           HB       ILE  51  -7.185  -2.450   1.015
  406   HG12  ILE  50          HG12      ILE  51  -7.493  -1.145   3.721
  407   HG13  ILE  50          HG11      ILE  51  -8.850  -1.615   2.708
  408   HG21  ILE  50          HG21      ILE  51  -4.951  -2.278   1.309
  409   HG22  ILE  50          HG22      ILE  51  -5.396  -2.374   3.006
  410   HG23  ILE  50          HG23      ILE  51  -5.073  -0.807   2.264
  411   HD11  ILE  50          HD11      ILE  51  -8.158  -3.934   2.831
  412   HD12  ILE  50          HD12      ILE  51  -8.401  -3.260   4.445
  413   HD13  ILE  50          HD13      ILE  51  -6.768  -3.479   3.816
  414    H    ASP  51           HN       ASP  52  -8.889  -0.969  -0.708
  415    HA   ASP  51           HA       ASP  52 -11.215   0.197   0.565
  416    HB2  ASP  51           HB2      ASP  52 -11.074   0.102  -1.901
  417    HB3  ASP  51           HB1      ASP  52 -11.002  -1.651  -1.827
  418    H    SER  52           HN       SER  53 -11.768  -0.773   2.413
  419    HA   SER  52           HA       SER  53 -11.068  -3.414   3.085
  420    HB2  SER  52           HB2      SER  53 -13.155  -1.673   4.411
  421    HB3  SER  52           HB1      SER  53 -12.280  -3.019   5.140
  422    HG   SER  52           HG       SER  53 -11.494  -0.411   4.721
  423    H    LYS  53           HN       LYS  54 -13.491  -2.387   1.054
  424    HA   LYS  53           HA       LYS  54 -15.432  -4.410   1.789
  425    HB2  LYS  53           HB2      LYS  54 -15.382  -2.491  -0.547
  426    HB3  LYS  53           HB1      LYS  54 -16.726  -3.536  -0.115
  427    HG2  LYS  53           HG2      LYS  54 -15.614  -1.357   1.642
  428    HG3  LYS  53           HG1      LYS  54 -17.028  -1.192   0.602
  429    HD2  LYS  53           HD2      LYS  54 -16.757  -3.197   2.842
  430    HD3  LYS  53           HD1      LYS  54 -17.599  -1.655   2.968
  431    HE2  LYS  53           HE2      LYS  54 -18.303  -3.927   1.112
  432    HE3  LYS  53           HE1      LYS  54 -19.171  -3.472   2.575
  433    HZ1  LYS  53           HZ1      LYS  54 -18.920  -1.887   0.079
  434    HZ2  LYS  53           HZ2      LYS  54 -19.584  -1.281   1.509
  435    HZ3  LYS  53           HZ3      LYS  54 -20.324  -2.576   0.717
  436    H    VAL  54           HN       VAL  55 -13.217  -3.709  -0.908
  437    HA   VAL  54           HA       VAL  55 -13.918  -6.195  -2.215
  438    HB   VAL  54           HB       VAL  55 -13.352  -4.068  -3.462
  439   HG11  VAL  54          HG11      VAL  55 -11.380  -3.486  -2.089
  440   HG12  VAL  54          HG12      VAL  55 -11.073  -3.462  -3.824
  441   HG13  VAL  54          HG13      VAL  55 -10.508  -4.816  -2.846
  442   HG21  VAL  54          HG21      VAL  55 -13.465  -6.213  -4.593
  443   HG22  VAL  54          HG22      VAL  55 -11.789  -6.548  -4.162
  444   HG23  VAL  54          HG23      VAL  55 -12.168  -5.228  -5.269
  445    H    THR  55           HN       THR  56 -11.396  -5.057  -0.077
  446    HA   THR  55           HA       THR  56 -10.168  -7.712  -0.190
  447    HB   THR  55           HB       THR  56  -8.929  -6.105  -1.729
  448    HG1  THR  55           HG1      THR  56  -7.543  -7.641  -1.281
  449   HG21  THR  55          HG21      THR  56  -9.115  -4.136  -0.185
  450   HG22  THR  55          HG22      THR  56  -7.481  -4.453  -0.764
  451   HG23  THR  55          HG23      THR  56  -7.944  -4.926   0.869
  452    H    ASN  56           HN       ASN  57  -8.364  -7.800   1.546
  453    HA   ASN  56           HA       ASN  57  -9.189  -6.308   3.944
  454    HB2  ASN  56           HB2      ASN  57  -8.496  -9.241   3.739
  455    HB3  ASN  56           HB1      ASN  57  -8.550  -8.369   5.263
  456   HD21  ASN  56          HD21      ASN  57 -10.093 -10.615   4.501
  457   HD22  ASN  56          HD22      ASN  57 -11.757 -10.143   4.527
  458    H    ARG  57           HN       ARG  58  -7.498  -6.016   5.507
  459    HA   ARG  57           HA       ARG  58  -5.251  -4.885   4.521
  460    HB2  ARG  57           HB2      ARG  58  -5.771  -4.358   6.731
  461    HB3  ARG  57           HB1      ARG  58  -5.860  -6.044   7.218
  462    HG2  ARG  57           HG2      ARG  58  -3.471  -6.259   7.125
  463    HG3  ARG  57           HG1      ARG  58  -3.310  -4.643   6.443
  464    HD2  ARG  57           HD2      ARG  58  -2.764  -4.675   8.825
  465    HD3  ARG  57           HD1      ARG  58  -4.173  -3.670   8.496
  466    HE   ARG  57           HE       ARG  58  -5.135  -6.187   9.144
  467   HH11  ARG  57          HH11      ARG  58  -3.239  -3.691  10.707
  468   HH12  ARG  57          HH12      ARG  58  -3.834  -4.061  12.295
  469   HH21  ARG  57          HH21      ARG  58  -5.919  -6.665  11.236
  470   HH22  ARG  57          HH22      ARG  58  -5.349  -5.749  12.597
  471    H    PHE  58           HN       PHE  59  -5.371  -8.244   5.806
  472    HA   PHE  58           HA       PHE  59  -2.530  -8.469   5.598
  473    HB2  PHE  58           HB2      PHE  59  -4.218  -9.771   7.127
  474    HB3  PHE  58           HB1      PHE  59  -4.313 -10.876   5.760
  475    HD1  PHE  58           HD1      PHE  59  -1.947 -11.616   4.809
  476    HD2  PHE  58           HD2      PHE  59  -2.656 -10.184   8.750
  477    HE1  PHE  58           HE1      PHE  59   0.095 -12.751   5.581
  478    HE2  PHE  58           HE2      PHE  59  -0.611 -11.308   9.530
  479    HZ   PHE  58           HZ       PHE  59   0.767 -12.593   7.946
  480    H    GLU  59           HN       GLU  60  -5.227  -9.501   3.583
  481    HA   GLU  59           HA       GLU  60  -3.718 -11.155   1.855
  482    HB2  GLU  59           HB2      GLU  60  -6.329  -9.726   1.339
  483    HB3  GLU  59           HB1      GLU  60  -5.669 -11.032   0.363
  484    HG2  GLU  59           HG2      GLU  60  -5.781 -12.500   2.358
  485    HG3  GLU  59           HG1      GLU  60  -6.584 -11.191   3.221
  486    H    VAL  60           HN       VAL  61  -4.907  -7.824   1.490
  487    HA   VAL  60           HA       VAL  61  -3.662  -7.434  -1.024
  488    HB   VAL  60           HB       VAL  61  -5.594  -6.104  -0.204
  489   HG11  VAL  60          HG11      VAL  61  -4.846  -5.758   2.095
  490   HG12  VAL  60          HG12      VAL  61  -5.262  -4.242   1.298
  491   HG13  VAL  60          HG13      VAL  61  -3.569  -4.688   1.512
  492   HG21  VAL  60          HG21      VAL  61  -3.132  -4.660  -1.116
  493   HG22  VAL  60          HG22      VAL  61  -4.710  -3.884  -1.011
  494   HG23  VAL  60          HG23      VAL  61  -4.474  -5.259  -2.092
  495    H    GLU  61           HN       GLU  62  -2.702  -6.758   2.296
  496    HA   GLU  61           HA       GLU  62  -0.277  -5.437   1.948
  497    HB2  GLU  61           HB2      GLU  62  -1.610  -6.212   4.078
  498    HB3  GLU  61           HB1      GLU  62  -0.599  -7.636   3.963
  499    HG2  GLU  61           HG2      GLU  62   0.399  -4.819   4.257
  500    HG3  GLU  61           HG1      GLU  62   0.230  -5.993   5.556
  501    H    GLN  62           HN       GLN  63  -1.014  -8.901   1.914
  502    HA   GLN  62           HA       GLN  63   1.562  -9.917   1.633
  503    HB2  GLN  62           HB2      GLN  63  -0.662 -11.156   2.001
  504    HB3  GLN  62           HB1      GLN  63  -0.843 -11.080   0.256
  505    HG2  GLN  62           HG2      GLN  63   0.082 -13.171   0.637
  506    HG3  GLN  62           HG1      GLN  63   1.444 -12.165   0.135
  507   HE21  GLN  62          HE21      GLN  63  -0.084 -13.795   2.803
  508   HE22  GLN  62          HE22      GLN  63   1.271 -13.729   3.874
  509    H    ALA  63           HN       ALA  64  -0.798  -8.960  -0.841
  510    HA   ALA  63           HA       ALA  64   0.857  -9.475  -3.071
  511    HB1  ALA  63           HB1      ALA  64  -1.381  -7.458  -2.827
  512    HB2  ALA  63           HB2      ALA  64  -1.580  -9.167  -3.225
  513    HB3  ALA  63           HB3      ALA  64  -0.709  -8.101  -4.327
  514    H    ILE  64           HN       ILE  65   0.356  -6.585  -1.091
  515    HA   ILE  64           HA       ILE  65   1.905  -4.796  -2.570
  516    HB   ILE  64           HB       ILE  65   0.893  -4.880   0.203
  517   HG12  ILE  64          HG12      ILE  65   0.814  -2.294  -0.906
  518   HG13  ILE  64          HG11      ILE  65   0.501  -3.404  -2.233
  519   HG21  ILE  64          HG21      ILE  65   3.175  -4.320   0.709
  520   HG22  ILE  64          HG22      ILE  65   2.170  -2.881   0.881
  521   HG23  ILE  64          HG23      ILE  65   3.190  -3.082  -0.542
  522   HD11  ILE  64          HD11      ILE  65  -1.300  -4.418  -0.967
  523   HD12  ILE  64          HD12      ILE  65  -1.557  -2.687  -1.192
  524   HD13  ILE  64          HD13      ILE  65  -0.998  -3.302   0.366
  525    H    ARG  65           HN       ARG  66   2.912  -6.890   0.173
  526    HA   ARG  65           HA       ARG  66   5.558  -5.973   0.192
  527    HB2  ARG  65           HB2      ARG  66   6.150  -8.055   1.356
  528    HB3  ARG  65           HB1      ARG  66   4.797  -7.217   2.089
  529    HG2  ARG  65           HG2      ARG  66   4.016  -9.332   2.193
  530    HG3  ARG  65           HG1      ARG  66   3.474  -8.953   0.557
  531    HD2  ARG  65           HD2      ARG  66   5.330 -10.068  -0.408
  532    HD3  ARG  65           HD1      ARG  66   6.144 -10.220   1.146
  533    HE   ARG  65           HE       ARG  66   3.680 -11.557   1.267
  534   HH11  ARG  65          HH11      ARG  66   6.841 -11.845  -0.221
  535   HH12  ARG  65          HH12      ARG  66   6.733 -13.565  -0.414
  536   HH21  ARG  65          HH21      ARG  66   3.542 -13.823   1.013
  537   HH22  ARG  65          HH22      ARG  66   4.862 -14.687   0.290
  538    H    GLN  66           HN       GLN  67   4.065  -8.572  -1.605
  539    HA   GLN  66           HA       GLN  67   6.390  -9.593  -2.813
  540    HB2  GLN  66           HB2      GLN  67   3.549  -9.542  -3.808
  541    HB3  GLN  66           HB1      GLN  67   4.836 -10.527  -4.502
  542    HG2  GLN  66           HG2      GLN  67   5.111 -11.696  -2.400
  543    HG3  GLN  66           HG1      GLN  67   3.894 -10.680  -1.657
  544   HE21  GLN  66          HE21      GLN  67   2.202 -10.730  -4.062
  545   HE22  GLN  66          HE22      GLN  67   1.460 -12.290  -4.073
  546    H    ALA  67           HN       ALA  68   4.415  -6.820  -3.607
  547    HA   ALA  67           HA       ALA  68   5.591  -6.342  -6.164
  548    HB1  ALA  67           HB1      ALA  68   4.063  -4.593  -4.259
  549    HB2  ALA  67           HB2      ALA  68   3.475  -5.361  -5.732
  550    HB3  ALA  67           HB3      ALA  68   4.633  -4.034  -5.831
  551    H    LEU  68           HN       LEU  69   6.533  -5.747  -2.897
  552    HA   LEU  68           HA       LEU  69   8.681  -3.935  -3.656
  553    HB2  LEU  68           HB2      LEU  69   7.930  -5.132  -0.994
  554    HB3  LEU  68           HB1      LEU  69   9.175  -3.922  -1.247
  555    HG   LEU  68           HG       LEU  69   6.269  -3.490  -1.885
  556   HD11  LEU  68          HD11      LEU  69   6.602  -3.850   0.501
  557   HD12  LEU  68          HD12      LEU  69   6.150  -2.182   0.144
  558   HD13  LEU  68          HD13      LEU  69   7.827  -2.583   0.518
  559   HD21  LEU  68          HD21      LEU  69   8.680  -1.765  -1.902
  560   HD22  LEU  68          HD22      LEU  69   7.068  -1.082  -1.764
  561   HD23  LEU  68          HD23      LEU  69   7.513  -2.025  -3.189
  562    H    GLU  69           HN       GLU  70   8.128  -7.241  -2.729
  563    HA   GLU  69           HA       GLU  70  10.923  -7.916  -2.509
  564    HB2  GLU  69           HB2      GLU  70   8.389  -9.576  -2.427
  565    HB3  GLU  69           HB1      GLU  70  10.007 -10.245  -2.215
  566    HG2  GLU  69           HG2      GLU  70   8.899  -8.063  -0.483
  567    HG3  GLU  69           HG1      GLU  70   8.679  -9.771  -0.124
  Start of MODEL    6
    1    H1   MET   0           HT1      MET   1  -5.287  12.626   3.784
    2    H2   MET   0           HT2      MET   1  -6.580  11.588   3.425
    3    H3   MET   0           HT3      MET   1  -5.880  11.575   4.966
    4    HA   MET   0           HA       MET   1  -8.023  12.728   4.889
    5    HB2  MET   0           HB2      MET   1  -5.641  14.487   5.522
    6    HB3  MET   0           HB1      MET   1  -7.278  14.728   6.113
    7    HG2  MET   0           HG2      MET   1  -5.461  12.415   6.743
    8    HG3  MET   0           HG1      MET   1  -5.920  13.726   7.828
    9    HE1  MET   0           HE1      MET   1  -6.157  10.622   8.541
   10    HE2  MET   0           HE2      MET   1  -7.732  10.581   9.334
   11    HE3  MET   0           HE3      MET   1  -6.617  11.906   9.659
   12    H    GLY   1           HN       GLY   2  -8.626  12.829   2.628
   13    HA2  GLY   1           HA2      GLY   2  -8.457  15.585   1.652
   14    HA3  GLY   1           HA1      GLY   2  -7.891  14.313   0.577
   15    H    LYS   2           HN       LYS   3  -9.387  12.736  -0.162
   16    HA   LYS   2           HA       LYS   3 -12.220  13.310   0.283
   17    HB2  LYS   2           HB2      LYS   3 -10.884  13.231  -2.427
   18    HB3  LYS   2           HB1      LYS   3 -12.621  13.100  -2.200
   19    HG2  LYS   2           HG2      LYS   3 -10.950  15.449  -1.334
   20    HG3  LYS   2           HG1      LYS   3 -11.877  15.361  -2.831
   21    HD2  LYS   2           HD2      LYS   3 -13.940  15.113  -1.559
   22    HD3  LYS   2           HD1      LYS   3 -13.027  15.142  -0.050
   23    HE2  LYS   2           HE2      LYS   3 -14.014  17.315  -0.471
   24    HE3  LYS   2           HE1      LYS   3 -12.259  17.413  -0.572
   25    HZ1  LYS   2           HZ1      LYS   3 -13.315  18.634  -2.361
   26    HZ2  LYS   2           HZ2      LYS   3 -14.116  17.243  -2.881
   27    HZ3  LYS   2           HZ3      LYS   3 -12.430  17.334  -2.982
   28    H    GLU   3           HN       GLU   4 -10.365  11.168   1.071
   29    HA   GLU   3           HA       GLU   4 -11.023   8.925  -0.621
   30    HB2  GLU   3           HB2      GLU   4  -9.735   7.575   0.953
   31    HB3  GLU   3           HB1      GLU   4  -8.833   9.001   0.475
   32    HG2  GLU   3           HG2      GLU   4 -10.425   8.992   3.002
   33    HG3  GLU   3           HG1      GLU   4  -8.828   8.251   2.942
   34    HA   PRO   4           HA       PRO   5 -14.779   7.743   1.357
   35    HB2  PRO   4           HB2      PRO   5 -14.097   4.935   0.862
   36    HB3  PRO   4           HB1      PRO   5 -15.392   5.906   0.167
   37    HG2  PRO   4           HG2      PRO   5 -13.256   5.113  -1.273
   38    HG3  PRO   4           HG1      PRO   5 -14.084   6.655  -1.569
   39    HD2  PRO   4           HD2      PRO   5 -11.536   6.112  -0.106
   40    HD3  PRO   4           HD1      PRO   5 -11.932   7.430  -1.226
   41    HA   PRO   5           HA       PRO   6 -13.729   6.491   5.474
   42    HB2  PRO   5           HB2      PRO   6 -16.436   5.507   5.897
   43    HB3  PRO   5           HB1      PRO   6 -15.658   6.940   6.568
   44    HG2  PRO   5           HG2      PRO   6 -17.658   7.066   4.740
   45    HG3  PRO   5           HG1      PRO   6 -16.383   8.291   4.864
   46    HD2  PRO   5           HD2      PRO   6 -16.660   6.027   2.925
   47    HD3  PRO   5           HD1      PRO   6 -16.124   7.696   2.645
   48    H    TYR   6           HN       TYR   7 -14.019   4.375   3.119
   49    HA   TYR   6           HA       TYR   7 -14.186   2.007   4.842
   50    HB2  TYR   6           HB2      TYR   7 -14.389   2.220   1.840
   51    HB3  TYR   6           HB1      TYR   7 -14.525   0.729   2.763
   52    HD1  TYR   6           HD1      TYR   7 -16.438   0.496   4.394
   53    HD2  TYR   6           HD2      TYR   7 -16.262   3.626   1.520
   54    HE1  TYR   6           HE1      TYR   7 -18.847   0.888   4.681
   55    HE2  TYR   6           HE2      TYR   7 -18.672   4.025   1.800
   56    HH   TYR   6           HH       TYR   7 -20.684   2.698   2.559
   57    H    VAL   7           HN       VAL   8 -11.955   4.067   3.820
   58    HA   VAL   7           HA       VAL   8  -9.941   2.264   2.884
   59    HB   VAL   7           HB       VAL   8  -8.408   4.169   3.138
   60   HG11  VAL   7          HG11      VAL   8  -9.571   3.984   1.061
   61   HG12  VAL   7          HG12      VAL   8  -9.511   5.685   1.510
   62   HG13  VAL   7          HG13      VAL   8 -10.998   4.766   1.735
   63   HG21  VAL   7          HG21      VAL   8  -9.245   6.363   3.813
   64   HG22  VAL   7          HG22      VAL   8  -9.373   5.192   5.124
   65   HG23  VAL   7          HG23      VAL   8 -10.807   5.644   4.203
   66    H    SER   8           HN       SER   9  -8.270   1.395   3.988
   67    HA   SER   8           HA       SER   9  -7.845   2.229   6.771
   68    HB2  SER   8           HB2      SER   9  -8.999  -0.065   6.567
   69    HB3  SER   8           HB1      SER   9  -7.483  -0.638   5.875
   70    HG   SER   8           HG       SER   9  -7.836   0.526   8.444
   71    H    SER   9           HN       SER  10  -5.837   3.022   6.953
   72    HA   SER   9           HA       SER  10  -4.026   2.699   4.723
   73    HB2  SER   9           HB2      SER  10  -2.632   4.368   6.019
   74    HB3  SER   9           HB1      SER  10  -4.240   4.921   5.560
   75    HG   SER   9           HG       SER  10  -4.133   3.665   8.006
   76    H    LEU  10           HN       LEU  11  -2.780   0.985   4.619
   77    HA   LEU  10           HA       LEU  11  -1.898  -0.415   7.002
   78    HB2  LEU  10           HB2      LEU  11  -0.963  -0.998   4.215
   79    HB3  LEU  10           HB1      LEU  11  -1.130  -2.106   5.556
   80    HG   LEU  10           HG       LEU  11  -3.275  -0.992   3.776
   81   HD11  LEU  10          HD11      LEU  11  -2.268  -3.755   4.413
   82   HD12  LEU  10          HD12      LEU  11  -2.194  -2.895   2.875
   83   HD13  LEU  10          HD13      LEU  11  -3.747  -3.434   3.508
   84   HD21  LEU  10          HD21      LEU  11  -3.655  -2.474   6.373
   85   HD22  LEU  10          HD22      LEU  11  -4.914  -2.202   5.173
   86   HD23  LEU  10          HD23      LEU  11  -4.176  -0.833   6.004
   87    H    ARG  11           HN       ARG  12   0.077  -0.167   7.931
   88    HA   ARG  11           HA       ARG  12   1.976   1.612   6.627
   89    HB2  ARG  11           HB2      ARG  12   1.501   1.812   9.083
   90    HB3  ARG  11           HB1      ARG  12   2.260   0.237   9.305
   91    HG2  ARG  11           HG2      ARG  12   4.345   1.134   8.355
   92    HG3  ARG  11           HG1      ARG  12   3.581   2.718   8.222
   93    HD2  ARG  11           HD2      ARG  12   4.914   2.679  10.206
   94    HD3  ARG  11           HD1      ARG  12   3.215   2.681  10.676
   95    HE   ARG  11           HE       ARG  12   3.798   0.059  10.674
   96   HH11  ARG  11          HH11      ARG  12   5.381   2.818  12.114
   97   HH12  ARG  11          HH12      ARG  12   6.104   1.903  13.396
   98   HH21  ARG  11          HH21      ARG  12   4.742  -1.160  12.363
   99   HH22  ARG  11          HH22      ARG  12   5.750  -0.368  13.531
  100    H    ILE  12           HN       ILE  13   3.095   0.662   5.068
  101    HA   ILE  12           HA       ILE  13   3.868  -2.133   5.288
  102    HB   ILE  12           HB       ILE  13   4.717  -0.403   3.007
  103   HG12  ILE  12          HG12      ILE  13   2.379   0.215   3.265
  104   HG13  ILE  12          HG11      ILE  13   2.573  -0.817   1.855
  105   HG21  ILE  12          HG21      ILE  13   3.795  -3.251   3.252
  106   HG22  ILE  12          HG22      ILE  13   5.464  -2.696   3.106
  107   HG23  ILE  12          HG23      ILE  13   4.342  -2.486   1.760
  108   HD11  ILE  12          HD11      ILE  13   1.778  -2.737   3.238
  109   HD12  ILE  12          HD12      ILE  13   0.585  -1.465   3.001
  110   HD13  ILE  12          HD13      ILE  13   1.444  -1.593   4.535
  111    H    GLU  13           HN       GLU  14   5.773  -2.684   6.119
  112    HA   GLU  13           HA       GLU  14   7.798  -0.698   6.585
  113    HB2  GLU  13           HB2      GLU  14   7.737  -3.677   7.071
  114    HB3  GLU  13           HB1      GLU  14   9.089  -2.641   7.513
  115    HG2  GLU  13           HG2      GLU  14   7.603  -1.333   8.957
  116    HG3  GLU  13           HG1      GLU  14   6.268  -2.395   8.531
  117    H    ILE  14           HN       ILE  15   9.051  -0.009   5.038
  118    HA   ILE  14           HA       ILE  15   9.147  -1.313   2.503
  119    HB   ILE  14           HB       ILE  15  10.588   1.133   3.536
  120   HG12  ILE  14          HG12      ILE  15   8.167   0.958   1.742
  121   HG13  ILE  14          HG11      ILE  15   8.053   1.121   3.486
  122   HG21  ILE  14          HG21      ILE  15  11.507  -0.129   1.453
  123   HG22  ILE  14          HG22      ILE  15  11.307   1.625   1.397
  124   HG23  ILE  14          HG23      ILE  15  10.106   0.577   0.641
  125   HD11  ILE  14          HD11      ILE  15   9.426   3.081   1.674
  126   HD12  ILE  14          HD12      ILE  15   9.155   3.256   3.402
  127   HD13  ILE  14          HD13      ILE  15   7.787   3.250   2.289
  128    HA   PRO  15           HA       PRO  16  12.877  -3.746   2.903
  129    HB2  PRO  15           HB2      PRO  16  13.302  -3.083   0.066
  130    HB3  PRO  15           HB1      PRO  16  13.117  -4.658   0.833
  131    HG2  PRO  15           HG2      PRO  16  11.198  -3.532  -0.710
  132    HG3  PRO  15           HG1      PRO  16  10.840  -4.639   0.619
  133    HD2  PRO  15           HD2      PRO  16  10.520  -1.703   0.462
  134    HD3  PRO  15           HD1      PRO  16   9.610  -2.884   1.409
  135    H    ALA  16           HN       ALA  17  15.146  -3.465   2.782
  136    HA   ALA  16           HA       ALA  17  15.972  -0.796   3.342
  137    HB1  ALA  16           HB1      ALA  17  17.641  -3.283   3.008
  138    HB2  ALA  16           HB2      ALA  17  16.905  -2.732   4.511
  139    HB3  ALA  16           HB3      ALA  17  18.164  -1.768   3.742
  140    H    ASP  17           HN       ASP  18  16.177  -2.881   0.555
  141    HA   ASP  17           HA       ASP  18  18.034  -1.140  -0.819
  142    HB2  ASP  17           HB2      ASP  18  18.146  -3.545  -1.226
  143    HB3  ASP  17           HB1      ASP  18  16.479  -3.543  -1.791
  144    H    ILE  18           HN       ILE  19  14.605  -1.864  -0.850
  145    HA   ILE  18           HA       ILE  19  13.976  -0.406  -3.197
  146    HB   ILE  18           HB       ILE  19  12.335  -1.539  -0.955
  147   HG12  ILE  18          HG12      ILE  19  11.361  -2.906  -2.705
  148   HG13  ILE  18          HG11      ILE  19  12.191  -1.981  -3.943
  149   HG21  ILE  18          HG21      ILE  19  11.286   0.598  -1.472
  150   HG22  ILE  18          HG22      ILE  19  10.286  -0.749  -2.015
  151   HG23  ILE  18          HG23      ILE  19  11.239   0.169  -3.182
  152   HD11  ILE  18          HD11      ILE  19  13.625  -3.598  -1.866
  153   HD12  ILE  18          HD12      ILE  19  14.287  -2.895  -3.338
  154   HD13  ILE  18          HD13      ILE  19  13.146  -4.234  -3.437
  155    H    ALA  19           HN       ALA  20  13.373   1.689  -3.483
  156    HA   ALA  19           HA       ALA  20  14.103   3.526  -1.372
  157    HB1  ALA  19           HB1      ALA  20  13.741   5.261  -3.125
  158    HB2  ALA  19           HB2      ALA  20  13.255   3.974  -4.230
  159    HB3  ALA  19           HB3      ALA  20  14.897   4.008  -3.588
  160    H    ALA  20           HN       ALA  21  12.762   4.617  -0.101
  161    HA   ALA  20           HA       ALA  21   9.919   4.380  -0.235
  162    HB1  ALA  20           HB1      ALA  21  10.059   6.271   1.507
  163    HB2  ALA  20           HB2      ALA  21  11.810   6.095   1.369
  164    HB3  ALA  20           HB3      ALA  21  10.830   4.737   1.920
  165    H    ASN  21           HN       ASN  22   9.393   5.069  -2.355
  166    HA   ASN  21           HA       ASN  22   9.681   7.931  -2.892
  167    HB2  ASN  21           HB2      ASN  22  11.607   6.321  -3.804
  168    HB3  ASN  21           HB1      ASN  22  10.433   6.061  -5.086
  169   HD21  ASN  21          HD21      ASN  22  12.961   7.207  -5.354
  170   HD22  ASN  21          HD22      ASN  22  12.770   8.840  -5.879
  171    H    GLU  22           HN       GLU  23   8.663   8.341  -5.207
  172    HA   GLU  22           HA       GLU  23   5.961   7.490  -5.130
  173    HB2  GLU  22           HB2      GLU  23   6.689   9.612  -6.153
  174    HB3  GLU  22           HB1      GLU  23   7.506   8.716  -7.424
  175    HG2  GLU  22           HG2      GLU  23   5.390   7.836  -8.205
  176    HG3  GLU  22           HG1      GLU  23   4.547   8.653  -6.890
  177    H    ALA  23           HN       ALA  24   8.821   6.257  -6.733
  178    HA   ALA  23           HA       ALA  24   7.678   4.453  -8.524
  179    HB1  ALA  23           HB1      ALA  24  10.079   4.923  -8.435
  180    HB2  ALA  23           HB2      ALA  24   9.761   3.190  -8.342
  181    HB3  ALA  23           HB3      ALA  24  10.186   4.089  -6.884
  182    H    LEU  24           HN       LEU  25   8.389   4.116  -5.072
  183    HA   LEU  24           HA       LEU  25   7.415   1.490  -4.753
  184    HB2  LEU  24           HB2      LEU  25   8.749   2.696  -3.047
  185    HB3  LEU  24           HB1      LEU  25   7.399   3.769  -2.767
  186    HG   LEU  24           HG       LEU  25   6.815   0.894  -2.424
  187   HD11  LEU  24          HD11      LEU  25   8.520   2.393  -0.444
  188   HD12  LEU  24          HD12      LEU  25   9.078   1.077  -1.476
  189   HD13  LEU  24          HD13      LEU  25   7.852   0.772  -0.248
  190   HD21  LEU  24          HD21      LEU  25   6.231   3.389  -0.836
  191   HD22  LEU  24          HD22      LEU  25   5.620   1.779  -0.463
  192   HD23  LEU  24          HD23      LEU  25   5.142   2.578  -1.960
  193    H    LYS  25           HN       LYS  26   5.882   4.644  -4.603
  194    HA   LYS  25           HA       LYS  26   3.350   3.863  -3.723
  195    HB2  LYS  25           HB2      LYS  26   4.030   6.183  -3.744
  196    HB3  LYS  25           HB1      LYS  26   4.189   6.162  -5.490
  197    HG2  LYS  25           HG2      LYS  26   1.746   5.689  -5.624
  198    HG3  LYS  25           HG1      LYS  26   1.667   5.955  -3.884
  199    HD2  LYS  25           HD2      LYS  26   2.624   8.216  -4.243
  200    HD3  LYS  25           HD1      LYS  26   2.519   7.933  -5.982
  201    HE2  LYS  25           HE2      LYS  26   0.146   7.721  -5.890
  202    HE3  LYS  25           HE1      LYS  26   0.154   7.738  -4.133
  203    HZ1  LYS  25           HZ1      LYS  26  -0.517   9.873  -5.090
  204    HZ2  LYS  25           HZ2      LYS  26   0.985  10.009  -5.859
  205    HZ3  LYS  25           HZ3      LYS  26   0.895  10.023  -4.172
  206    H    VAL  26           HN       VAL  27   4.540   4.365  -7.047
  207    HA   VAL  26           HA       VAL  27   2.040   3.860  -8.246
  208    HB   VAL  26           HB       VAL  27   3.225   3.745 -10.381
  209   HG11  VAL  26          HG11      VAL  27   4.192   5.929  -8.545
  210   HG12  VAL  26          HG12      VAL  27   2.688   5.920  -9.468
  211   HG13  VAL  26          HG13      VAL  27   4.239   5.988 -10.306
  212   HG21  VAL  26          HG21      VAL  27   5.193   2.511  -9.764
  213   HG22  VAL  26          HG22      VAL  27   5.725   3.815  -8.702
  214   HG23  VAL  26          HG23      VAL  27   5.675   4.064 -10.447
  215    H    ARG  27           HN       ARG  28   4.738   1.708  -7.478
  216    HA   ARG  27           HA       ARG  28   3.662  -0.491  -8.945
  217    HB2  ARG  27           HB2      ARG  28   5.284  -1.878  -7.781
  218    HB3  ARG  27           HB1      ARG  28   6.039  -0.397  -8.346
  219    HG2  ARG  27           HG2      ARG  28   5.973   0.525  -6.116
  220    HG3  ARG  27           HG1      ARG  28   5.111  -0.898  -5.530
  221    HD2  ARG  27           HD2      ARG  28   7.459  -1.055  -4.966
  222    HD3  ARG  27           HD1      ARG  28   7.032  -2.296  -6.141
  223    HE   ARG  27           HE       ARG  28   8.087   0.116  -7.310
  224   HH11  ARG  27          HH11      ARG  28   8.833  -3.043  -6.002
  225   HH12  ARG  27          HH12      ARG  28  10.408  -3.117  -6.727
  226   HH21  ARG  27          HH21      ARG  28  10.152   0.013  -8.291
  227   HH22  ARG  27          HH22      ARG  28  11.153  -1.380  -8.036
  228    H    LEU  28           HN       LEU  29   3.328   0.615  -5.602
  229    HA   LEU  28           HA       LEU  29   1.776  -1.629  -4.788
  230    HB2  LEU  28           HB2      LEU  29   1.962   1.116  -3.558
  231    HB3  LEU  28           HB1      LEU  29   1.275  -0.305  -2.797
  232    HG   LEU  28           HG       LEU  29   4.157   0.234  -3.439
  233   HD11  LEU  28          HD11      LEU  29   3.431   1.157  -1.368
  234   HD12  LEU  28          HD12      LEU  29   4.420  -0.264  -1.030
  235   HD13  LEU  28          HD13      LEU  29   2.663  -0.361  -0.903
  236   HD21  LEU  28          HD21      LEU  29   2.811  -2.350  -2.847
  237   HD22  LEU  28          HD22      LEU  29   4.495  -2.082  -2.420
  238   HD23  LEU  28          HD23      LEU  29   3.982  -1.981  -4.105
  239    H    LEU  29           HN       LEU  30   1.077   1.465  -6.252
  240    HA   LEU  29           HA       LEU  30  -1.710   1.502  -5.827
  241    HB2  LEU  29           HB2      LEU  30   0.132   2.801  -7.789
  242    HB3  LEU  29           HB1      LEU  30  -1.599   2.921  -8.019
  243    HG   LEU  29           HG       LEU  30  -0.132   3.822  -5.538
  244   HD11  LEU  29          HD11      LEU  30   0.511   5.351  -7.163
  245   HD12  LEU  29          HD12      LEU  30  -0.909   6.099  -6.435
  246   HD13  LEU  29          HD13      LEU  30  -1.044   5.279  -7.989
  247   HD21  LEU  29          HD21      LEU  30  -2.123   3.915  -4.581
  248   HD22  LEU  29          HD22      LEU  30  -2.882   3.284  -6.042
  249   HD23  LEU  29          HD23      LEU  30  -2.672   5.023  -5.836
  250    H    GLU  30           HN       GLU  31   0.095  -0.699  -7.560
  251    HA   GLU  30           HA       GLU  31  -2.015  -1.252  -9.518
  252    HB2  GLU  30           HB2      GLU  31   0.669  -2.597  -9.193
  253    HB3  GLU  30           HB1      GLU  31  -0.445  -2.798 -10.534
  254    HG2  GLU  30           HG2      GLU  31  -0.107  -0.464 -11.163
  255    HG3  GLU  30           HG1      GLU  31   1.015  -0.269  -9.815
  256    H    THR  31           HN       THR  32  -1.920  -1.843  -6.448
  257    HA   THR  31           HA       THR  32  -2.121  -4.767  -6.520
  258    HB   THR  31           HB       THR  32  -2.260  -2.941  -4.115
  259    HG1  THR  31           HG1      THR  32  -0.257  -2.555  -4.816
  260   HG21  THR  31          HG21      THR  32  -2.825  -4.896  -3.161
  261   HG22  THR  31          HG22      THR  32  -1.107  -5.262  -3.301
  262   HG23  THR  31          HG23      THR  32  -2.237  -5.849  -4.522
  263    H    GLU  32           HN       GLU  33  -4.045  -5.860  -5.947
  264    HA   GLU  32           HA       GLU  33  -6.431  -4.443  -6.606
  265    HB2  GLU  32           HB2      GLU  33  -6.164  -6.799  -7.197
  266    HB3  GLU  32           HB1      GLU  33  -6.085  -7.228  -5.493
  267    HG2  GLU  32           HG2      GLU  33  -8.366  -6.501  -5.167
  268    HG3  GLU  32           HG1      GLU  33  -8.456  -5.951  -6.838
  269    H    GLY  33           HN       GLY  34  -7.597  -3.226  -5.320
  270    HA2  GLY  33           HA2      GLY  34  -8.979  -2.994  -3.370
  271    HA3  GLY  33           HA1      GLY  34  -7.798  -3.940  -2.469
  272    H    VAL  34           HN       VAL  35  -6.276  -1.719  -4.498
  273    HA   VAL  34           HA       VAL  35  -5.481  -0.129  -2.216
  274    HB   VAL  34           HB       VAL  35  -3.925   0.991  -3.733
  275   HG11  VAL  34          HG11      VAL  35  -3.141  -1.006  -2.726
  276   HG12  VAL  34          HG12      VAL  35  -2.597  -0.996  -4.399
  277   HG13  VAL  34          HG13      VAL  35  -3.967  -2.000  -3.921
  278   HG21  VAL  34          HG21      VAL  35  -5.149  -0.712  -5.895
  279   HG22  VAL  34          HG22      VAL  35  -3.722   0.309  -6.070
  280   HG23  VAL  34          HG23      VAL  35  -5.296   1.040  -5.746
  281    H    LYS  35           HN       LYS  36  -5.974   1.953  -1.813
  282    HA   LYS  35           HA       LYS  36  -7.780   3.322  -3.702
  283    HB2  LYS  35           HB2      LYS  36  -7.559   3.624  -0.703
  284    HB3  LYS  35           HB1      LYS  36  -8.603   4.589  -1.734
  285    HG2  LYS  35           HG2      LYS  36  -8.787   1.608  -1.349
  286    HG3  LYS  35           HG1      LYS  36  -9.840   2.815  -0.613
  287    HD2  LYS  35           HD2      LYS  36  -9.514   2.415  -3.574
  288    HD3  LYS  35           HD1      LYS  36 -10.820   1.730  -2.618
  289    HE2  LYS  35           HE2      LYS  36 -11.540   3.975  -1.986
  290    HE3  LYS  35           HE1      LYS  36 -10.218   4.665  -2.923
  291    HZ1  LYS  35           HZ1      LYS  36 -12.249   4.753  -4.174
  292    HZ2  LYS  35           HZ2      LYS  36 -12.493   3.089  -3.995
  293    HZ3  LYS  35           HZ3      LYS  36 -11.191   3.660  -4.913
  294    H    GLU  36           HN       GLU  37  -4.906   3.499  -1.769
  295    HA   GLU  36           HA       GLU  37  -3.831   5.720  -3.145
  296    HB2  GLU  36           HB2      GLU  37  -5.424   7.002  -1.824
  297    HB3  GLU  36           HB1      GLU  37  -4.895   6.204  -0.355
  298    HG2  GLU  36           HG2      GLU  37  -3.991   8.422  -0.441
  299    HG3  GLU  36           HG1      GLU  37  -2.695   7.239  -0.599
  300    H    VAL  37           HN       VAL  38  -1.638   5.993  -2.634
  301    HA   VAL  37           HA       VAL  38  -0.579   4.275  -0.487
  302    HB   VAL  37           HB       VAL  38   0.640   4.534  -3.243
  303   HG11  VAL  37          HG11      VAL  38   2.322   4.436  -1.478
  304   HG12  VAL  37          HG12      VAL  38   2.311   2.944  -2.416
  305   HG13  VAL  37          HG13      VAL  38   1.564   2.990  -0.823
  306   HG21  VAL  37          HG21      VAL  38  -0.314   2.006  -1.949
  307   HG22  VAL  37          HG22      VAL  38   0.055   2.303  -3.645
  308   HG23  VAL  37          HG23      VAL  38  -1.390   3.004  -2.921
  309    H    LEU  38           HN       LEU  39   0.348   5.540   0.936
  310    HA   LEU  38           HA       LEU  39   1.559   8.072   0.058
  311    HB2  LEU  38           HB2      LEU  39  -0.332   7.958   1.773
  312    HB3  LEU  38           HB1      LEU  39   0.844   7.266   2.860
  313    HG   LEU  38           HG       LEU  39   1.426   9.904   1.583
  314   HD11  LEU  38          HD11      LEU  39  -0.885   9.957   2.488
  315   HD12  LEU  38          HD12      LEU  39   0.229  11.054   3.304
  316   HD13  LEU  38          HD13      LEU  39  -0.232   9.531   4.068
  317   HD21  LEU  38          HD21      LEU  39   2.136   8.499   4.136
  318   HD22  LEU  38          HD22      LEU  39   2.464  10.210   3.876
  319   HD23  LEU  38          HD23      LEU  39   3.217   8.997   2.838
  320    H    ILE  39           HN       ILE  40   3.721   8.360   0.253
  321    HA   ILE  39           HA       ILE  40   5.250   6.212   1.523
  322    HB   ILE  39           HB       ILE  40   5.945   8.313  -0.485
  323   HG12  ILE  39          HG12      ILE  40   7.060   6.444  -1.599
  324   HG13  ILE  39          HG11      ILE  40   6.695   5.395  -0.237
  325   HG21  ILE  39          HG21      ILE  40   7.795   7.196   1.572
  326   HG22  ILE  39          HG22      ILE  40   7.698   8.832   0.910
  327   HG23  ILE  39          HG23      ILE  40   8.398   7.532  -0.055
  328   HD11  ILE  39          HD11      ILE  40   4.457   5.283  -0.782
  329   HD12  ILE  39          HD12      ILE  40   5.256   5.253  -2.349
  330   HD13  ILE  39          HD13      ILE  40   4.513   6.742  -1.763
  331    H    ALA  40           HN       ALA  41   6.133   6.441   3.442
  332    HA   ALA  40           HA       ALA  41   6.598   9.156   4.482
  333    HB1  ALA  40           HB1      ALA  41   5.805   6.660   5.960
  334    HB2  ALA  40           HB2      ALA  41   4.823   8.109   5.732
  335    HB3  ALA  40           HB3      ALA  41   6.273   8.172   6.740
  336    H    GLU  41           HN       GLU  42   8.702   9.186   3.668
  337    HA   GLU  41           HA       GLU  42  10.579   7.110   3.891
  338    HB2  GLU  41           HB2      GLU  42  11.023  10.079   3.711
  339    HB3  GLU  41           HB1      GLU  42  12.263   8.869   3.463
  340    HG2  GLU  41           HG2      GLU  42  11.112   8.047   1.520
  341    HG3  GLU  41           HG1      GLU  42   9.774   9.160   1.807
  342    H    GLU  42           HN       GLU  43   9.663   9.682   6.070
  343    HA   GLU  42           HA       GLU  43  11.839   9.539   7.854
  344    HB2  GLU  42           HB2      GLU  43  10.148  11.379   7.719
  345    HB3  GLU  42           HB1      GLU  43   8.981  10.307   8.477
  346    HG2  GLU  42           HG2      GLU  43  10.431  10.178  10.457
  347    HG3  GLU  42           HG1      GLU  43  11.544  11.306   9.684
  348    H    GLU  43           HN       GLU  44   8.938   7.635   7.506
  349    HA   GLU  43           HA       GLU  44   9.484   6.155   9.971
  350    HB2  GLU  43           HB2      GLU  44   7.243   5.799   7.969
  351    HB3  GLU  43           HB1      GLU  44   7.363   5.024   9.540
  352    HG2  GLU  43           HG2      GLU  44   7.089   7.984   9.086
  353    HG3  GLU  43           HG1      GLU  44   5.772   6.890   9.500
  354    H    HIS  44           HN       HIS  45  10.466   6.136   6.840
  355    HA   HIS  44           HA       HIS  45  11.119   4.646   5.256
  356    HB2  HIS  44           HB2      HIS  45  12.783   4.185   7.078
  357    HB3  HIS  44           HB1      HIS  45  11.753   2.870   7.629
  358    HD1  HIS  44           HD1      HIS  45  13.818   3.868   4.599
  359    HD2  HIS  44           HD2      HIS  45  12.159   0.489   6.361
  360    HE1  HIS  44           HE1      HIS  45  14.698   1.913   3.283
  361    HE2  HIS  44           HE2      HIS  45  13.795  -0.125   4.459
  362    H    SER  45           HN       SER  46   8.383   4.681   5.878
  363    HA   SER  45           HA       SER  46   7.634   1.967   5.135
  364    HB2  SER  45           HB2      SER  46   6.271   3.439   7.403
  365    HB3  SER  45           HB1      SER  46   5.907   1.813   6.833
  366    HG   SER  45           HG       SER  46   8.341   2.674   8.029
  367    H    ALA  46           HN       ALA  47   5.466   1.817   4.299
  368    HA   ALA  46           HA       ALA  47   4.559   4.343   3.083
  369    HB1  ALA  46           HB1      ALA  47   5.244   2.476   1.563
  370    HB2  ALA  46           HB2      ALA  47   3.595   3.039   1.326
  371    HB3  ALA  46           HB3      ALA  47   3.898   1.537   2.200
  372    H    TYR  47           HN       TYR  48   2.275   4.717   2.966
  373    HA   TYR  47           HA       TYR  48   0.667   3.050   4.769
  374    HB2  TYR  47           HB2      TYR  48   0.456   6.036   4.301
  375    HB3  TYR  47           HB1      TYR  48  -0.744   5.087   5.171
  376    HD1  TYR  47           HD1      TYR  48  -0.276   4.218   7.392
  377    HD2  TYR  47           HD2      TYR  48   2.627   6.512   5.293
  378    HE1  TYR  47           HE1      TYR  48   0.995   4.509   9.478
  379    HE2  TYR  47           HE2      TYR  48   3.904   6.802   7.373
  380    HH   TYR  47           HH       TYR  48   3.437   6.789   9.824
  381    H    VAL  48           HN       VAL  49  -0.393   1.774   3.477
  382    HA   VAL  48           HA       VAL  49  -1.430   2.812   0.937
  383    HB   VAL  48           HB       VAL  49  -1.215  -0.053   1.865
  384   HG11  VAL  48          HG11      VAL  49  -1.857   1.116  -0.813
  385   HG12  VAL  48          HG12      VAL  49  -2.953   0.219   0.227
  386   HG13  VAL  48          HG13      VAL  49  -1.569  -0.591  -0.508
  387   HG21  VAL  48          HG21      VAL  49   0.976   1.055   1.608
  388   HG22  VAL  48          HG22      VAL  49   0.550   1.435  -0.063
  389   HG23  VAL  48          HG23      VAL  49   0.718  -0.246   0.442
  390    H    LYS  49           HN       LYS  50  -3.425   3.544   1.060
  391    HA   LYS  49           HA       LYS  50  -5.255   2.622   3.086
  392    HB2  LYS  49           HB2      LYS  50  -5.625   4.520   0.757
  393    HB3  LYS  49           HB1      LYS  50  -6.844   4.199   1.983
  394    HG2  LYS  49           HG2      LYS  50  -5.357   5.078   3.700
  395    HG3  LYS  49           HG1      LYS  50  -4.124   5.382   2.478
  396    HD2  LYS  49           HD2      LYS  50  -5.885   6.828   1.318
  397    HD3  LYS  49           HD1      LYS  50  -6.786   6.725   2.830
  398    HE2  LYS  49           HE2      LYS  50  -5.047   7.766   4.057
  399    HE3  LYS  49           HE1      LYS  50  -3.917   7.621   2.716
  400    HZ1  LYS  49           HZ1      LYS  50  -4.715   9.867   2.908
  401    HZ2  LYS  49           HZ2      LYS  50  -6.327   9.364   2.803
  402    HZ3  LYS  49           HZ3      LYS  50  -5.295   9.196   1.472
  403    H    ILE  50           HN       ILE  51  -6.504   0.905   2.893
  404    HA   ILE  50           HA       ILE  51  -6.820  -0.265   0.222
  405    HB   ILE  50           HB       ILE  51  -7.375  -2.355   1.316
  406   HG12  ILE  50          HG12      ILE  51  -6.872  -0.963   3.946
  407   HG13  ILE  50          HG11      ILE  51  -8.480  -1.296   3.312
  408   HG21  ILE  50          HG21      ILE  51  -4.934  -1.139   2.494
  409   HG22  ILE  50          HG22      ILE  51  -5.039  -1.846   0.893
  410   HG23  ILE  50          HG23      ILE  51  -5.242  -2.851   2.328
  411   HD11  ILE  50          HD11      ILE  51  -8.067  -3.669   3.422
  412   HD12  ILE  50          HD12      ILE  51  -7.749  -2.929   4.990
  413   HD13  ILE  50          HD13      ILE  51  -6.406  -3.384   3.941
  414    H    ASP  51           HN       ASP  52  -8.734  -1.166  -0.387
  415    HA   ASP  51           HA       ASP  52 -11.114   0.202   0.579
  416    HB2  ASP  51           HB2      ASP  52 -10.622  -0.047  -1.868
  417    HB3  ASP  51           HB1      ASP  52 -10.822  -1.780  -1.689
  418    H    SER  52           HN       SER  53 -11.756  -0.686   2.450
  419    HA   SER  52           HA       SER  53 -11.309  -3.383   3.163
  420    HB2  SER  52           HB2      SER  53 -13.269  -1.450   4.414
  421    HB3  SER  52           HB1      SER  53 -12.553  -2.873   5.172
  422    HG   SER  52           HG       SER  53 -11.297  -0.446   4.423
  423    H    LYS  53           HN       LYS  54 -13.554  -2.142   1.051
  424    HA   LYS  53           HA       LYS  54 -15.693  -3.997   1.696
  425    HB2  LYS  53           HB2      LYS  54 -15.394  -2.025  -0.577
  426    HB3  LYS  53           HB1      LYS  54 -16.836  -2.972  -0.246
  427    HG2  LYS  53           HG2      LYS  54 -15.644  -0.986   1.676
  428    HG3  LYS  53           HG1      LYS  54 -16.940  -0.615   0.540
  429    HD2  LYS  53           HD2      LYS  54 -17.089  -2.767   2.648
  430    HD3  LYS  53           HD1      LYS  54 -17.724  -1.134   2.849
  431    HE2  LYS  53           HE2      LYS  54 -19.212  -1.480   0.937
  432    HE3  LYS  53           HE1      LYS  54 -18.577  -3.111   0.734
  433    HZ1  LYS  53           HZ1      LYS  54 -20.030  -2.108   3.123
  434    HZ2  LYS  53           HZ2      LYS  54 -19.423  -3.673   2.922
  435    HZ3  LYS  53           HZ3      LYS  54 -20.672  -3.119   1.928
  436    H    VAL  54           HN       VAL  55 -12.853  -3.955  -0.202
  437    HA   VAL  54           HA       VAL  55 -13.858  -6.263  -1.737
  438    HB   VAL  54           HB       VAL  55 -13.313  -4.254  -3.131
  439   HG11  VAL  54          HG11      VAL  55 -11.369  -3.530  -1.761
  440   HG12  VAL  54          HG12      VAL  55 -11.074  -3.566  -3.498
  441   HG13  VAL  54          HG13      VAL  55 -10.447  -4.855  -2.468
  442   HG21  VAL  54          HG21      VAL  55 -13.339  -6.433  -4.147
  443   HG22  VAL  54          HG22      VAL  55 -11.692  -6.746  -3.601
  444   HG23  VAL  54          HG23      VAL  55 -11.997  -5.501  -4.812
  445    H    THR  55           HN       THR  56 -11.206  -5.020   0.225
  446    HA   THR  55           HA       THR  56  -9.982  -7.682   0.093
  447    HB   THR  55           HB       THR  56  -8.786  -6.248  -1.495
  448    HG1  THR  55           HG1      THR  56  -7.096  -7.343  -0.897
  449   HG21  THR  55          HG21      THR  56  -8.323  -4.490   0.902
  450   HG22  THR  55          HG22      THR  56  -9.090  -4.063  -0.622
  451   HG23  THR  55          HG23      THR  56  -7.359  -4.393  -0.565
  452    H    ASN  56           HN       ASN  57  -7.876  -7.449   1.645
  453    HA   ASN  56           HA       ASN  57  -8.756  -6.460   4.265
  454    HB2  ASN  56           HB2      ASN  57  -9.575  -8.754   4.135
  455    HB3  ASN  56           HB1      ASN  57  -8.002  -9.312   3.590
  456   HD21  ASN  56          HD21      ASN  57  -7.811 -10.769   5.228
  457   HD22  ASN  56          HD22      ASN  57  -7.499 -10.303   6.868
  458    H    ARG  57           HN       ARG  58  -7.010  -6.002   5.652
  459    HA   ARG  57           HA       ARG  58  -4.799  -4.917   4.505
  460    HB2  ARG  57           HB2      ARG  58  -5.373  -4.315   6.743
  461    HB3  ARG  57           HB1      ARG  58  -5.110  -5.955   7.320
  462    HG2  ARG  57           HG2      ARG  58  -2.755  -5.772   7.000
  463    HG3  ARG  57           HG1      ARG  58  -2.931  -4.241   6.153
  464    HD2  ARG  57           HD2      ARG  58  -2.189  -3.690   8.315
  465    HD3  ARG  57           HD1      ARG  58  -3.913  -3.324   8.302
  466    HE   ARG  57           HE       ARG  58  -3.907  -5.807   9.288
  467   HH11  ARG  57          HH11      ARG  58  -1.987  -2.996  10.101
  468   HH12  ARG  57          HH12      ARG  58  -1.750  -3.473  11.752
  469   HH21  ARG  57          HH21      ARG  58  -3.605  -6.435  11.465
  470   HH22  ARG  57          HH22      ARG  58  -2.659  -5.436  12.524
  471    H    PHE  58           HN       PHE  59  -4.794  -8.112   6.131
  472    HA   PHE  58           HA       PHE  59  -2.017  -8.503   5.772
  473    HB2  PHE  58           HB2      PHE  59  -3.695  -9.694   7.363
  474    HB3  PHE  58           HB1      PHE  59  -3.997 -10.764   6.003
  475    HD1  PHE  58           HD1      PHE  59  -1.644 -11.592   4.876
  476    HD2  PHE  58           HD2      PHE  59  -2.259 -10.480   8.933
  477    HE1  PHE  58           HE1      PHE  59   0.277 -12.973   5.543
  478    HE2  PHE  58           HE2      PHE  59  -0.336 -11.855   9.606
  479    HZ   PHE  58           HZ       PHE  59   0.937 -13.105   7.909
  480    H    GLU  59           HN       GLU  60  -4.816  -9.544   3.903
  481    HA   GLU  59           HA       GLU  60  -3.442 -11.259   2.134
  482    HB2  GLU  59           HB2      GLU  60  -6.075  -9.808   1.828
  483    HB3  GLU  59           HB1      GLU  60  -5.523 -11.112   0.788
  484    HG2  GLU  59           HG2      GLU  60  -5.592 -12.675   2.587
  485    HG3  GLU  59           HG1      GLU  60  -5.906 -11.393   3.755
  486    H    VAL  60           HN       VAL  61  -4.594  -7.920   1.757
  487    HA   VAL  60           HA       VAL  61  -3.495  -7.620  -0.849
  488    HB   VAL  60           HB       VAL  61  -5.402  -6.286  -0.031
  489   HG11  VAL  60          HG11      VAL  61  -4.581  -5.914   2.258
  490   HG12  VAL  60          HG12      VAL  61  -5.111  -4.438   1.456
  491   HG13  VAL  60          HG13      VAL  61  -3.389  -4.780   1.619
  492   HG21  VAL  60          HG21      VAL  61  -2.990  -4.755  -0.942
  493   HG22  VAL  60          HG22      VAL  61  -4.623  -4.091  -0.908
  494   HG23  VAL  60          HG23      VAL  61  -4.254  -5.471  -1.943
  495    H    GLU  61           HN       GLU  62  -2.355  -6.931   2.394
  496    HA   GLU  61           HA       GLU  62   0.004  -5.539   1.903
  497    HB2  GLU  61           HB2      GLU  62  -1.121  -6.224   4.113
  498    HB3  GLU  61           HB1      GLU  62  -0.275  -7.742   3.937
  499    HG2  GLU  61           HG2      GLU  62   1.097  -5.084   4.062
  500    HG3  GLU  61           HG1      GLU  62   0.767  -6.084   5.465
  501    H    GLN  62           HN       GLN  63  -0.621  -9.026   1.894
  502    HA   GLN  62           HA       GLN  63   1.945  -9.933   1.275
  503    HB2  GLN  62           HB2      GLN  63   0.080 -11.410   1.930
  504    HB3  GLN  62           HB1      GLN  63  -0.701 -11.095   0.389
  505    HG2  GLN  62           HG2      GLN  63   1.230 -12.095  -0.761
  506    HG3  GLN  62           HG1      GLN  63   1.928 -12.493   0.809
  507   HE21  GLN  62          HE21      GLN  63  -0.740 -13.074   1.931
  508   HE22  GLN  62          HE22      GLN  63  -1.173 -14.623   1.302
  509    H    ALA  63           HN       ALA  64  -0.707  -8.938  -0.864
  510    HA   ALA  63           HA       ALA  64   0.677  -9.388  -3.291
  511    HB1  ALA  63           HB1      ALA  64  -1.535  -7.414  -2.745
  512    HB2  ALA  63           HB2      ALA  64  -1.758  -9.115  -3.147
  513    HB3  ALA  63           HB3      ALA  64  -1.036  -8.019  -4.324
  514    H    ILE  64           HN       ILE  65   0.436  -6.548  -1.184
  515    HA   ILE  64           HA       ILE  65   1.919  -4.772  -2.772
  516    HB   ILE  64           HB       ILE  65   1.221  -4.916   0.112
  517   HG12  ILE  64          HG12      ILE  65   0.982  -2.319  -0.886
  518   HG13  ILE  64          HG11      ILE  65   0.563  -3.360  -2.239
  519   HG21  ILE  64          HG21      ILE  65   3.578  -4.381   0.258
  520   HG22  ILE  64          HG22      ILE  65   2.598  -2.974   0.671
  521   HG23  ILE  64          HG23      ILE  65   3.374  -3.075  -0.909
  522   HD11  ILE  64          HD11      ILE  65  -1.143  -4.435  -0.941
  523   HD12  ILE  64          HD12      ILE  65  -1.380  -2.687  -0.914
  524   HD13  ILE  64          HD13      ILE  65  -0.687  -3.505   0.487
  525    H    ARG  65           HN       ARG  66   2.945  -7.135  -0.334
  526    HA   ARG  65           HA       ARG  66   5.684  -6.682  -0.359
  527    HB2  ARG  65           HB2      ARG  66   4.749  -8.227   1.216
  528    HB3  ARG  65           HB1      ARG  66   4.121  -9.246  -0.070
  529    HG2  ARG  65           HG2      ARG  66   6.894  -9.061  -0.491
  530    HG3  ARG  65           HG1      ARG  66   6.660  -9.344   1.236
  531    HD2  ARG  65           HD2      ARG  66   5.410 -10.975  -0.975
  532    HD3  ARG  65           HD1      ARG  66   6.854 -11.437  -0.068
  533    HE   ARG  65           HE       ARG  66   4.905 -10.944   1.822
  534   HH11  ARG  65          HH11      ARG  66   5.291 -13.122  -0.887
  535   HH12  ARG  65          HH12      ARG  66   4.346 -14.390  -0.172
  536   HH21  ARG  65          HH21      ARG  66   3.676 -12.611   2.782
  537   HH22  ARG  65          HH22      ARG  66   3.433 -14.101   1.928
  538    H    GLN  66           HN       GLN  67   3.708  -8.608  -2.563
  539    HA   GLN  66           HA       GLN  67   5.763  -9.706  -4.107
  540    HB2  GLN  66           HB2      GLN  67   2.932  -8.955  -4.815
  541    HB3  GLN  66           HB1      GLN  67   4.002  -9.811  -5.920
  542    HG2  GLN  66           HG2      GLN  67   4.079 -11.705  -4.566
  543    HG3  GLN  66           HG1      GLN  67   3.441 -10.840  -3.171
  544   HE21  GLN  66          HE21      GLN  67   1.773 -12.320  -2.895
  545   HE22  GLN  66          HE22      GLN  67   0.418 -12.402  -3.964
  546    H    ALA  67           HN       ALA  68   4.149  -6.589  -4.263
  547    HA   ALA  67           HA       ALA  68   5.282  -5.720  -6.703
  548    HB1  ALA  67           HB1      ALA  68   4.196  -4.204  -4.348
  549    HB2  ALA  67           HB2      ALA  68   3.381  -4.573  -5.867
  550    HB3  ALA  67           HB3      ALA  68   4.723  -3.430  -5.842
  551    H    LEU  68           HN       LEU  69   6.506  -5.746  -3.407
  552    HA   LEU  68           HA       LEU  69   8.839  -4.178  -4.111
  553    HB2  LEU  68           HB2      LEU  69   8.023  -5.648  -1.621
  554    HB3  LEU  68           HB1      LEU  69   9.631  -4.997  -1.798
  555    HG   LEU  68           HG       LEU  69   8.736  -3.243  -0.721
  556   HD11  LEU  68          HD11      LEU  69   9.282  -2.353  -2.917
  557   HD12  LEU  68          HD12      LEU  69   7.937  -1.484  -2.179
  558   HD13  LEU  68          HD13      LEU  69   7.631  -2.660  -3.457
  559   HD21  LEU  68          HD21      LEU  69   6.664  -4.358  -0.261
  560   HD22  LEU  68          HD22      LEU  69   6.050  -3.958  -1.866
  561   HD23  LEU  68          HD23      LEU  69   6.362  -2.675  -0.692
  562    H    GLU  69           HN       GLU  70   7.910  -7.501  -3.967
  563    HA   GLU  69           HA       GLU  70  10.550  -8.594  -4.054
  564    HB2  GLU  69           HB2      GLU  70   7.783  -9.704  -4.470
  565    HB3  GLU  69           HB1      GLU  70   9.205 -10.672  -4.852
  566    HG2  GLU  69           HG2      GLU  70   8.624  -9.441  -2.168
  567    HG3  GLU  69           HG1      GLU  70   8.293 -11.116  -2.612
  Start of MODEL    7
    1    H1   MET   0           HT1      MET   1 -21.433  12.403  -2.943
    2    H2   MET   0           HT2      MET   1 -21.286  12.840  -4.567
    3    H3   MET   0           HT3      MET   1 -22.179  13.810  -3.511
    4    HA   MET   0           HA       MET   1 -20.021  14.777  -4.001
    5    HB2  MET   0           HB2      MET   1 -20.418  13.791  -1.168
    6    HB3  MET   0           HB1      MET   1 -19.265  15.035  -1.625
    7    HG2  MET   0           HG2      MET   1 -22.252  15.184  -1.938
    8    HG3  MET   0           HG1      MET   1 -21.285  16.013  -0.719
    9    HE1  MET   0           HE1      MET   1 -22.435  18.967  -2.996
   10    HE2  MET   0           HE2      MET   1 -22.350  18.340  -1.348
   11    HE3  MET   0           HE3      MET   1 -23.365  17.538  -2.546
   12    H    GLY   1           HN       GLY   2 -17.806  14.594  -4.137
   13    HA2  GLY   1           HA2      GLY   2 -16.802  11.882  -4.309
   14    HA3  GLY   1           HA1      GLY   2 -15.952  13.346  -4.784
   15    H    LYS   2           HN       LYS   3 -17.208  11.803  -1.846
   16    HA   LYS   2           HA       LYS   3 -14.950  12.875  -0.323
   17    HB2  LYS   2           HB2      LYS   3 -16.215  12.064   1.653
   18    HB3  LYS   2           HB1      LYS   3 -17.145  13.187   0.671
   19    HG2  LYS   2           HG2      LYS   3 -18.321  11.287  -0.354
   20    HG3  LYS   2           HG1      LYS   3 -17.414  10.187   0.684
   21    HD2  LYS   2           HD2      LYS   3 -19.227  12.383   1.681
   22    HD3  LYS   2           HD1      LYS   3 -19.700  10.694   1.517
   23    HE2  LYS   2           HE2      LYS   3 -17.896  10.071   3.085
   24    HE3  LYS   2           HE1      LYS   3 -17.512  11.780   3.285
   25    HZ1  LYS   2           HZ1      LYS   3 -19.698  12.151   4.194
   26    HZ2  LYS   2           HZ2      LYS   3 -18.933  10.923   5.065
   27    HZ3  LYS   2           HZ3      LYS   3 -20.127  10.538   3.935
   28    H    GLU   3           HN       GLU   4 -13.925  11.356   1.277
   29    HA   GLU   3           HA       GLU   4 -13.186   8.921  -0.095
   30    HB2  GLU   3           HB2      GLU   4 -11.536   8.625   1.710
   31    HB3  GLU   3           HB1      GLU   4 -11.403  10.201   0.951
   32    HG2  GLU   3           HG2      GLU   4 -12.914   9.783   3.510
   33    HG3  GLU   3           HG1      GLU   4 -11.179  10.086   3.477
   34    HA   PRO   4           HA       PRO   5 -16.224   6.465   1.942
   35    HB2  PRO   4           HB2      PRO   5 -14.498   4.149   1.446
   36    HB3  PRO   4           HB1      PRO   5 -16.095   4.509   0.799
   37    HG2  PRO   4           HG2      PRO   5 -13.876   4.605  -0.723
   38    HG3  PRO   4           HG1      PRO   5 -15.262   5.675  -0.994
   39    HD2  PRO   4           HD2      PRO   5 -12.654   6.247   0.340
   40    HD3  PRO   4           HD1      PRO   5 -13.616   7.269  -0.747
   41    HA   PRO   5           HA       PRO   6 -14.466   5.966   6.023
   42    HB2  PRO   5           HB2      PRO   6 -16.900   4.544   6.769
   43    HB3  PRO   5           HB1      PRO   6 -16.328   6.126   7.301
   44    HG2  PRO   5           HG2      PRO   6 -18.487   5.805   5.692
   45    HG3  PRO   5           HG1      PRO   6 -17.443   7.235   5.634
   46    HD2  PRO   5           HD2      PRO   6 -17.511   4.863   3.810
   47    HD3  PRO   5           HD1      PRO   6 -17.290   6.584   3.426
   48    H    TYR   6           HN       TYR   7 -14.486   3.718   3.822
   49    HA   TYR   6           HA       TYR   7 -14.202   1.411   5.617
   50    HB2  TYR   6           HB2      TYR   7 -14.326   1.366   2.611
   51    HB3  TYR   6           HB1      TYR   7 -14.491   0.003   3.705
   52    HD1  TYR   6           HD1      TYR   7 -16.553  -0.012   5.256
   53    HD2  TYR   6           HD2      TYR   7 -16.199   2.504   1.849
   54    HE1  TYR   6           HE1      TYR   7 -19.001   0.240   5.191
   55    HE2  TYR   6           HE2      TYR   7 -18.639   2.767   1.775
   56    HH   TYR   6           HH       TYR   7 -20.680   1.807   4.317
   57    H    VAL   7           HN       VAL   8 -12.396   3.769   4.214
   58    HA   VAL   7           HA       VAL   8 -10.236   2.334   3.120
   59    HB   VAL   7           HB       VAL   8  -8.964   4.489   3.511
   60   HG11  VAL   7          HG11      VAL   8 -10.035   3.963   1.402
   61   HG12  VAL   7          HG12      VAL   8 -10.203   5.682   1.761
   62   HG13  VAL   7          HG13      VAL   8 -11.569   4.593   2.002
   63   HG21  VAL   7          HG21      VAL   8 -10.266   6.464   4.099
   64   HG22  VAL   7          HG22      VAL   8 -10.243   5.301   5.425
   65   HG23  VAL   7          HG23      VAL   8 -11.674   5.449   4.406
   66    H    SER   8           HN       SER   9  -8.594   1.327   4.011
   67    HA   SER   8           HA       SER   9  -7.929   1.908   6.825
   68    HB2  SER   8           HB2      SER   9  -7.598  -0.785   5.478
   69    HB3  SER   8           HB1      SER   9  -7.409  -0.410   7.190
   70    HG   SER   8           HG       SER   9  -9.810   0.377   6.652
   71    H    SER   9           HN       SER  10  -5.925   2.731   7.025
   72    HA   SER   9           HA       SER  10  -4.156   2.606   4.720
   73    HB2  SER   9           HB2      SER  10  -3.759   4.143   7.294
   74    HB3  SER   9           HB1      SER  10  -2.936   4.398   5.754
   75    HG   SER   9           HG       SER  10  -5.668   4.851   6.362
   76    H    LEU  10           HN       LEU  11  -2.830   0.965   4.562
   77    HA   LEU  10           HA       LEU  11  -2.020  -0.558   6.899
   78    HB2  LEU  10           HB2      LEU  11  -1.094  -1.078   4.098
   79    HB3  LEU  10           HB1      LEU  11  -1.330  -2.227   5.397
   80    HG   LEU  10           HG       LEU  11  -3.437  -0.899   3.704
   81   HD11  LEU  10          HD11      LEU  11  -2.590  -3.762   4.078
   82   HD12  LEU  10          HD12      LEU  11  -2.361  -2.761   2.645
   83   HD13  LEU  10          HD13      LEU  11  -3.986  -3.235   3.139
   84   HD21  LEU  10          HD21      LEU  11  -3.817  -2.631   6.140
   85   HD22  LEU  10          HD22      LEU  11  -5.086  -2.190   5.001
   86   HD23  LEU  10          HD23      LEU  11  -4.289  -0.943   5.960
   87    H    ARG  11           HN       ARG  12  -0.042  -0.437   7.831
   88    HA   ARG  11           HA       ARG  12   1.919   1.355   6.623
   89    HB2  ARG  11           HB2      ARG  12   1.277   1.569   9.040
   90    HB3  ARG  11           HB1      ARG  12   2.033   0.003   9.324
   91    HG2  ARG  11           HG2      ARG  12   4.168   0.940   8.478
   92    HG3  ARG  11           HG1      ARG  12   3.383   2.517   8.365
   93    HD2  ARG  11           HD2      ARG  12   4.607   2.417  10.422
   94    HD3  ARG  11           HD1      ARG  12   2.883   2.380  10.791
   95    HE   ARG  11           HE       ARG  12   3.774  -0.258  10.601
   96   HH11  ARG  11          HH11      ARG  12   4.234   2.534  12.659
   97   HH12  ARG  11          HH12      ARG  12   4.643   1.593  14.060
   98   HH21  ARG  11          HH21      ARG  12   4.337  -1.502  12.419
   99   HH22  ARG  11          HH22      ARG  12   4.698  -0.711  13.923
  100    H    ILE  12           HN       ILE  13   3.211   0.423   5.188
  101    HA   ILE  12           HA       ILE  13   3.903  -2.408   5.459
  102    HB   ILE  12           HB       ILE  13   4.886  -0.836   3.141
  103   HG12  ILE  12          HG12      ILE  13   2.612   0.061   3.369
  104   HG13  ILE  12          HG11      ILE  13   2.750  -0.965   1.948
  105   HG21  ILE  12          HG21      ILE  13   3.597  -3.536   3.425
  106   HG22  ILE  12          HG22      ILE  13   5.329  -3.212   3.354
  107   HG23  ILE  12          HG23      ILE  13   4.311  -2.889   1.948
  108   HD11  ILE  12          HD11      ILE  13   1.673  -2.798   3.213
  109   HD12  ILE  12          HD12      ILE  13   0.652  -1.372   3.049
  110   HD13  ILE  12          HD13      ILE  13   1.472  -1.697   4.576
  111    H    GLU  13           HN       GLU  14   5.915  -3.073   6.003
  112    HA   GLU  13           HA       GLU  14   7.924  -1.118   6.623
  113    HB2  GLU  13           HB2      GLU  14   7.690  -3.025   8.086
  114    HB3  GLU  13           HB1      GLU  14   7.864  -4.140   6.738
  115    HG2  GLU  13           HG2      GLU  14  10.141  -3.330   6.404
  116    HG3  GLU  13           HG1      GLU  14   9.981  -2.309   7.827
  117    H    ILE  14           HN       ILE  15   9.056  -0.245   5.002
  118    HA   ILE  14           HA       ILE  15   9.177  -1.557   2.442
  119    HB   ILE  14           HB       ILE  15  10.416   1.021   3.407
  120   HG12  ILE  14          HG12      ILE  15   7.942   0.545   1.740
  121   HG13  ILE  14          HG11      ILE  15   7.929   0.914   3.457
  122   HG21  ILE  14          HG21      ILE  15  11.420  -0.190   1.349
  123   HG22  ILE  14          HG22      ILE  15  11.035   1.532   1.232
  124   HG23  ILE  14          HG23      ILE  15   9.942   0.336   0.535
  125   HD11  ILE  14          HD11      ILE  15   9.128   2.717   1.395
  126   HD12  ILE  14          HD12      ILE  15   8.790   3.085   3.080
  127   HD13  ILE  14          HD13      ILE  15   7.463   2.839   1.945
  128    HA   PRO  15           HA       PRO  16  13.029  -3.696   2.986
  129    HB2  PRO  15           HB2      PRO  16  13.653  -3.110   0.200
  130    HB3  PRO  15           HB1      PRO  16  13.332  -4.663   0.958
  131    HG2  PRO  15           HG2      PRO  16  11.633  -3.333  -0.776
  132    HG3  PRO  15           HG1      PRO  16  11.162  -4.638   0.311
  133    HD2  PRO  15           HD2      PRO  16  10.588  -1.784   0.470
  134    HD3  PRO  15           HD1      PRO  16   9.823  -3.123   1.328
  135    H    ALA  16           HN       ALA  17  14.997  -2.998   3.598
  136    HA   ALA  16           HA       ALA  17  15.540  -0.255   3.776
  137    HB1  ALA  16           HB1      ALA  17  17.474  -2.546   4.081
  138    HB2  ALA  16           HB2      ALA  17  16.409  -1.927   5.343
  139    HB3  ALA  16           HB3      ALA  17  17.690  -0.905   4.691
  140    H    ASP  17           HN       ASP  18  16.338  -2.575   1.336
  141    HA   ASP  17           HA       ASP  18  18.332  -0.941   0.048
  142    HB2  ASP  17           HB2      ASP  18  18.391  -3.400  -0.109
  143    HB3  ASP  17           HB1      ASP  18  16.846  -3.383  -0.950
  144    H    ILE  18           HN       ILE  19  14.903  -1.458  -0.186
  145    HA   ILE  18           HA       ILE  19  14.645  -0.086  -2.714
  146    HB   ILE  18           HB       ILE  19  12.728  -1.434  -0.841
  147   HG12  ILE  18          HG12      ILE  19  12.147  -2.755  -2.774
  148   HG13  ILE  18          HG11      ILE  19  13.070  -1.706  -3.832
  149   HG21  ILE  18          HG21      ILE  19  11.612   0.641  -1.394
  150   HG22  ILE  18          HG22      ILE  19  10.835  -0.709  -2.219
  151   HG23  ILE  18          HG23      ILE  19  11.910   0.367  -3.110
  152   HD11  ILE  18          HD11      ILE  19  14.284  -3.375  -1.658
  153   HD12  ILE  18          HD12      ILE  19  15.125  -2.495  -2.929
  154   HD13  ILE  18          HD13      ILE  19  14.131  -3.894  -3.334
  155    H    ALA  19           HN       ALA  20  14.075   2.013  -2.988
  156    HA   ALA  19           HA       ALA  20  14.187   3.731  -0.668
  157    HB1  ALA  19           HB1      ALA  20  14.076   5.561  -2.359
  158    HB2  ALA  19           HB2      ALA  20  13.988   4.325  -3.614
  159    HB3  ALA  19           HB3      ALA  20  15.420   4.442  -2.590
  160    H    ALA  20           HN       ALA  21  12.574   4.991   0.131
  161    HA   ALA  20           HA       ALA  21   9.852   4.297  -0.555
  162    HB1  ALA  20           HB1      ALA  21   9.277   5.805   1.312
  163    HB2  ALA  20           HB2      ALA  21  10.981   6.212   1.486
  164    HB3  ALA  20           HB3      ALA  21  10.434   4.563   1.781
  165    H    ASN  21           HN       ASN  22   9.508   5.127  -2.607
  166    HA   ASN  21           HA       ASN  22   9.421   8.036  -2.813
  167    HB2  ASN  21           HB2      ASN  22  10.533   7.926  -5.057
  168    HB3  ASN  21           HB1      ASN  22  11.592   7.539  -3.709
  169   HD21  ASN  21          HD21      ASN  22  13.006   6.396  -5.015
  170   HD22  ASN  21          HD22      ASN  22  12.618   4.833  -5.648
  171    H    GLU  22           HN       GLU  23   8.660   8.397  -5.378
  172    HA   GLU  22           HA       GLU  23   5.953   7.597  -5.312
  173    HB2  GLU  22           HB2      GLU  23   6.832   9.664  -6.421
  174    HB3  GLU  22           HB1      GLU  23   7.475   8.647  -7.703
  175    HG2  GLU  22           HG2      GLU  23   5.226   7.889  -8.244
  176    HG3  GLU  22           HG1      GLU  23   4.572   8.889  -6.948
  177    H    ALA  23           HN       ALA  24   8.782   6.218  -6.857
  178    HA   ALA  23           HA       ALA  24   7.515   4.502  -8.685
  179    HB1  ALA  23           HB1      ALA  24   9.926   4.910  -8.705
  180    HB2  ALA  23           HB2      ALA  24   9.572   3.184  -8.625
  181    HB3  ALA  23           HB3      ALA  24  10.089   4.046  -7.177
  182    H    LEU  24           HN       LEU  25   8.414   4.043  -5.292
  183    HA   LEU  24           HA       LEU  25   7.399   1.452  -4.938
  184    HB2  LEU  24           HB2      LEU  25   8.801   2.655  -3.284
  185    HB3  LEU  24           HB1      LEU  25   7.466   3.732  -2.957
  186    HG   LEU  24           HG       LEU  25   6.869   0.868  -2.594
  187   HD11  LEU  24          HD11      LEU  25   8.755   2.333  -0.757
  188   HD12  LEU  24          HD12      LEU  25   9.145   0.929  -1.750
  189   HD13  LEU  24          HD13      LEU  25   7.994   0.779  -0.423
  190   HD21  LEU  24          HD21      LEU  25   6.405   3.363  -0.961
  191   HD22  LEU  24          HD22      LEU  25   5.786   1.760  -0.566
  192   HD23  LEU  24          HD23      LEU  25   5.248   2.577  -2.034
  193    H    LYS  25           HN       LYS  26   5.910   4.617  -4.632
  194    HA   LYS  25           HA       LYS  26   3.409   3.863  -3.676
  195    HB2  LYS  25           HB2      LYS  26   4.129   6.164  -3.691
  196    HB3  LYS  25           HB1      LYS  26   4.229   6.168  -5.440
  197    HG2  LYS  25           HG2      LYS  26   1.768   5.747  -5.488
  198    HG3  LYS  25           HG1      LYS  26   1.763   6.013  -3.746
  199    HD2  LYS  25           HD2      LYS  26   2.735   8.247  -4.117
  200    HD3  LYS  25           HD1      LYS  26   2.634   7.974  -5.857
  201    HE2  LYS  25           HE2      LYS  26   0.221   7.734  -5.701
  202    HE3  LYS  25           HE1      LYS  26   0.295   7.953  -3.957
  203    HZ1  LYS  25           HZ1      LYS  26   1.134  10.187  -4.303
  204    HZ2  LYS  25           HZ2      LYS  26  -0.343   9.989  -5.100
  205    HZ3  LYS  25           HZ3      LYS  26   1.099   9.969  -5.980
  206    H    VAL  26           HN       VAL  27   4.440   4.394  -7.049
  207    HA   VAL  26           HA       VAL  27   1.875   3.925  -8.119
  208    HB   VAL  26           HB       VAL  27   2.952   3.832 -10.319
  209   HG11  VAL  26          HG11      VAL  27   3.985   5.998  -8.499
  210   HG12  VAL  26          HG12      VAL  27   2.433   5.986  -9.338
  211   HG13  VAL  26          HG13      VAL  27   3.934   6.089 -10.259
  212   HG21  VAL  26          HG21      VAL  27   4.961   2.618  -9.826
  213   HG22  VAL  26          HG22      VAL  27   5.516   3.890  -8.739
  214   HG23  VAL  26          HG23      VAL  27   5.402   4.199 -10.470
  215    H    ARG  27           HN       ARG  28   4.617   1.735  -7.590
  216    HA   ARG  27           HA       ARG  28   3.453  -0.414  -9.044
  217    HB2  ARG  27           HB2      ARG  28   5.084  -1.864  -7.967
  218    HB3  ARG  27           HB1      ARG  28   5.850  -0.385  -8.527
  219    HG2  ARG  27           HG2      ARG  28   5.929   0.483  -6.296
  220    HG3  ARG  27           HG1      ARG  28   4.995  -0.884  -5.687
  221    HD2  ARG  27           HD2      ARG  28   7.418  -1.083  -5.238
  222    HD3  ARG  27           HD1      ARG  28   6.784  -2.405  -6.218
  223    HE   ARG  27           HE       ARG  28   7.733  -1.209  -8.172
  224   HH11  ARG  27          HH11      ARG  28   9.016  -0.532  -4.981
  225   HH12  ARG  27          HH12      ARG  28  10.564  -0.026  -5.574
  226   HH21  ARG  27          HH21      ARG  28   9.772  -0.563  -8.945
  227   HH22  ARG  27          HH22      ARG  28  10.999  -0.064  -7.823
  228    H    LEU  28           HN       LEU  29   3.237   0.628  -5.682
  229    HA   LEU  28           HA       LEU  29   1.648  -1.604  -4.879
  230    HB2  LEU  28           HB2      LEU  29   1.948   1.096  -3.568
  231    HB3  LEU  28           HB1      LEU  29   1.274  -0.343  -2.828
  232    HG   LEU  28           HG       LEU  29   4.136   0.165  -3.591
  233   HD11  LEU  28          HD11      LEU  29   3.506   1.083  -1.471
  234   HD12  LEU  28          HD12      LEU  29   4.517  -0.338  -1.209
  235   HD13  LEU  28          HD13      LEU  29   2.771  -0.443  -0.983
  236   HD21  LEU  28          HD21      LEU  29   2.756  -2.396  -2.979
  237   HD22  LEU  28          HD22      LEU  29   4.457  -2.176  -2.594
  238   HD23  LEU  28          HD23      LEU  29   3.900  -2.038  -4.264
  239    H    LEU  29           HN       LEU  30   1.022   1.575  -6.197
  240    HA   LEU  29           HA       LEU  30  -1.746   1.717  -5.712
  241    HB2  LEU  29           HB2      LEU  30   0.120   2.974  -7.662
  242    HB3  LEU  29           HB1      LEU  30  -1.602   3.124  -7.937
  243    HG   LEU  29           HG       LEU  30  -0.178   4.005  -5.427
  244   HD11  LEU  29          HD11      LEU  30   0.527   5.520  -7.035
  245   HD12  LEU  29          HD12      LEU  30  -0.908   6.289  -6.359
  246   HD13  LEU  29          HD13      LEU  30  -1.001   5.457  -7.909
  247   HD21  LEU  29          HD21      LEU  30  -2.192   4.139  -4.516
  248   HD22  LEU  29          HD22      LEU  30  -2.924   3.508  -5.991
  249   HD23  LEU  29          HD23      LEU  30  -2.692   5.245  -5.793
  250    H    GLU  30           HN       GLU  31   0.015  -0.360  -7.736
  251    HA   GLU  30           HA       GLU  31  -2.231  -0.889  -9.503
  252    HB2  GLU  30           HB2      GLU  31   0.550  -2.045  -9.330
  253    HB3  GLU  30           HB1      GLU  31  -0.652  -2.541 -10.515
  254    HG2  GLU  30           HG2      GLU  31   0.296   0.289 -10.217
  255    HG3  GLU  30           HG1      GLU  31   1.036  -0.877 -11.306
  256    H    THR  31           HN       THR  32  -1.914  -1.636  -6.427
  257    HA   THR  31           HA       THR  32  -2.160  -4.533  -6.657
  258    HB   THR  31           HB       THR  32  -2.263  -2.831  -4.161
  259    HG1  THR  31           HG1      THR  32  -0.264  -2.485  -4.995
  260   HG21  THR  31          HG21      THR  32  -2.871  -4.817  -3.287
  261   HG22  THR  31          HG22      THR  32  -1.167  -5.224  -3.473
  262   HG23  THR  31          HG23      THR  32  -2.332  -5.718  -4.700
  263    H    GLU  32           HN       GLU  33  -4.022  -5.679  -6.157
  264    HA   GLU  32           HA       GLU  33  -6.422  -4.374  -6.894
  265    HB2  GLU  32           HB2      GLU  33  -5.947  -6.731  -7.422
  266    HB3  GLU  32           HB1      GLU  33  -6.034  -7.127  -5.713
  267    HG2  GLU  32           HG2      GLU  33  -8.368  -6.536  -5.649
  268    HG3  GLU  32           HG1      GLU  33  -8.305  -5.996  -7.326
  269    H    GLY  33           HN       GLY  34  -7.453  -2.998  -5.620
  270    HA2  GLY  33           HA2      GLY  34  -9.082  -2.853  -3.815
  271    HA3  GLY  33           HA1      GLY  34  -7.997  -3.833  -2.842
  272    H    VAL  34           HN       VAL  35  -6.187  -1.645  -4.590
  273    HA   VAL  34           HA       VAL  35  -5.601  -0.080  -2.242
  274    HB   VAL  34           HB       VAL  35  -3.969   1.087  -3.634
  275   HG11  VAL  34          HG11      VAL  35  -3.247  -0.967  -2.680
  276   HG12  VAL  34          HG12      VAL  35  -2.602  -0.857  -4.312
  277   HG13  VAL  34          HG13      VAL  35  -3.994  -1.890  -3.980
  278   HG21  VAL  34          HG21      VAL  35  -5.247   1.229  -5.699
  279   HG22  VAL  34          HG22      VAL  35  -5.100  -0.513  -5.921
  280   HG23  VAL  34          HG23      VAL  35  -3.664   0.508  -5.989
  281    H    LYS  35           HN       LYS  36  -6.091   2.040  -1.850
  282    HA   LYS  35           HA       LYS  36  -7.850   3.389  -3.793
  283    HB2  LYS  35           HB2      LYS  36  -7.664   3.707  -0.796
  284    HB3  LYS  35           HB1      LYS  36  -8.620   4.749  -1.833
  285    HG2  LYS  35           HG2      LYS  36  -9.003   1.787  -1.458
  286    HG3  LYS  35           HG1      LYS  36 -10.003   3.064  -0.769
  287    HD2  LYS  35           HD2      LYS  36  -9.612   2.565  -3.709
  288    HD3  LYS  35           HD1      LYS  36 -11.008   2.041  -2.775
  289    HE2  LYS  35           HE2      LYS  36 -11.526   4.377  -2.249
  290    HE3  LYS  35           HE1      LYS  36 -10.128   4.896  -3.189
  291    HZ1  LYS  35           HZ1      LYS  36 -12.514   3.478  -4.235
  292    HZ2  LYS  35           HZ2      LYS  36 -11.153   3.886  -5.151
  293    HZ3  LYS  35           HZ3      LYS  36 -12.123   5.103  -4.490
  294    H    GLU  36           HN       GLU  37  -5.029   3.638  -1.763
  295    HA   GLU  36           HA       GLU  37  -3.873   5.733  -3.268
  296    HB2  GLU  36           HB2      GLU  37  -5.438   7.159  -2.148
  297    HB3  GLU  36           HB1      GLU  37  -5.096   6.422  -0.592
  298    HG2  GLU  36           HG2      GLU  37  -2.952   7.428  -0.504
  299    HG3  GLU  36           HG1      GLU  37  -3.075   7.983  -2.173
  300    H    VAL  37           HN       VAL  38  -1.696   5.889  -2.832
  301    HA   VAL  37           HA       VAL  38  -0.713   4.233  -0.598
  302    HB   VAL  37           HB       VAL  38   0.592   4.568  -3.304
  303   HG11  VAL  37          HG11      VAL  38   2.237   4.478  -1.498
  304   HG12  VAL  37          HG12      VAL  38   2.270   2.991  -2.446
  305   HG13  VAL  37          HG13      VAL  38   1.482   3.015  -0.872
  306   HG21  VAL  37          HG21      VAL  38  -0.342   2.009  -2.055
  307   HG22  VAL  37          HG22      VAL  38   0.057   2.331  -3.742
  308   HG23  VAL  37          HG23      VAL  38  -1.418   2.996  -3.039
  309    H    LEU  38           HN       LEU  39   0.330   5.292   0.867
  310    HA   LEU  38           HA       LEU  39   1.465   7.925   0.251
  311    HB2  LEU  38           HB2      LEU  39   0.555   6.648   2.793
  312    HB3  LEU  38           HB1      LEU  39   1.473   8.134   2.768
  313    HG   LEU  38           HG       LEU  39  -0.442   9.015   1.258
  314   HD11  LEU  38          HD11      LEU  39  -1.530   6.840   0.907
  315   HD12  LEU  38          HD12      LEU  39  -2.608   8.004   1.679
  316   HD13  LEU  38          HD13      LEU  39  -1.849   6.732   2.638
  317   HD21  LEU  38          HD21      LEU  39  -0.206   8.637   4.140
  318   HD22  LEU  38          HD22      LEU  39  -1.797   9.153   3.578
  319   HD23  LEU  38          HD23      LEU  39  -0.367  10.122   3.206
  320    H    ILE  39           HN       ILE  40   3.574   8.367   0.604
  321    HA   ILE  39           HA       ILE  40   5.266   6.155   1.550
  322    HB   ILE  39           HB       ILE  40   5.721   8.413  -0.331
  323   HG12  ILE  39          HG12      ILE  40   7.064   6.744  -1.516
  324   HG13  ILE  39          HG11      ILE  40   6.843   5.609  -0.194
  325   HG21  ILE  39          HG21      ILE  40   7.831   7.406   1.561
  326   HG22  ILE  39          HG22      ILE  40   7.378   9.074   1.190
  327   HG23  ILE  39          HG23      ILE  40   8.231   8.106  -0.011
  328   HD11  ILE  39          HD11      ILE  40   4.648   5.214  -0.751
  329   HD12  ILE  39          HD12      ILE  40   5.417   5.393  -2.323
  330   HD13  ILE  39          HD13      ILE  40   4.484   6.726  -1.638
  331    H    ALA  40           HN       ALA  41   6.194   6.287   3.476
  332    HA   ALA  40           HA       ALA  41   6.542   8.941   4.712
  333    HB1  ALA  40           HB1      ALA  41   6.309   6.223   5.992
  334    HB2  ALA  40           HB2      ALA  41   5.107   7.513   6.051
  335    HB3  ALA  40           HB3      ALA  41   6.660   7.713   6.866
  336    H    GLU  41           HN       GLU  42   8.469   9.365   3.671
  337    HA   GLU  41           HA       GLU  42  10.423   7.437   3.111
  338    HB2  GLU  41           HB2      GLU  42   9.949   9.919   2.229
  339    HB3  GLU  41           HB1      GLU  42  11.259  10.268   3.350
  340    HG2  GLU  41           HG2      GLU  42  12.597   8.504   2.203
  341    HG3  GLU  41           HG1      GLU  42  11.301   8.399   1.009
  342    H    GLU  42           HN       GLU  43  10.162   9.797   5.722
  343    HA   GLU  42           HA       GLU  43  12.741   9.365   6.793
  344    HB2  GLU  42           HB2      GLU  43  10.242  10.420   8.131
  345    HB3  GLU  42           HB1      GLU  43  11.849  10.478   8.828
  346    HG2  GLU  42           HG2      GLU  43  11.306  12.621   7.934
  347    HG3  GLU  42           HG1      GLU  43  12.586  11.896   6.972
  348    H    GLU  43           HN       GLU  44   9.712   7.700   7.169
  349    HA   GLU  43           HA       GLU  44  10.671   6.160   9.447
  350    HB2  GLU  43           HB2      GLU  44   8.080   5.911   7.907
  351    HB3  GLU  43           HB1      GLU  44   8.460   5.121   9.430
  352    HG2  GLU  43           HG2      GLU  44   8.153   8.078   8.974
  353    HG3  GLU  43           HG1      GLU  44   7.016   7.014   9.802
  354    H    HIS  44           HN       HIS  45  10.758   6.035   6.104
  355    HA   HIS  44           HA       HIS  45  11.216   4.498   4.513
  356    HB2  HIS  44           HB2      HIS  45  13.062   4.025   6.351
  357    HB3  HIS  44           HB1      HIS  45  12.172   2.520   6.545
  358    HD1  HIS  44           HD1      HIS  45  14.449   4.325   4.230
  359    HD2  HIS  44           HD2      HIS  45  12.329   0.753   4.340
  360    HE1  HIS  44           HE1      HIS  45  15.340   2.952   2.324
  361    HE2  HIS  44           HE2      HIS  45  13.921   0.873   2.302
  362    H    SER  45           HN       SER  46   8.653   4.610   5.490
  363    HA   SER  45           HA       SER  46   7.744   1.856   5.119
  364    HB2  SER  45           HB2      SER  46   7.796   2.357   7.574
  365    HB3  SER  45           HB1      SER  46   6.702   3.707   7.288
  366    HG   SER  45           HG       SER  46   6.086   1.034   6.575
  367    H    ALA  46           HN       ALA  47   5.441   1.770   4.530
  368    HA   ALA  46           HA       ALA  47   4.585   4.218   3.112
  369    HB1  ALA  46           HB1      ALA  47   5.359   2.402   1.599
  370    HB2  ALA  46           HB2      ALA  47   3.671   2.835   1.363
  371    HB3  ALA  46           HB3      ALA  47   4.092   1.368   2.245
  372    H    TYR  47           HN       TYR  48   2.355   4.678   3.146
  373    HA   TYR  47           HA       TYR  48   0.740   2.875   4.820
  374    HB2  TYR  47           HB2      TYR  48   0.488   5.870   4.471
  375    HB3  TYR  47           HB1      TYR  48  -0.710   4.880   5.283
  376    HD1  TYR  47           HD2      TYR  48   2.737   6.179   5.463
  377    HD2  TYR  47           HD1      TYR  48  -0.369   4.132   7.530
  378    HE1  TYR  47           HE2      TYR  48   3.967   6.453   7.575
  379    HE2  TYR  47           HE1      TYR  48   0.854   4.407   9.646
  380    HH   TYR  47           HH       TYR  48   3.495   6.520   9.979
  381    H    VAL  48           HN       VAL  49  -0.311   1.624   3.465
  382    HA   VAL  48           HA       VAL  49  -1.316   2.737   0.948
  383    HB   VAL  48           HB       VAL  49  -1.187  -0.141   1.844
  384   HG11  VAL  48          HG11      VAL  49  -1.930   1.113  -0.766
  385   HG12  VAL  48          HG12      VAL  49  -2.901   0.046   0.238
  386   HG13  VAL  48          HG13      VAL  49  -1.486  -0.581  -0.609
  387   HG21  VAL  48          HG21      VAL  49   1.025   0.939   1.592
  388   HG22  VAL  48          HG22      VAL  49   0.609   1.312  -0.084
  389   HG23  VAL  48          HG23      VAL  49   0.747  -0.367   0.435
  390    H    LYS  49           HN       LYS  50  -3.266   3.583   1.102
  391    HA   LYS  49           HA       LYS  50  -5.179   2.706   3.055
  392    HB2  LYS  49           HB2      LYS  50  -4.644   5.060   2.024
  393    HB3  LYS  49           HB1      LYS  50  -5.750   4.540   0.764
  394    HG2  LYS  49           HG2      LYS  50  -7.508   4.264   2.377
  395    HG3  LYS  49           HG1      LYS  50  -6.405   4.703   3.689
  396    HD2  LYS  49           HD2      LYS  50  -6.951   6.466   1.332
  397    HD3  LYS  49           HD1      LYS  50  -7.883   6.558   2.832
  398    HE2  LYS  49           HE2      LYS  50  -4.898   6.925   2.607
  399    HE3  LYS  49           HE1      LYS  50  -6.071   8.237   2.691
  400    HZ1  LYS  49           HZ1      LYS  50  -6.778   7.336   4.860
  401    HZ2  LYS  49           HZ2      LYS  50  -5.178   7.869   4.849
  402    HZ3  LYS  49           HZ3      LYS  50  -5.514   6.212   4.789
  403    H    ILE  50           HN       ILE  51  -6.439   0.977   2.728
  404    HA   ILE  50           HA       ILE  51  -6.869   0.089  -0.036
  405    HB   ILE  50           HB       ILE  51  -7.432  -2.102   0.881
  406   HG12  ILE  50          HG12      ILE  51  -6.418  -1.336   3.568
  407   HG13  ILE  50          HG11      ILE  51  -8.069  -0.875   3.172
  408   HG21  ILE  50          HG21      ILE  51  -4.871  -1.290   2.104
  409   HG22  ILE  50          HG22      ILE  51  -5.065  -1.271   0.361
  410   HG23  ILE  50          HG23      ILE  51  -5.258  -2.774   1.261
  411   HD11  ILE  50          HD11      ILE  51  -6.986  -3.681   3.029
  412   HD12  ILE  50          HD12      ILE  51  -8.655  -3.179   2.780
  413   HD13  ILE  50          HD13      ILE  51  -7.914  -3.018   4.371
  414    H    ASP  51           HN       ASP  52  -8.840  -1.082  -0.440
  415    HA   ASP  51           HA       ASP  52 -11.209   0.153   0.776
  416    HB2  ASP  51           HB2      ASP  52 -10.892   0.079  -1.741
  417    HB3  ASP  51           HB1      ASP  52 -11.027  -1.665  -1.638
  418    H    SER  52           HN       SER  53 -11.552  -0.978   2.661
  419    HA   SER  52           HA       SER  53 -10.813  -3.684   2.993
  420    HB2  SER  52           HB2      SER  53 -12.013  -3.509   5.176
  421    HB3  SER  52           HB1      SER  53 -10.851  -2.210   4.898
  422    HG   SER  52           HG       SER  53 -12.434  -0.792   4.719
  423    H    LYS  53           HN       LYS  54 -13.447  -2.448   1.362
  424    HA   LYS  53           HA       LYS  54 -15.332  -4.507   2.098
  425    HB2  LYS  53           HB2      LYS  54 -15.406  -2.584  -0.234
  426    HB3  LYS  53           HB1      LYS  54 -16.744  -3.566   0.344
  427    HG2  LYS  53           HG2      LYS  54 -15.386  -1.448   1.989
  428    HG3  LYS  53           HG1      LYS  54 -16.823  -1.166   1.011
  429    HD2  LYS  53           HD2      LYS  54 -16.830  -3.382   3.014
  430    HD3  LYS  53           HD1      LYS  54 -17.023  -1.719   3.567
  431    HE2  LYS  53           HE2      LYS  54 -19.208  -2.539   3.254
  432    HE3  LYS  53           HE1      LYS  54 -18.885  -1.511   1.864
  433    HZ1  LYS  53           HZ1      LYS  54 -18.669  -4.472   1.877
  434    HZ2  LYS  53           HZ2      LYS  54 -18.463  -3.460   0.538
  435    HZ3  LYS  53           HZ3      LYS  54 -19.979  -3.595   1.268
  436    H    VAL  54           HN       VAL  55 -13.169  -3.782  -0.608
  437    HA   VAL  54           HA       VAL  55 -13.923  -6.235  -1.961
  438    HB   VAL  54           HB       VAL  55 -13.404  -4.113  -3.212
  439   HG11  VAL  54          HG11      VAL  55 -11.438  -3.473  -1.861
  440   HG12  VAL  54          HG12      VAL  55 -11.161  -3.434  -3.602
  441   HG13  VAL  54          HG13      VAL  55 -10.540  -4.775  -2.639
  442   HG21  VAL  54          HG21      VAL  55 -11.830  -6.545  -3.910
  443   HG22  VAL  54          HG22      VAL  55 -12.175  -5.226  -5.015
  444   HG23  VAL  54          HG23      VAL  55 -13.492  -6.207  -4.371
  445    H    THR  55           HN       THR  56 -11.326  -5.067   0.073
  446    HA   THR  55           HA       THR  56 -10.125  -7.726   0.072
  447    HB   THR  55           HB       THR  56  -8.973  -6.497  -1.744
  448    HG1  THR  55           HG1      THR  56  -7.712  -7.993  -0.667
  449   HG21  THR  55          HG21      THR  56  -8.330  -4.546   0.455
  450   HG22  THR  55          HG22      THR  56  -9.133  -4.228  -1.080
  451   HG23  THR  55          HG23      THR  56  -7.417  -4.634  -1.048
  452    H    ASN  56           HN       ASN  57  -8.697  -8.077   1.897
  453    HA   ASN  56           HA       ASN  57  -9.141  -6.132   4.070
  454    HB2  ASN  56           HB2      ASN  57  -8.249  -9.018   4.291
  455    HB3  ASN  56           HB1      ASN  57  -8.658  -7.946   5.624
  456   HD21  ASN  56          HD21      ASN  57  -9.829  -9.943   3.090
  457   HD22  ASN  56          HD22      ASN  57 -11.502  -9.921   3.556
  458    H    ARG  57           HN       ARG  58  -7.283  -5.808   5.569
  459    HA   ARG  57           HA       ARG  58  -5.083  -4.831   4.338
  460    HB2  ARG  57           HB2      ARG  58  -5.409  -4.276   6.627
  461    HB3  ARG  57           HB1      ARG  58  -5.289  -5.959   7.127
  462    HG2  ARG  57           HG2      ARG  58  -2.959  -6.020   6.655
  463    HG3  ARG  57           HG1      ARG  58  -3.018  -4.457   5.848
  464    HD2  ARG  57           HD2      ARG  58  -2.043  -4.141   7.993
  465    HD3  ARG  57           HD1      ARG  58  -3.659  -3.435   8.027
  466    HE   ARG  57           HE       ARG  58  -3.648  -6.129   8.966
  467   HH11  ARG  57          HH11      ARG  58  -2.984  -2.820   9.890
  468   HH12  ARG  57          HH12      ARG  58  -3.176  -3.119  11.587
  469   HH21  ARG  57          HH21      ARG  58  -3.892  -6.529  11.198
  470   HH22  ARG  57          HH22      ARG  58  -3.688  -5.230  12.330
  471    H    PHE  58           HN       PHE  59  -5.306  -8.164   5.660
  472    HA   PHE  58           HA       PHE  59  -2.500  -8.559   5.407
  473    HB2  PHE  58           HB2      PHE  59  -4.161  -9.824   6.912
  474    HB3  PHE  58           HB1      PHE  59  -4.528 -10.792   5.488
  475    HD1  PHE  58           HD1      PHE  59  -2.036 -11.327   4.232
  476    HD2  PHE  58           HD2      PHE  59  -2.894 -11.029   8.387
  477    HE1  PHE  58           HE1      PHE  59  -0.123 -12.799   4.729
  478    HE2  PHE  58           HE2      PHE  59  -0.981 -12.489   8.892
  479    HZ   PHE  58           HZ       PHE  59   0.408 -13.375   7.064
  480    H    GLU  59           HN       GLU  60  -5.220  -9.751   3.432
  481    HA   GLU  59           HA       GLU  60  -3.705 -11.271   1.658
  482    HB2  GLU  59           HB2      GLU  60  -5.669 -11.119   0.155
  483    HB3  GLU  59           HB1      GLU  60  -6.100 -11.515   1.813
  484    HG2  GLU  59           HG2      GLU  60  -6.730  -9.241   2.231
  485    HG3  GLU  59           HG1      GLU  60  -6.278  -8.797   0.591
  486    H    VAL  60           HN       VAL  61  -4.788  -7.920   1.410
  487    HA   VAL  60           HA       VAL  61  -3.554  -7.495  -1.131
  488    HB   VAL  60           HB       VAL  61  -5.555  -6.255  -0.366
  489   HG11  VAL  60          HG11      VAL  61  -4.680  -5.949   1.986
  490   HG12  VAL  60          HG12      VAL  61  -5.508  -4.580   1.255
  491   HG13  VAL  60          HG13      VAL  61  -3.746  -4.594   1.350
  492   HG21  VAL  60          HG21      VAL  61  -3.155  -4.618  -1.109
  493   HG22  VAL  60          HG22      VAL  61  -4.808  -4.009  -1.134
  494   HG23  VAL  60          HG23      VAL  61  -4.342  -5.341  -2.193
  495    H    GLU  61           HN       GLU  62  -2.678  -6.858   2.210
  496    HA   GLU  61           HA       GLU  62  -0.304  -5.442   1.915
  497    HB2  GLU  61           HB2      GLU  62  -1.371  -5.871   4.071
  498    HB3  GLU  61           HB1      GLU  62  -1.065  -7.585   3.907
  499    HG2  GLU  61           HG2      GLU  62   1.315  -5.886   3.837
  500    HG3  GLU  61           HG1      GLU  62   0.427  -5.884   5.350
  501    H    GLN  62           HN       GLN  63  -0.876  -8.931   1.907
  502    HA   GLN  62           HA       GLN  63   1.695  -9.836   1.433
  503    HB2  GLN  62           HB2      GLN  63  -0.143 -11.348   1.917
  504    HB3  GLN  62           HB1      GLN  63  -0.939 -10.910   0.412
  505    HG2  GLN  62           HG2      GLN  63   0.862 -11.920  -0.859
  506    HG3  GLN  62           HG1      GLN  63   1.708 -12.322   0.633
  507   HE21  GLN  62          HE21      GLN  63   1.674 -14.517   0.133
  508   HE22  GLN  62          HE22      GLN  63   0.233 -15.461   0.271
  509    H    ALA  63           HN       ALA  64  -0.793  -8.891  -0.928
  510    HA   ALA  63           HA       ALA  64   0.782  -9.297  -3.221
  511    HB1  ALA  63           HB1      ALA  64  -1.461  -7.314  -2.855
  512    HB2  ALA  63           HB2      ALA  64  -1.661  -9.019  -3.257
  513    HB3  ALA  63           HB3      ALA  64  -0.847  -7.937  -4.387
  514    H    ILE  64           HN       ILE  65   0.406  -6.472  -1.117
  515    HA   ILE  64           HA       ILE  65   1.863  -4.654  -2.680
  516    HB   ILE  64           HB       ILE  65   1.019  -4.746   0.160
  517   HG12  ILE  64          HG12      ILE  65   0.763  -2.184  -0.952
  518   HG13  ILE  64          HG11      ILE  65   0.429  -3.302  -2.266
  519   HG21  ILE  64          HG21      ILE  65   3.350  -4.112   0.422
  520   HG22  ILE  64          HG22      ILE  65   2.291  -2.739   0.745
  521   HG23  ILE  64          HG23      ILE  65   3.157  -2.843  -0.788
  522   HD11  ILE  64          HD11      ILE  65  -1.292  -4.365  -0.971
  523   HD12  ILE  64          HD12      ILE  65  -1.586  -2.629  -1.078
  524   HD13  ILE  64          HD13      ILE  65  -0.933  -3.323   0.406
  525    H    ARG  65           HN       ARG  66   2.987  -6.756   0.007
  526    HA   ARG  65           HA       ARG  66   5.664  -5.859  -0.206
  527    HB2  ARG  65           HB2      ARG  66   6.200  -8.076   0.971
  528    HB3  ARG  65           HB1      ARG  66   5.283  -6.858   1.843
  529    HG2  ARG  65           HG2      ARG  66   3.879  -8.505   2.332
  530    HG3  ARG  65           HG1      ARG  66   3.351  -8.421   0.651
  531    HD2  ARG  65           HD2      ARG  66   4.741 -10.201   0.009
  532    HD3  ARG  65           HD1      ARG  66   5.706 -10.089   1.483
  533    HE   ARG  65           HE       ARG  66   3.116 -10.657   2.276
  534   HH11  ARG  65          HH11      ARG  66   5.594 -12.221   0.350
  535   HH12  ARG  65          HH12      ARG  66   5.096 -13.823   0.799
  536   HH21  ARG  65          HH21      ARG  66   2.473 -12.752   2.864
  537   HH22  ARG  65          HH22      ARG  66   3.326 -14.128   2.234
  538    H    GLN  66           HN       GLN  67   3.924  -8.471  -1.752
  539    HA   GLN  66           HA       GLN  67   6.144  -9.714  -2.962
  540    HB2  GLN  66           HB2      GLN  67   3.257  -9.560  -3.798
  541    HB3  GLN  66           HB1      GLN  67   4.450 -10.585  -4.595
  542    HG2  GLN  66           HG2      GLN  67   4.826 -11.814  -2.564
  543    HG3  GLN  66           HG1      GLN  67   3.770 -10.729  -1.675
  544   HE21  GLN  66          HE21      GLN  67   3.613 -13.618  -2.032
  545   HE22  GLN  66          HE22      GLN  67   2.059 -13.927  -2.730
  546    H    ALA  67           HN       ALA  68   4.302  -6.880  -3.820
  547    HA   ALA  67           HA       ALA  68   5.399  -6.541  -6.425
  548    HB1  ALA  67           HB1      ALA  68   4.074  -4.672  -4.486
  549    HB2  ALA  67           HB2      ALA  68   3.403  -5.376  -5.956
  550    HB3  ALA  67           HB3      ALA  68   4.656  -4.138  -6.061
  551    H    LEU  68           HN       LEU  69   6.554  -6.003  -3.237
  552    HA   LEU  68           HA       LEU  69   8.780  -4.328  -4.112
  553    HB2  LEU  68           HB2      LEU  69   7.893  -5.346  -1.414
  554    HB3  LEU  68           HB1      LEU  69   9.387  -4.458  -1.652
  555    HG   LEU  68           HG       LEU  69   6.743  -3.293  -2.484
  556   HD11  LEU  68          HD11      LEU  69   6.549  -3.896  -0.121
  557   HD12  LEU  68          HD12      LEU  69   6.658  -2.149  -0.327
  558   HD13  LEU  68          HD13      LEU  69   8.064  -3.061   0.219
  559   HD21  LEU  68          HD21      LEU  69   9.148  -2.450  -3.110
  560   HD22  LEU  68          HD22      LEU  69   9.109  -1.789  -1.476
  561   HD23  LEU  68          HD23      LEU  69   7.884  -1.310  -2.651
  562    H    GLU  69           HN       GLU  70   8.032  -7.563  -3.109
  563    HA   GLU  69           HA       GLU  70  10.826  -8.387  -3.076
  564    HB2  GLU  69           HB2      GLU  70   8.275  -9.922  -2.504
  565    HB3  GLU  69           HB1      GLU  70   9.906 -10.541  -2.284
  566    HG2  GLU  69           HG2      GLU  70   8.783  -8.164  -0.830
  567    HG3  GLU  69           HG1      GLU  70   8.776  -9.807  -0.200
  Start of MODEL    8
    1    H1   MET   0           HT1      MET   1  -7.203  19.589  -0.586
    2    H2   MET   0           HT2      MET   1  -6.601  18.021  -0.761
    3    H3   MET   0           HT3      MET   1  -6.746  18.700   0.776
    4    HA   MET   0           HA       MET   1  -9.130  18.758   0.577
    5    HB2  MET   0           HB2      MET   1  -8.571  17.463  -2.094
    6    HB3  MET   0           HB1      MET   1 -10.155  17.489  -1.335
    7    HG2  MET   0           HG2      MET   1 -10.180  19.912  -1.421
    8    HG3  MET   0           HG1      MET   1  -8.566  19.918  -2.126
    9    HE1  MET   0           HE1      MET   1  -9.177  18.307  -5.628
   10    HE2  MET   0           HE2      MET   1  -8.702  17.463  -4.154
   11    HE3  MET   0           HE3      MET   1  -7.997  19.034  -4.538
   12    H    GLY   1           HN       GLY   2  -9.180  17.472   2.312
   13    HA2  GLY   1           HA2      GLY   2  -8.074  14.806   2.268
   14    HA3  GLY   1           HA1      GLY   2  -8.887  15.582   3.619
   15    H    LYS   2           HN       LYS   3  -9.736  14.559   0.318
   16    HA   LYS   2           HA       LYS   3 -12.389  13.796   1.173
   17    HB2  LYS   2           HB2      LYS   3 -12.666  13.101  -1.215
   18    HB3  LYS   2           HB1      LYS   3 -12.210  14.785  -1.006
   19    HG2  LYS   2           HG2      LYS   3 -10.029  14.413  -1.763
   20    HG3  LYS   2           HG1      LYS   3 -10.158  12.667  -1.550
   21    HD2  LYS   2           HD2      LYS   3 -11.717  14.285  -3.564
   22    HD3  LYS   2           HD1      LYS   3 -10.255  13.369  -3.922
   23    HE2  LYS   2           HE2      LYS   3 -12.894  12.272  -2.964
   24    HE3  LYS   2           HE1      LYS   3 -12.185  12.076  -4.563
   25    HZ1  LYS   2           HZ1      LYS   3 -11.853  10.102  -3.245
   26    HZ2  LYS   2           HZ2      LYS   3 -11.094  10.985  -2.023
   27    HZ3  LYS   2           HZ3      LYS   3 -10.360  10.835  -3.541
   28    H    GLU   3           HN       GLU   4 -11.037  12.339   2.734
   29    HA   GLU   3           HA       GLU   4 -10.261   9.797   1.572
   30    HB2  GLU   3           HB2      GLU   4  -8.973  10.819   3.432
   31    HB3  GLU   3           HB1      GLU   4 -10.385  10.659   4.468
   32    HG2  GLU   3           HG2      GLU   4 -10.286   8.185   4.018
   33    HG3  GLU   3           HG1      GLU   4  -8.715   8.473   3.274
   34    HA   PRO   4           HA       PRO   5 -14.511   8.325   2.100
   35    HB2  PRO   4           HB2      PRO   5 -13.292   5.822   1.103
   36    HB3  PRO   4           HB1      PRO   5 -14.659   6.733   0.459
   37    HG2  PRO   4           HG2      PRO   5 -12.306   6.704  -0.803
   38    HG3  PRO   4           HG1      PRO   5 -13.304   8.170  -0.751
   39    HD2  PRO   4           HD2      PRO   5 -10.892   7.463   0.876
   40    HD3  PRO   4           HD1      PRO   5 -11.319   9.010   0.112
   41    HA   PRO   5           HA       PRO   6 -13.937   5.965   5.841
   42    HB2  PRO   5           HB2      PRO   6 -16.549   4.807   5.711
   43    HB3  PRO   5           HB1      PRO   6 -16.031   6.202   6.654
   44    HG2  PRO   5           HG2      PRO   6 -17.788   6.287   4.518
   45    HG3  PRO   5           HG1      PRO   6 -16.885   7.669   5.150
   46    HD2  PRO   5           HD2      PRO   6 -16.344   5.984   2.752
   47    HD3  PRO   5           HD1      PRO   6 -16.066   7.720   3.005
   48    H    TYR   6           HN       TYR   7 -13.916   4.675   2.913
   49    HA   TYR   6           HA       TYR   7 -14.339   1.886   3.633
   50    HB2  TYR   6           HB2      TYR   7 -13.543   3.096   0.979
   51    HB3  TYR   6           HB1      TYR   7 -14.061   1.440   1.253
   52    HD1  TYR   6           HD2      TYR   7 -16.455   1.435   2.647
   53    HD2  TYR   6           HD1      TYR   7 -15.096   4.414  -0.068
   54    HE1  TYR   6           HE2      TYR   7 -18.780   2.114   2.233
   55    HE2  TYR   6           HE1      TYR   7 -17.418   5.100  -0.486
   56    HH   TYR   6           HH       TYR   7 -19.981   4.204   1.452
   57    H    VAL   7           HN       VAL   8 -11.839   4.131   3.594
   58    HA   VAL   7           HA       VAL   8  -9.786   2.381   2.623
   59    HB   VAL   7           HB       VAL   8  -8.240   4.186   3.168
   60   HG11  VAL   7          HG11      VAL   8  -9.381   4.211   1.027
   61   HG12  VAL   7          HG12      VAL   8  -9.117   5.856   1.607
   62   HG13  VAL   7          HG13      VAL   8 -10.715   5.120   1.733
   63   HG21  VAL   7          HG21      VAL   8  -9.308   5.006   5.199
   64   HG22  VAL   7          HG22      VAL   8 -10.653   5.626   4.242
   65   HG23  VAL   7          HG23      VAL   8  -9.042   6.313   4.044
   66    H    SER   8           HN       SER   9  -8.121   1.506   3.742
   67    HA   SER   8           HA       SER   9  -8.044   1.842   6.653
   68    HB2  SER   8           HB2      SER   9  -9.035  -0.398   6.041
   69    HB3  SER   8           HB1      SER   9  -7.520  -0.783   5.226
   70    HG   SER   8           HG       SER   9  -7.826  -0.156   7.980
   71    H    SER   9           HN       SER  10  -6.054   2.483   7.312
   72    HA   SER   9           HA       SER  10  -4.031   2.761   5.245
   73    HB2  SER   9           HB2      SER  10  -4.033   3.805   8.087
   74    HB3  SER   9           HB1      SER  10  -2.916   4.271   6.803
   75    HG   SER   9           HG       SER  10  -5.683   4.818   7.032
   76    H    LEU  10           HN       LEU  11  -2.754   1.087   4.918
   77    HA   LEU  10           HA       LEU  11  -1.974  -0.641   7.144
   78    HB2  LEU  10           HB2      LEU  11  -1.144  -1.041   4.293
   79    HB3  LEU  10           HB1      LEU  11  -1.360  -2.244   5.547
   80    HG   LEU  10           HG       LEU  11  -3.492  -0.824   3.962
   81   HD11  LEU  10          HD11      LEU  11  -2.723  -3.721   4.251
   82   HD12  LEU  10          HD12      LEU  11  -2.462  -2.691   2.843
   83   HD13  LEU  10          HD13      LEU  11  -4.102  -3.116   3.331
   84   HD21  LEU  10          HD21      LEU  11  -3.859  -2.642   6.340
   85   HD22  LEU  10          HD22      LEU  11  -5.141  -2.079   5.271
   86   HD23  LEU  10          HD23      LEU  11  -4.253  -0.925   6.266
   87    H    ARG  11           HN       ARG  12   0.006  -0.551   8.048
   88    HA   ARG  11           HA       ARG  12   1.977   1.253   6.863
   89    HB2  ARG  11           HB2      ARG  12   1.433   1.554   9.240
   90    HB3  ARG  11           HB1      ARG  12   1.933  -0.097   9.572
   91    HG2  ARG  11           HG2      ARG  12   4.212   0.495   8.810
   92    HG3  ARG  11           HG1      ARG  12   3.676   2.173   8.672
   93    HD2  ARG  11           HD2      ARG  12   3.468   0.548  11.193
   94    HD3  ARG  11           HD1      ARG  12   4.821   1.599  10.818
   95    HE   ARG  11           HE       ARG  12   3.133   3.443  10.736
   96   HH11  ARG  11          HH11      ARG  12   2.515   0.547  12.609
   97   HH12  ARG  11          HH12      ARG  12   1.469   1.351  13.732
   98   HH21  ARG  11          HH21      ARG  12   1.764   4.493  12.195
   99   HH22  ARG  11          HH22      ARG  12   1.035   3.606  13.497
  100    H    ILE  12           HN       ILE  13   3.287   0.326   5.426
  101    HA   ILE  12           HA       ILE  13   4.110  -2.470   5.824
  102    HB   ILE  12           HB       ILE  13   4.924  -1.119   3.335
  103   HG12  ILE  12          HG12      ILE  13   2.654  -0.156   3.657
  104   HG13  ILE  12          HG11      ILE  13   2.762  -1.208   2.253
  105   HG21  ILE  12          HG21      ILE  13   3.573  -3.740   3.933
  106   HG22  ILE  12          HG22      ILE  13   5.309  -3.480   3.754
  107   HG23  ILE  12          HG23      ILE  13   4.238  -3.257   2.372
  108   HD11  ILE  12          HD11      ILE  13   1.686  -3.007   3.529
  109   HD12  ILE  12          HD12      ILE  13   0.682  -1.563   3.440
  110   HD13  ILE  12          HD13      ILE  13   1.565  -1.933   4.921
  111    H    GLU  13           HN       GLU  14   6.223  -3.007   6.126
  112    HA   GLU  13           HA       GLU  14   8.155  -0.919   6.579
  113    HB2  GLU  13           HB2      GLU  14   8.330  -3.931   6.637
  114    HB3  GLU  13           HB1      GLU  14   9.745  -2.912   6.838
  115    HG2  GLU  13           HG2      GLU  14   8.980  -3.581   8.988
  116    HG3  GLU  13           HG1      GLU  14   8.652  -1.864   8.795
  117    H    ILE  14           HN       ILE  15   9.313   0.019   5.019
  118    HA   ILE  14           HA       ILE  15   9.206  -1.058   2.349
  119    HB   ILE  14           HB       ILE  15  10.506   1.427   3.453
  120   HG12  ILE  14          HG12      ILE  15   8.040   1.100   1.739
  121   HG13  ILE  14          HG11      ILE  15   7.996   1.256   3.486
  122   HG21  ILE  14          HG21      ILE  15  11.393   0.273   1.237
  123   HG22  ILE  14          HG22      ILE  15  11.222   2.028   1.365
  124   HG23  ILE  14          HG23      ILE  15   9.979   1.080   0.548
  125   HD11  ILE  14          HD11      ILE  15   9.212   3.304   1.682
  126   HD12  ILE  14          HD12      ILE  15   8.840   3.467   3.389
  127   HD13  ILE  14          HD13      ILE  15   7.536   3.347   2.207
  128    HA   PRO  15           HA       PRO  16  13.101  -3.223   2.435
  129    HB2  PRO  15           HB2      PRO  16  13.214  -2.749  -0.443
  130    HB3  PRO  15           HB1      PRO  16  13.057  -4.267   0.425
  131    HG2  PRO  15           HG2      PRO  16  11.058  -3.113  -1.036
  132    HG3  PRO  15           HG1      PRO  16  10.790  -4.254   0.284
  133    HD2  PRO  15           HD2      PRO  16  10.406  -1.332   0.209
  134    HD3  PRO  15           HD1      PRO  16   9.623  -2.546   1.223
  135    H    ALA  16           HN       ALA  17  15.287  -2.714   2.235
  136    HA   ALA  16           HA       ALA  17  15.934   0.079   2.120
  137    HB1  ALA  16           HB1      ALA  17  17.782  -2.294   2.266
  138    HB2  ALA  16           HB2      ALA  17  17.061  -1.484   3.653
  139    HB3  ALA  16           HB3      ALA  17  18.195  -0.619   2.616
  140    H    ASP  17           HN       ASP  18  15.963  -2.571  -0.081
  141    HA   ASP  17           HA       ASP  18  17.726  -1.322  -1.993
  142    HB2  ASP  17           HB2      ASP  18  17.695  -3.735  -1.874
  143    HB3  ASP  17           HB1      ASP  18  15.959  -3.769  -2.159
  144    H    ILE  18           HN       ILE  19  14.304  -1.513  -1.403
  145    HA   ILE  18           HA       ILE  19  13.621  -0.324  -3.954
  146    HB   ILE  18           HB       ILE  19  12.012  -1.244  -1.584
  147   HG12  ILE  18          HG12      ILE  19  10.914  -2.683  -3.188
  148   HG13  ILE  18          HG11      ILE  19  11.741  -1.903  -4.522
  149   HG21  ILE  18          HG21      ILE  19  11.043   0.892  -2.221
  150   HG22  ILE  18          HG22      ILE  19   9.969  -0.439  -2.654
  151   HG23  ILE  18          HG23      ILE  19  10.933   0.357  -3.898
  152   HD11  ILE  18          HD11      ILE  19  13.187  -3.402  -2.373
  153   HD12  ILE  18          HD12      ILE  19  13.798  -2.893  -3.944
  154   HD13  ILE  18          HD13      ILE  19  12.584  -4.167  -3.839
  155    H    ALA  19           HN       ALA  20  13.311   1.838  -4.285
  156    HA   ALA  19           HA       ALA  20  14.078   3.644  -2.189
  157    HB1  ALA  19           HB1      ALA  20  13.516   5.411  -3.900
  158    HB2  ALA  19           HB2      ALA  20  13.172   4.085  -5.020
  159    HB3  ALA  19           HB3      ALA  20  14.793   4.272  -4.345
  160    H    ALA  20           HN       ALA  21  12.838   4.764  -0.868
  161    HA   ALA  20           HA       ALA  21   9.983   4.337  -0.878
  162    HB1  ALA  20           HB1      ALA  21  10.103   5.749   1.193
  163    HB2  ALA  20           HB2      ALA  21  11.847   5.814   0.966
  164    HB3  ALA  20           HB3      ALA  21  11.050   4.266   1.241
  165    H    ASN  21           HN       ASN  22   9.204   5.429  -2.675
  166    HA   ASN  21           HA       ASN  22   8.758   8.228  -2.378
  167    HB2  ASN  21           HB2      ASN  22   9.944   9.069  -4.280
  168    HB3  ASN  21           HB1      ASN  22  11.102   8.139  -3.347
  169   HD21  ASN  21          HD21      ASN  22  11.801   6.148  -4.147
  170   HD22  ASN  21          HD22      ASN  22  11.655   5.747  -5.824
  171    H    GLU  22           HN       GLU  23   7.996   8.852  -5.002
  172    HA   GLU  22           HA       GLU  23   5.460   7.730  -5.161
  173    HB2  GLU  22           HB2      GLU  23   6.125   9.841  -6.252
  174    HB3  GLU  22           HB1      GLU  23   7.066   8.930  -7.425
  175    HG2  GLU  22           HG2      GLU  23   4.949   7.787  -8.105
  176    HG3  GLU  22           HG1      GLU  23   4.082   8.913  -7.064
  177    H    ALA  23           HN       ALA  24   8.474   6.577  -6.527
  178    HA   ALA  23           HA       ALA  24   7.483   4.762  -8.418
  179    HB1  ALA  23           HB1      ALA  24   9.846   5.381  -8.253
  180    HB2  ALA  23           HB2      ALA  24   9.633   3.632  -8.216
  181    HB3  ALA  23           HB3      ALA  24   9.967   4.511  -6.724
  182    H    LEU  24           HN       LEU  25   8.107   4.371  -4.951
  183    HA   LEU  24           HA       LEU  25   7.308   1.660  -4.791
  184    HB2  LEU  24           HB2      LEU  25   8.625   2.785  -3.038
  185    HB3  LEU  24           HB1      LEU  25   7.258   3.813  -2.670
  186    HG   LEU  24           HG       LEU  25   6.808   0.884  -2.477
  187   HD11  LEU  24          HD11      LEU  25   8.371   2.432  -0.418
  188   HD12  LEU  24          HD12      LEU  25   9.024   1.174  -1.466
  189   HD13  LEU  24          HD13      LEU  25   7.797   0.771  -0.268
  190   HD21  LEU  24          HD21      LEU  25   6.017   3.260  -0.795
  191   HD22  LEU  24          HD22      LEU  25   5.498   1.596  -0.524
  192   HD23  LEU  24          HD23      LEU  25   5.012   2.445  -1.993
  193    H    LYS  25           HN       LYS  26   5.657   4.725  -4.517
  194    HA   LYS  25           HA       LYS  26   3.166   3.826  -3.641
  195    HB2  LYS  25           HB2      LYS  26   3.677   6.162  -3.601
  196    HB3  LYS  25           HB1      LYS  26   3.954   6.195  -5.329
  197    HG2  LYS  25           HG2      LYS  26   1.539   5.617  -5.632
  198    HG3  LYS  25           HG1      LYS  26   1.339   5.855  -3.901
  199    HD2  LYS  25           HD2      LYS  26   2.174   8.159  -4.149
  200    HD3  LYS  25           HD1      LYS  26   2.259   7.909  -5.894
  201    HE2  LYS  25           HE2      LYS  26  -0.111   7.535  -6.016
  202    HE3  LYS  25           HE1      LYS  26  -0.252   7.589  -4.265
  203    HZ1  LYS  25           HZ1      LYS  26   0.384   9.906  -4.293
  204    HZ2  LYS  25           HZ2      LYS  26  -0.944   9.668  -5.314
  205    HZ3  LYS  25           HZ3      LYS  26   0.599   9.865  -5.972
  206    H    VAL  26           HN       VAL  27   4.318   4.434  -6.962
  207    HA   VAL  26           HA       VAL  27   1.864   3.733  -8.166
  208    HB   VAL  26           HB       VAL  27   3.040   3.694 -10.300
  209   HG11  VAL  26          HG11      VAL  27   3.887   5.949  -8.495
  210   HG12  VAL  26          HG12      VAL  27   2.371   5.833  -9.391
  211   HG13  VAL  26          HG13      VAL  27   3.900   5.996 -10.259
  212   HG21  VAL  26          HG21      VAL  27   5.089   2.593  -9.704
  213   HG22  VAL  26          HG22      VAL  27   5.544   3.925  -8.642
  214   HG23  VAL  26          HG23      VAL  27   5.466   4.174 -10.387
  215    H    ARG  27           HN       ARG  28   4.725   1.781  -7.401
  216    HA   ARG  27           HA       ARG  28   3.872  -0.477  -8.892
  217    HB2  ARG  27           HB2      ARG  28   5.532  -1.760  -7.720
  218    HB3  ARG  27           HB1      ARG  28   6.208  -0.181  -8.082
  219    HG2  ARG  27           HG2      ARG  28   6.024   0.516  -5.838
  220    HG3  ARG  27           HG1      ARG  28   5.003  -0.857  -5.420
  221    HD2  ARG  27           HD2      ARG  28   7.219  -1.243  -4.576
  222    HD3  ARG  27           HD1      ARG  28   6.901  -2.366  -5.895
  223    HE   ARG  27           HE       ARG  28   8.374   0.112  -6.453
  224   HH11  ARG  27          HH11      ARG  28   8.329  -3.387  -6.218
  225   HH12  ARG  27          HH12      ARG  28   9.890  -3.574  -6.951
  226   HH21  ARG  27          HH21      ARG  28  10.436  -0.152  -7.412
  227   HH22  ARG  27          HH22      ARG  28  11.081  -1.750  -7.627
  228    H    LEU  28           HN       LEU  29   3.327   0.525  -5.542
  229    HA   LEU  28           HA       LEU  29   1.875  -1.834  -4.864
  230    HB2  LEU  28           HB2      LEU  29   2.005   0.845  -3.488
  231    HB3  LEU  28           HB1      LEU  29   1.297  -0.607  -2.809
  232    HG   LEU  28           HG       LEU  29   4.195  -0.071  -3.397
  233   HD11  LEU  28          HD11      LEU  29   3.454   0.815  -1.308
  234   HD12  LEU  28          HD12      LEU  29   4.432  -0.620  -0.999
  235   HD13  LEU  28          HD13      LEU  29   2.674  -0.708  -0.886
  236   HD21  LEU  28          HD21      LEU  29   2.772  -2.634  -2.995
  237   HD22  LEU  28          HD22      LEU  29   4.397  -2.444  -2.348
  238   HD23  LEU  28          HD23      LEU  29   4.103  -2.252  -4.078
  239    H    LEU  29           HN       LEU  30   1.042   1.312  -6.159
  240    HA   LEU  29           HA       LEU  30  -1.716   1.292  -5.730
  241    HB2  LEU  29           HB2      LEU  30   0.074   2.551  -7.754
  242    HB3  LEU  29           HB1      LEU  30  -1.655   2.603  -8.019
  243    HG   LEU  29           HG       LEU  30  -0.268   3.672  -5.562
  244   HD11  LEU  29          HD11      LEU  30   0.391   5.140  -7.215
  245   HD12  LEU  29          HD12      LEU  30  -1.099   5.875  -6.626
  246   HD13  LEU  29          HD13      LEU  30  -1.105   4.952  -8.129
  247   HD21  LEU  29          HD21      LEU  30  -2.304   3.661  -4.678
  248   HD22  LEU  29          HD22      LEU  30  -3.031   3.141  -6.198
  249   HD23  LEU  29          HD23      LEU  30  -2.764   4.857  -5.887
  250    H    GLU  30           HN       GLU  31   0.211  -0.619  -7.859
  251    HA   GLU  30           HA       GLU  31  -2.004  -1.404  -9.545
  252    HB2  GLU  30           HB2      GLU  31   0.803  -2.498  -9.362
  253    HB3  GLU  30           HB1      GLU  31  -0.367  -2.870 -10.621
  254    HG2  GLU  30           HG2      GLU  31   0.773  -0.148 -10.051
  255    HG3  GLU  30           HG1      GLU  31   1.292  -1.228 -11.339
  256    H    THR  31           HN       THR  32  -1.687  -2.003  -6.499
  257    HA   THR  31           HA       THR  32  -2.019  -4.909  -6.611
  258    HB   THR  31           HB       THR  32  -1.823  -3.104  -4.193
  259    HG1  THR  31           HG1      THR  32   0.143  -3.026  -5.167
  260   HG21  THR  31          HG21      THR  32  -2.694  -4.996  -3.266
  261   HG22  THR  31          HG22      THR  32  -0.999  -5.475  -3.308
  262   HG23  THR  31          HG23      THR  32  -2.104  -6.031  -4.564
  263    H    GLU  32           HN       GLU  33  -3.929  -5.892  -6.105
  264    HA   GLU  32           HA       GLU  33  -6.253  -4.442  -6.745
  265    HB2  GLU  32           HB2      GLU  33  -6.087  -6.771  -7.315
  266    HB3  GLU  32           HB1      GLU  33  -5.900  -7.220  -5.625
  267    HG2  GLU  32           HG2      GLU  33  -8.157  -6.606  -5.142
  268    HG3  GLU  32           HG1      GLU  33  -8.363  -5.914  -6.750
  269    H    GLY  33           HN       GLY  34  -7.339  -3.109  -5.528
  270    HA2  GLY  33           HA2      GLY  34  -8.880  -2.828  -3.712
  271    HA3  GLY  33           HA1      GLY  34  -7.837  -3.837  -2.724
  272    H    VAL  34           HN       VAL  35  -5.862  -1.806  -4.454
  273    HA   VAL  34           HA       VAL  35  -5.422  -0.177  -2.114
  274    HB   VAL  34           HB       VAL  35  -3.983  -0.228  -4.764
  275   HG11  VAL  34          HG11      VAL  35  -2.310   1.211  -3.691
  276   HG12  VAL  34          HG12      VAL  35  -3.358   1.370  -2.282
  277   HG13  VAL  34          HG13      VAL  35  -3.869   2.021  -3.840
  278   HG21  VAL  34          HG21      VAL  35  -3.794  -2.147  -3.148
  279   HG22  VAL  34          HG22      VAL  35  -3.018  -1.028  -2.032
  280   HG23  VAL  34          HG23      VAL  35  -2.277  -1.372  -3.596
  281    H    LYS  35           HN       LYS  36  -6.147   1.817  -1.781
  282    HA   LYS  35           HA       LYS  36  -7.543   3.206  -3.944
  283    HB2  LYS  35           HB2      LYS  36  -7.394   3.751  -0.977
  284    HB3  LYS  35           HB1      LYS  36  -8.278   4.750  -2.120
  285    HG2  LYS  35           HG2      LYS  36  -8.818   1.845  -1.536
  286    HG3  LYS  35           HG1      LYS  36  -9.752   3.216  -0.937
  287    HD2  LYS  35           HD2      LYS  36  -9.372   2.500  -3.833
  288    HD3  LYS  35           HD1      LYS  36 -10.806   2.139  -2.883
  289    HE2  LYS  35           HE2      LYS  36 -11.090   4.578  -2.489
  290    HE3  LYS  35           HE1      LYS  36  -9.729   4.869  -3.571
  291    HZ1  LYS  35           HZ1      LYS  36 -10.962   3.827  -5.358
  292    HZ2  LYS  35           HZ2      LYS  36 -11.848   5.111  -4.708
  293    HZ3  LYS  35           HZ3      LYS  36 -12.262   3.519  -4.324
  294    H    GLU  36           HN       GLU  37  -4.871   3.570  -1.684
  295    HA   GLU  36           HA       GLU  37  -3.492   5.393  -3.378
  296    HB2  GLU  36           HB2      GLU  37  -5.101   6.967  -2.503
  297    HB3  GLU  36           HB1      GLU  37  -4.770   6.460  -0.854
  298    HG2  GLU  36           HG2      GLU  37  -2.567   7.385  -0.967
  299    HG3  GLU  36           HG1      GLU  37  -2.775   7.783  -2.673
  300    H    VAL  37           HN       VAL  38  -1.356   5.536  -2.829
  301    HA   VAL  37           HA       VAL  38  -0.532   3.988  -0.456
  302    HB   VAL  37           HB       VAL  38   0.962   4.291  -3.065
  303   HG11  VAL  37          HG11      VAL  38   2.465   4.107  -1.177
  304   HG12  VAL  37          HG12      VAL  38   2.495   2.622  -2.126
  305   HG13  VAL  37          HG13      VAL  38   1.606   2.680  -0.606
  306   HG21  VAL  37          HG21      VAL  38  -0.321   1.824  -1.936
  307   HG22  VAL  37          HG22      VAL  38   0.435   2.016  -3.515
  308   HG23  VAL  37          HG23      VAL  38  -1.073   2.851  -3.151
  309    H    LEU  38           HN       LEU  39   0.459   5.132   1.053
  310    HA   LEU  38           HA       LEU  39   1.676   7.713   0.358
  311    HB2  LEU  38           HB2      LEU  39   0.663   6.541   2.923
  312    HB3  LEU  38           HB1      LEU  39   1.704   7.946   2.912
  313    HG   LEU  38           HG       LEU  39  -0.046   9.078   1.468
  314   HD11  LEU  38          HD11      LEU  39  -1.212   6.999   0.784
  315   HD12  LEU  38          HD12      LEU  39  -2.288   8.199   1.499
  316   HD13  LEU  38          HD13      LEU  39  -1.769   6.804   2.446
  317   HD21  LEU  38          HD21      LEU  39   0.364   9.116   4.043
  318   HD22  LEU  38          HD22      LEU  39  -1.216   8.330   4.099
  319   HD23  LEU  38          HD23      LEU  39  -1.044   9.918   3.346
  320    H    ILE  39           HN       ILE  40   3.811   8.112   0.706
  321    HA   ILE  39           HA       ILE  40   5.395   5.933   1.890
  322    HB   ILE  39           HB       ILE  40   6.137   8.070  -0.093
  323   HG12  ILE  39          HG12      ILE  40   7.181   6.157  -1.274
  324   HG13  ILE  39          HG11      ILE  40   6.633   5.083   0.003
  325   HG21  ILE  39          HG21      ILE  40   7.895   6.751   1.919
  326   HG22  ILE  39          HG22      ILE  40   7.926   8.406   1.299
  327   HG23  ILE  39          HG23      ILE  40   8.535   7.082   0.304
  328   HD11  ILE  39          HD11      ILE  40   4.412   5.276  -0.643
  329   HD12  ILE  39          HD12      ILE  40   5.299   5.167  -2.161
  330   HD13  ILE  39          HD13      ILE  40   4.711   6.730  -1.593
  331    H    ALA  40           HN       ALA  41   6.210   6.245   3.838
  332    HA   ALA  40           HA       ALA  41   6.626   9.004   4.787
  333    HB1  ALA  40           HB1      ALA  41   6.196   6.538   6.463
  334    HB2  ALA  40           HB2      ALA  41   4.923   7.690   6.046
  335    HB3  ALA  40           HB3      ALA  41   6.293   8.205   7.034
  336    H    GLU  41           HN       GLU  42   8.749   9.211   4.035
  337    HA   GLU  41           HA       GLU  42  10.677   7.135   4.330
  338    HB2  GLU  41           HB2      GLU  42  10.538   9.641   3.021
  339    HB3  GLU  41           HB1      GLU  42  11.944   9.688   4.075
  340    HG2  GLU  41           HG2      GLU  42  11.360   7.609   1.979
  341    HG3  GLU  41           HG1      GLU  42  12.550   8.904   1.867
  342    H    GLU  42           HN       GLU  43   9.478   9.566   6.409
  343    HA   GLU  42           HA       GLU  43  11.598   9.859   8.225
  344    HB2  GLU  42           HB2      GLU  43   8.660   9.719   8.926
  345    HB3  GLU  42           HB1      GLU  43   9.927  10.541   9.824
  346    HG2  GLU  42           HG2      GLU  43  10.180  12.168   8.092
  347    HG3  GLU  42           HG1      GLU  43   9.049  11.301   7.053
  348    H    GLU  43           HN       GLU  44   9.101   7.427   7.877
  349    HA   GLU  43           HA       GLU  44  10.210   5.873  10.107
  350    HB2  GLU  43           HB2      GLU  44   7.587   5.611   8.619
  351    HB3  GLU  43           HB1      GLU  44   8.085   4.603   9.966
  352    HG2  GLU  43           HG2      GLU  44   7.585   7.568  10.057
  353    HG3  GLU  43           HG1      GLU  44   6.519   6.309  10.679
  354    H    HIS  44           HN       HIS  45  10.562   6.182   6.901
  355    HA   HIS  44           HA       HIS  45  10.972   4.914   5.073
  356    HB2  HIS  44           HB2      HIS  45  12.967   4.427   6.551
  357    HB3  HIS  44           HB1      HIS  45  12.158   2.941   7.031
  358    HD1  HIS  44           HD1      HIS  45  13.099   4.600   3.720
  359    HD2  HIS  44           HD2      HIS  45  12.972   0.853   5.538
  360    HE1  HIS  44           HE1      HIS  45  13.994   2.976   2.014
  361    HE2  HIS  44           HE2      HIS  45  13.780   0.708   3.085
  362    H    SER  45           HN       SER  46   8.413   4.686   5.950
  363    HA   SER  45           HA       SER  46   7.775   1.926   5.240
  364    HB2  SER  45           HB2      SER  46   6.489   3.374   7.569
  365    HB3  SER  45           HB1      SER  46   6.124   1.738   7.025
  366    HG   SER  45           HG       SER  46   8.770   2.383   7.693
  367    H    ALA  46           HN       ALA  47   5.560   1.649   4.546
  368    HA   ALA  46           HA       ALA  47   4.574   4.078   3.193
  369    HB1  ALA  46           HB1      ALA  47   5.336   2.172   1.772
  370    HB2  ALA  46           HB2      ALA  47   3.661   2.643   1.509
  371    HB3  ALA  46           HB3      ALA  47   4.036   1.204   2.457
  372    H    TYR  47           HN       TYR  48   2.478   4.740   3.519
  373    HA   TYR  47           HA       TYR  48   0.774   2.933   5.094
  374    HB2  TYR  47           HB2      TYR  48   0.698   5.925   4.717
  375    HB3  TYR  47           HB1      TYR  48  -0.679   5.031   5.352
  376    HD1  TYR  47           HD2      TYR  48   2.814   6.019   6.000
  377    HD2  TYR  47           HD1      TYR  48  -0.682   4.181   7.577
  378    HE1  TYR  47           HE2      TYR  48   3.795   6.097   8.255
  379    HE2  TYR  47           HE1      TYR  48   0.288   4.254   9.832
  380    HH   TYR  47           HH       TYR  48   3.059   6.082  10.585
  381    H    VAL  48           HN       VAL  49  -0.228   1.659   3.744
  382    HA   VAL  48           HA       VAL  49  -1.164   2.702   1.177
  383    HB   VAL  48           HB       VAL  49  -1.202  -0.156   2.156
  384   HG11  VAL  48          HG11      VAL  49  -2.720   0.630   0.248
  385   HG12  VAL  48          HG12      VAL  49  -1.703  -0.781  -0.037
  386   HG13  VAL  48          HG13      VAL  49  -1.237   0.788  -0.688
  387   HG21  VAL  48          HG21      VAL  49   1.091   0.762   2.082
  388   HG22  VAL  48          HG22      VAL  49   0.842   1.177   0.386
  389   HG23  VAL  48          HG23      VAL  49   0.825  -0.511   0.888
  390    H    LYS  49           HN       LYS  50  -3.130   3.554   1.220
  391    HA   LYS  49           HA       LYS  50  -5.113   2.585   3.095
  392    HB2  LYS  49           HB2      LYS  50  -5.220   4.728   0.964
  393    HB3  LYS  49           HB1      LYS  50  -6.582   4.303   1.997
  394    HG2  LYS  49           HG2      LYS  50  -5.152   4.857   3.968
  395    HG3  LYS  49           HG1      LYS  50  -3.941   5.466   2.838
  396    HD2  LYS  49           HD2      LYS  50  -5.745   6.971   1.910
  397    HD3  LYS  49           HD1      LYS  50  -6.737   6.483   3.284
  398    HE2  LYS  49           HE2      LYS  50  -3.989   7.678   3.580
  399    HE3  LYS  49           HE1      LYS  50  -5.470   8.635   3.587
  400    HZ1  LYS  49           HZ1      LYS  50  -4.587   7.997   5.818
  401    HZ2  LYS  49           HZ2      LYS  50  -4.991   6.389   5.470
  402    HZ3  LYS  49           HZ3      LYS  50  -6.203   7.577   5.543
  403    H    ILE  50           HN       ILE  51  -6.276   0.863   2.666
  404    HA   ILE  50           HA       ILE  51  -6.649   0.095  -0.138
  405    HB   ILE  50           HB       ILE  51  -7.278  -2.117   0.695
  406   HG12  ILE  50          HG12      ILE  51  -6.435  -1.171   3.432
  407   HG13  ILE  50          HG11      ILE  51  -8.121  -1.187   2.925
  408   HG21  ILE  50          HG21      ILE  51  -4.736  -1.399   2.005
  409   HG22  ILE  50          HG22      ILE  51  -4.884  -1.290   0.261
  410   HG23  ILE  50          HG23      ILE  51  -5.121  -2.833   1.079
  411   HD11  ILE  50          HD11      ILE  51  -8.048  -3.577   2.637
  412   HD12  ILE  50          HD12      ILE  51  -7.492  -3.150   4.256
  413   HD13  ILE  50          HD13      ILE  51  -6.326  -3.598   3.013
  414    H    ASP  51           HN       ASP  52  -8.658  -0.966  -0.656
  415    HA   ASP  51           HA       ASP  52 -10.954   0.447   0.464
  416    HB2  ASP  51           HB2      ASP  52 -10.620   0.268  -2.021
  417    HB3  ASP  51           HB1      ASP  52 -10.848  -1.466  -1.875
  418    H    SER  52           HN       SER  53 -11.657  -0.466   2.266
  419    HA   SER  52           HA       SER  53 -11.111  -3.167   2.951
  420    HB2  SER  52           HB2      SER  53 -13.066  -1.304   4.310
  421    HB3  SER  52           HB1      SER  53 -12.236  -2.689   5.017
  422    HG   SER  52           HG       SER  53 -10.999  -0.315   4.052
  423    H    LYS  53           HN       LYS  54 -13.382  -2.021   0.856
  424    HA   LYS  53           HA       LYS  54 -15.495  -3.843   1.644
  425    HB2  LYS  53           HB2      LYS  54 -15.284  -1.961  -0.704
  426    HB3  LYS  53           HB1      LYS  54 -16.694  -2.935  -0.319
  427    HG2  LYS  53           HG2      LYS  54 -15.574  -1.046   1.702
  428    HG3  LYS  53           HG1      LYS  54 -16.612  -0.457   0.407
  429    HD2  LYS  53           HD2      LYS  54 -17.908  -0.897   2.404
  430    HD3  LYS  53           HD1      LYS  54 -18.377  -2.004   1.123
  431    HE2  LYS  53           HE2      LYS  54 -17.238  -3.803   2.159
  432    HE3  LYS  53           HE1      LYS  54 -16.414  -2.728   3.288
  433    HZ1  LYS  53           HZ1      LYS  54 -19.340  -3.227   3.222
  434    HZ2  LYS  53           HZ2      LYS  54 -18.518  -2.262   4.342
  435    HZ3  LYS  53           HZ3      LYS  54 -18.258  -3.934   4.311
  436    H    VAL  54           HN       VAL  55 -12.963  -3.555  -0.766
  437    HA   VAL  54           HA       VAL  55 -13.919  -5.957  -2.129
  438    HB   VAL  54           HB       VAL  55 -13.240  -3.982  -3.485
  439   HG11  VAL  54          HG11      VAL  55 -11.373  -3.263  -2.046
  440   HG12  VAL  54          HG12      VAL  55 -10.940  -3.378  -3.751
  441   HG13  VAL  54          HG13      VAL  55 -10.436  -4.639  -2.625
  442   HG21  VAL  54          HG21      VAL  55 -13.251  -6.193  -4.484
  443   HG22  VAL  54          HG22      VAL  55 -11.605  -6.475  -3.921
  444   HG23  VAL  54          HG23      VAL  55 -11.921  -5.235  -5.132
  445    H    THR  55           HN       THR  56 -11.290  -4.891  -0.056
  446    HA   THR  55           HA       THR  56 -10.248  -7.627  -0.039
  447    HB   THR  55           HB       THR  56  -9.006  -6.157  -1.738
  448    HG1  THR  55           HG1      THR  56  -8.161  -8.129  -0.752
  449   HG21  THR  55          HG21      THR  56  -8.898  -4.136  -0.322
  450   HG22  THR  55          HG22      THR  56  -7.306  -4.662  -0.866
  451   HG23  THR  55          HG23      THR  56  -7.827  -4.992   0.785
  452    H    ASN  56           HN       ASN  57  -8.510  -7.845   1.711
  453    HA   ASN  56           HA       ASN  57  -9.123  -6.070   3.980
  454    HB2  ASN  56           HB2      ASN  57  -9.537  -7.825   5.358
  455    HB3  ASN  56           HB1      ASN  57  -9.778  -8.729   3.869
  456   HD21  ASN  56          HD21      ASN  57  -8.399 -10.316   3.321
  457   HD22  ASN  56          HD22      ASN  57  -7.085 -10.835   4.324
  458    H    ARG  57           HN       ARG  58  -7.356  -5.772   5.495
  459    HA   ARG  57           HA       ARG  58  -5.074  -4.890   4.340
  460    HB2  ARG  57           HB2      ARG  58  -5.524  -4.203   6.557
  461    HB3  ARG  57           HB1      ARG  58  -5.534  -5.858   7.151
  462    HG2  ARG  57           HG2      ARG  58  -3.153  -6.044   6.807
  463    HG3  ARG  57           HG1      ARG  58  -3.101  -4.443   6.077
  464    HD2  ARG  57           HD2      ARG  58  -2.318  -4.315   8.345
  465    HD3  ARG  57           HD1      ARG  58  -3.865  -3.482   8.217
  466    HE   ARG  57           HE       ARG  58  -4.669  -5.876   9.038
  467   HH11  ARG  57          HH11      ARG  58  -2.004  -3.896  10.144
  468   HH12  ARG  57          HH12      ARG  58  -2.087  -4.468  11.779
  469   HH21  ARG  57          HH21      ARG  58  -4.775  -6.644  11.198
  470   HH22  ARG  57          HH22      ARG  58  -3.656  -6.032  12.377
  471    H    PHE  58           HN       PHE  59  -5.383  -8.096   5.919
  472    HA   PHE  58           HA       PHE  59  -2.604  -8.612   5.755
  473    HB2  PHE  58           HB2      PHE  59  -4.479  -9.699   7.223
  474    HB3  PHE  58           HB1      PHE  59  -4.656 -10.807   5.872
  475    HD1  PHE  58           HD1      PHE  59  -2.111 -11.564   5.012
  476    HD2  PHE  58           HD2      PHE  59  -3.322 -10.578   8.965
  477    HE1  PHE  58           HE1      PHE  59  -0.286 -12.950   5.913
  478    HE2  PHE  58           HE2      PHE  59  -1.496 -11.950   9.874
  479    HZ   PHE  58           HZ       PHE  59   0.026 -13.140   8.348
  480    H    GLU  59           HN       GLU  60  -5.306  -9.525   3.640
  481    HA   GLU  59           HA       GLU  60  -3.771 -11.288   2.028
  482    HB2  GLU  59           HB2      GLU  60  -5.700 -11.378   0.581
  483    HB3  GLU  59           HB1      GLU  60  -6.240 -11.397   2.247
  484    HG2  GLU  59           HG2      GLU  60  -6.854  -9.094   2.132
  485    HG3  GLU  59           HG1      GLU  60  -6.189  -8.970   0.506
  486    H    VAL  60           HN       VAL  61  -4.794  -7.932   1.640
  487    HA   VAL  60           HA       VAL  61  -3.542  -7.628  -0.911
  488    HB   VAL  60           HB       VAL  61  -5.492  -6.288  -0.192
  489   HG11  VAL  60          HG11      VAL  61  -4.609  -5.977   2.164
  490   HG12  VAL  60          HG12      VAL  61  -5.399  -4.600   1.408
  491   HG13  VAL  60          HG13      VAL  61  -3.638  -4.658   1.505
  492   HG21  VAL  60          HG21      VAL  61  -3.025  -4.753  -0.931
  493   HG22  VAL  60          HG22      VAL  61  -4.659  -4.099  -1.014
  494   HG23  VAL  60          HG23      VAL  61  -4.204  -5.472  -2.025
  495    H    GLU  61           HN       GLU  62  -2.661  -6.997   2.402
  496    HA   GLU  61           HA       GLU  62  -0.260  -5.619   2.138
  497    HB2  GLU  61           HB2      GLU  62  -1.504  -6.136   4.245
  498    HB3  GLU  61           HB1      GLU  62  -0.968  -7.795   4.117
  499    HG2  GLU  61           HG2      GLU  62   1.110  -5.712   4.171
  500    HG3  GLU  61           HG1      GLU  62   0.211  -6.003   5.648
  501    H    GLN  62           HN       GLN  63  -0.900  -9.104   2.114
  502    HA   GLN  62           HA       GLN  63   1.672 -10.049   1.666
  503    HB2  GLN  62           HB2      GLN  63  -0.225 -11.531   2.118
  504    HB3  GLN  62           HB1      GLN  63  -0.933 -11.117   0.562
  505    HG2  GLN  62           HG2      GLN  63   0.975 -12.127  -0.575
  506    HG3  GLN  62           HG1      GLN  63   1.676 -12.553   0.985
  507   HE21  GLN  62          HE21      GLN  63   0.769 -14.202   2.187
  508   HE22  GLN  62          HE22      GLN  63  -0.351 -15.332   1.514
  509    H    ALA  63           HN       ALA  64  -0.783  -9.050  -0.715
  510    HA   ALA  63           HA       ALA  64   0.849  -9.470  -2.979
  511    HB1  ALA  63           HB1      ALA  64  -1.443  -7.540  -2.652
  512    HB2  ALA  63           HB2      ALA  64  -1.570  -9.233  -3.129
  513    HB3  ALA  63           HB3      ALA  64  -0.751  -8.080  -4.182
  514    H    ILE  64           HN       ILE  65   0.488  -6.691  -0.831
  515    HA   ILE  64           HA       ILE  65   1.973  -4.865  -2.388
  516    HB   ILE  64           HB       ILE  65   1.069  -4.939   0.436
  517   HG12  ILE  64          HG12      ILE  65   0.850  -2.380  -0.657
  518   HG13  ILE  64          HG11      ILE  65   0.575  -3.467  -2.009
  519   HG21  ILE  64          HG21      ILE  65   3.408  -4.333   0.732
  520   HG22  ILE  64          HG22      ILE  65   2.358  -2.951   1.042
  521   HG23  ILE  64          HG23      ILE  65   3.244  -3.060  -0.478
  522   HD11  ILE  64          HD11      ILE  65  -1.207  -4.550  -0.835
  523   HD12  ILE  64          HD12      ILE  65  -1.489  -2.810  -0.882
  524   HD13  ILE  64          HD13      ILE  65  -0.903  -3.570   0.598
  525    H    ARG  65           HN       ARG  66   3.004  -7.026   0.282
  526    HA   ARG  65           HA       ARG  66   5.676  -6.130   0.233
  527    HB2  ARG  65           HB2      ARG  66   6.191  -8.373   1.310
  528    HB3  ARG  65           HB1      ARG  66   5.136  -7.276   2.186
  529    HG2  ARG  65           HG2      ARG  66   3.944  -9.159   2.478
  530    HG3  ARG  65           HG1      ARG  66   3.319  -8.765   0.876
  531    HD2  ARG  65           HD2      ARG  66   4.056 -11.135   1.129
  532    HD3  ARG  65           HD1      ARG  66   4.866 -10.260  -0.169
  533    HE   ARG  65           HE       ARG  66   6.316 -10.168   2.297
  534   HH11  ARG  65          HH11      ARG  66   5.642 -12.193  -0.480
  535   HH12  ARG  65          HH12      ARG  66   7.186 -12.982  -0.440
  536   HH21  ARG  65          HH21      ARG  66   8.354 -11.217   2.353
  537   HH22  ARG  65          HH22      ARG  66   8.722 -12.433   1.168
  538    H    GLN  66           HN       GLN  67   4.036  -8.626  -1.571
  539    HA   GLN  66           HA       GLN  67   6.302  -9.742  -2.818
  540    HB2  GLN  66           HB2      GLN  67   3.449  -9.533  -3.750
  541    HB3  GLN  66           HB1      GLN  67   4.683 -10.503  -4.554
  542    HG2  GLN  66           HG2      GLN  67   4.981 -11.835  -2.560
  543    HG3  GLN  66           HG1      GLN  67   3.821 -10.838  -1.703
  544   HE21  GLN  66          HE21      GLN  67   4.242 -13.247  -4.170
  545   HE22  GLN  66          HE22      GLN  67   2.584 -13.724  -4.273
  546    H    ALA  67           HN       ALA  68   4.322  -6.947  -3.610
  547    HA   ALA  67           HA       ALA  68   5.529  -6.414  -6.123
  548    HB1  ALA  67           HB1      ALA  68   4.103  -4.602  -4.193
  549    HB2  ALA  67           HB2      ALA  68   3.402  -5.429  -5.581
  550    HB3  ALA  67           HB3      ALA  68   4.579  -4.139  -5.824
  551    H    LEU  68           HN       LEU  69   6.490  -5.921  -2.857
  552    HA   LEU  68           HA       LEU  69   8.659  -4.118  -3.568
  553    HB2  LEU  68           HB2      LEU  69   7.901  -5.397  -0.939
  554    HB3  LEU  68           HB1      LEU  69   9.183  -4.220  -1.151
  555    HG   LEU  68           HG       LEU  69   6.297  -3.627  -1.797
  556   HD11  LEU  68          HD11      LEU  69   6.698  -4.243   0.605
  557   HD12  LEU  68          HD12      LEU  69   6.064  -2.621   0.335
  558   HD13  LEU  68          HD13      LEU  69   7.773  -2.851   0.705
  559   HD21  LEU  68          HD21      LEU  69   8.170  -2.263  -2.817
  560   HD22  LEU  68          HD22      LEU  69   8.557  -1.741  -1.179
  561   HD23  LEU  68          HD23      LEU  69   6.980  -1.366  -1.876
  562    H    GLU  69           HN       GLU  70   8.043  -7.462  -3.009
  563    HA   GLU  69           HA       GLU  70  10.819  -8.198  -2.773
  564    HB2  GLU  69           HB2      GLU  70   8.262  -9.801  -2.991
  565    HB3  GLU  69           HB1      GLU  70   9.858 -10.552  -2.961
  566    HG2  GLU  69           HG2      GLU  70   8.691  -8.802  -0.808
  567    HG3  GLU  69           HG1      GLU  70   8.794 -10.560  -0.767
  Start of MODEL    9
    1    H1   MET   0           HT1      MET   1 -10.957  12.026   4.923
    2    H2   MET   0           HT2      MET   1 -11.068  12.233   3.245
    3    H3   MET   0           HT3      MET   1 -12.399  11.652   4.119
    4    HA   MET   0           HA       MET   1 -12.590  13.734   5.292
    5    HB2  MET   0           HB2      MET   1 -10.218  14.443   3.573
    6    HB3  MET   0           HB1      MET   1 -11.266  15.674   4.263
    7    HG2  MET   0           HG2      MET   1  -9.306  15.363   5.635
    8    HG3  MET   0           HG1      MET   1 -10.751  14.857   6.506
    9    HE1  MET   0           HE1      MET   1  -9.275  13.605   8.298
   10    HE2  MET   0           HE2      MET   1  -7.807  14.101   7.456
   11    HE3  MET   0           HE3      MET   1  -8.040  12.411   7.898
   12    H    GLY   1           HN       GLY   2 -11.747  13.483   1.832
   13    HA2  GLY   1           HA2      GLY   2 -14.534  14.065   1.185
   14    HA3  GLY   1           HA1      GLY   2 -13.345  15.216   0.592
   15    H    LYS   2           HN       LYS   3 -11.317  13.833  -0.310
   16    HA   LYS   2           HA       LYS   3 -12.423  12.471  -2.614
   17    HB2  LYS   2           HB2      LYS   3  -9.566  13.126  -1.875
   18    HB3  LYS   2           HB1      LYS   3 -10.080  12.471  -3.420
   19    HG2  LYS   2           HG2      LYS   3 -10.914  15.137  -2.293
   20    HG3  LYS   2           HG1      LYS   3  -9.664  14.885  -3.510
   21    HD2  LYS   2           HD2      LYS   3 -12.561  14.105  -3.828
   22    HD3  LYS   2           HD1      LYS   3 -11.842  15.585  -4.461
   23    HE2  LYS   2           HE2      LYS   3 -10.370  14.328  -5.884
   24    HE3  LYS   2           HE1      LYS   3 -10.897  12.811  -5.160
   25    HZ1  LYS   2           HZ1      LYS   3 -12.520  14.641  -6.835
   26    HZ2  LYS   2           HZ2      LYS   3 -13.145  13.297  -6.019
   27    HZ3  LYS   2           HZ3      LYS   3 -11.992  13.084  -7.236
   28    H    GLU   3           HN       GLU   4 -11.278  11.636   0.416
   29    HA   GLU   3           HA       GLU   4 -10.227   9.034  -0.351
   30    HB2  GLU   3           HB2      GLU   4 -10.555  10.167   2.430
   31    HB3  GLU   3           HB1      GLU   4  -9.540   8.819   1.945
   32    HG2  GLU   3           HG2      GLU   4  -8.084  10.621   2.311
   33    HG3  GLU   3           HG1      GLU   4  -8.222  10.471   0.562
   34    HA   PRO   4           HA       PRO   5 -14.294   7.203   0.237
   35    HB2  PRO   4           HB2      PRO   5 -12.684   4.715   0.309
   36    HB3  PRO   4           HB1      PRO   5 -14.061   5.131  -0.710
   37    HG2  PRO   4           HG2      PRO   5 -11.595   5.071  -1.714
   38    HG3  PRO   4           HG1      PRO   5 -12.763   6.304  -2.227
   39    HD2  PRO   4           HD2      PRO   5 -10.472   6.537  -0.322
   40    HD3  PRO   4           HD1      PRO   5 -11.036   7.688  -1.551
   41    HA   PRO   5           HA       PRO   6 -14.106   6.623   4.642
   42    HB2  PRO   5           HB2      PRO   6 -16.769   5.513   4.651
   43    HB3  PRO   5           HB1      PRO   6 -16.251   7.130   5.128
   44    HG2  PRO   5           HG2      PRO   6 -17.792   6.597   2.926
   45    HG3  PRO   5           HG1      PRO   6 -16.757   8.024   3.094
   46    HD2  PRO   5           HD2      PRO   6 -16.264   5.486   1.591
   47    HD3  PRO   5           HD1      PRO   6 -15.856   7.158   1.157
   48    H    TYR   6           HN       TYR   7 -13.403   4.297   2.768
   49    HA   TYR   6           HA       TYR   7 -13.869   2.165   4.739
   50    HB2  TYR   6           HB2      TYR   7 -13.829   1.867   1.740
   51    HB3  TYR   6           HB1      TYR   7 -13.941   0.540   2.885
   52    HD1  TYR   6           HD1      TYR   7 -15.964   0.609   4.516
   53    HD2  TYR   6           HD2      TYR   7 -15.769   2.827   0.895
   54    HE1  TYR   6           HE1      TYR   7 -18.414   0.789   4.506
   55    HE2  TYR   6           HE2      TYR   7 -18.222   3.017   0.874
   56    HH   TYR   6           HH       TYR   7 -20.152   2.175   3.578
   57    H    VAL   7           HN       VAL   8 -11.610   4.140   3.690
   58    HA   VAL   7           HA       VAL   8  -9.563   2.297   2.899
   59    HB   VAL   7           HB       VAL   8  -8.069   4.268   2.961
   60   HG11  VAL   7          HG11      VAL   8  -9.211   3.714   0.918
   61   HG12  VAL   7          HG12      VAL   8  -9.143   5.466   1.092
   62   HG13  VAL   7          HG13      VAL   8 -10.641   4.602   1.439
   63   HG21  VAL   7          HG21      VAL   8 -10.550   5.780   3.741
   64   HG22  VAL   7          HG22      VAL   8  -9.008   6.501   3.280
   65   HG23  VAL   7          HG23      VAL   8  -9.126   5.531   4.750
   66    H    SER   8           HN       SER   9  -8.369   1.137   4.203
   67    HA   SER   8           HA       SER   9  -7.733   2.207   6.874
   68    HB2  SER   8           HB2      SER   9  -7.245  -0.636   5.954
   69    HB3  SER   8           HB1      SER   9  -7.281  -0.016   7.602
   70    HG   SER   8           HG       SER   9  -9.296  -1.013   6.183
   71    H    SER   9           HN       SER  10  -5.723   2.984   7.158
   72    HA   SER   9           HA       SER  10  -3.910   2.830   4.893
   73    HB2  SER   9           HB2      SER  10  -2.649   4.592   6.167
   74    HB3  SER   9           HB1      SER  10  -4.317   5.027   5.795
   75    HG   SER   9           HG       SER  10  -3.485   3.879   8.255
   76    H    LEU  10           HN       LEU  11  -2.861   0.904   4.902
   77    HA   LEU  10           HA       LEU  11  -1.823  -0.266   7.328
   78    HB2  LEU  10           HB2      LEU  11  -1.008  -1.047   4.550
   79    HB3  LEU  10           HB1      LEU  11  -1.059  -2.049   5.981
   80    HG   LEU  10           HG       LEU  11  -3.358  -1.123   4.278
   81   HD11  LEU  10          HD11      LEU  11  -2.234  -3.825   5.000
   82   HD12  LEU  10          HD12      LEU  11  -2.199  -3.030   3.425
   83   HD13  LEU  10          HD13      LEU  11  -3.731  -3.567   4.106
   84   HD21  LEU  10          HD21      LEU  11  -3.509  -2.540   6.939
   85   HD22  LEU  10          HD22      LEU  11  -4.855  -2.273   5.837
   86   HD23  LEU  10          HD23      LEU  11  -4.055  -0.900   6.600
   87    H    ARG  11           HN       ARG  12   0.104   0.236   8.226
   88    HA   ARG  11           HA       ARG  12   2.023   1.797   6.729
   89    HB2  ARG  11           HB2      ARG  12   1.601   2.152   9.183
   90    HB3  ARG  11           HB1      ARG  12   2.352   0.588   9.483
   91    HG2  ARG  11           HG2      ARG  12   4.436   1.387   8.515
   92    HG3  ARG  11           HG1      ARG  12   3.689   2.946   8.173
   93    HD2  ARG  11           HD2      ARG  12   4.964   3.198  10.160
   94    HD3  ARG  11           HD1      ARG  12   3.266   3.178  10.630
   95    HE   ARG  11           HE       ARG  12   3.858   0.637  11.010
   96   HH11  ARG  11          HH11      ARG  12   5.747   3.486  11.801
   97   HH12  ARG  11          HH12      ARG  12   6.546   2.728  13.147
   98   HH21  ARG  11          HH21      ARG  12   4.902  -0.347  12.796
   99   HH22  ARG  11          HH22      ARG  12   6.057   0.565  13.717
  100    H    ILE  12           HN       ILE  13   2.918   0.611   5.128
  101    HA   ILE  12           HA       ILE  13   3.793  -2.115   5.607
  102    HB   ILE  12           HB       ILE  13   4.297  -0.561   3.083
  103   HG12  ILE  12          HG12      ILE  13   1.934  -0.203   3.603
  104   HG13  ILE  12          HG11      ILE  13   2.116  -1.281   2.227
  105   HG21  ILE  12          HG21      ILE  13   3.634  -3.451   3.542
  106   HG22  ILE  12          HG22      ILE  13   5.274  -2.813   3.420
  107   HG23  ILE  12          HG23      ILE  13   4.183  -2.715   2.037
  108   HD11  ILE  12          HD11      ILE  13   1.731  -3.202   3.760
  109   HD12  ILE  12          HD12      ILE  13   0.362  -2.105   3.622
  110   HD13  ILE  12          HD13      ILE  13   1.396  -2.045   5.048
  111    H    GLU  13           HN       GLU  14   5.858  -2.705   5.947
  112    HA   GLU  13           HA       GLU  14   7.856  -0.680   6.308
  113    HB2  GLU  13           HB2      GLU  14   9.330  -2.599   6.900
  114    HB3  GLU  13           HB1      GLU  14   7.848  -2.527   7.840
  115    HG2  GLU  13           HG2      GLU  14   6.877  -4.292   6.487
  116    HG3  GLU  13           HG1      GLU  14   8.323  -4.339   5.484
  117    H    ILE  14           HN       ILE  15   9.080   0.124   4.769
  118    HA   ILE  14           HA       ILE  15   9.099  -0.948   2.124
  119    HB   ILE  14           HB       ILE  15  10.777   1.251   3.340
  120   HG12  ILE  14          HG12      ILE  15   8.224   1.366   1.725
  121   HG13  ILE  14          HG11      ILE  15   8.403   1.759   3.432
  122   HG21  ILE  14          HG21      ILE  15  11.562   0.080   1.174
  123   HG22  ILE  14          HG22      ILE  15  11.518   1.844   1.232
  124   HG23  ILE  14          HG23      ILE  15  10.228   0.957   0.422
  125   HD11  ILE  14          HD11      ILE  15   8.319   3.697   1.832
  126   HD12  ILE  14          HD12      ILE  15   9.917   3.206   1.292
  127   HD13  ILE  14          HD13      ILE  15   9.658   3.685   2.971
  128    HA   PRO  15           HA       PRO  16  12.599  -3.717   2.394
  129    HB2  PRO  15           HB2      PRO  16  13.131  -2.907  -0.382
  130    HB3  PRO  15           HB1      PRO  16  12.790  -4.507   0.270
  131    HG2  PRO  15           HG2      PRO  16  11.015  -3.090  -1.216
  132    HG3  PRO  15           HG1      PRO  16  10.535  -4.273   0.003
  133    HD2  PRO  15           HD2      PRO  16  10.438  -1.318   0.094
  134    HD3  PRO  15           HD1      PRO  16   9.443  -2.503   0.943
  135    H    ALA  16           HN       ALA  17  14.894  -3.622   2.248
  136    HA   ALA  16           HA       ALA  17  15.965  -1.164   3.134
  137    HB1  ALA  16           HB1      ALA  17  17.465  -3.584   2.157
  138    HB2  ALA  16           HB2      ALA  17  16.793  -3.413   3.782
  139    HB3  ALA  16           HB3      ALA  17  18.067  -2.324   3.233
  140    H    ASP  17           HN       ASP  18  16.078  -2.851   0.048
  141    HA   ASP  17           HA       ASP  18  17.999  -0.971  -1.042
  142    HB2  ASP  17           HB2      ASP  18  16.596  -3.317  -2.339
  143    HB3  ASP  17           HB1      ASP  18  17.904  -2.384  -3.051
  144    H    ILE  18           HN       ILE  19  14.609  -1.384  -0.946
  145    HA   ILE  18           HA       ILE  19  14.070   0.169  -3.319
  146    HB   ILE  18           HB       ILE  19  12.338  -1.086  -1.208
  147   HG12  ILE  18          HG12      ILE  19  11.346  -2.267  -3.066
  148   HG13  ILE  18          HG11      ILE  19  12.207  -1.273  -4.224
  149   HG21  ILE  18          HG21      ILE  19  11.364   1.108  -1.545
  150   HG22  ILE  18          HG22      ILE  19  10.346  -0.134  -2.275
  151   HG23  ILE  18          HG23      ILE  19  11.382   0.869  -3.291
  152   HD11  ILE  18          HD11      ILE  19  13.565  -3.120  -2.292
  153   HD12  ILE  18          HD12      ILE  19  14.276  -2.296  -3.676
  154   HD13  ILE  18          HD13      ILE  19  13.092  -3.579  -3.926
  155    H    ALA  19           HN       ALA  20  13.488   2.317  -3.389
  156    HA   ALA  19           HA       ALA  20  14.227   3.877  -1.046
  157    HB1  ALA  19           HB1      ALA  20  13.982   5.803  -2.663
  158    HB2  ALA  19           HB2      ALA  20  13.695   4.597  -3.917
  159    HB3  ALA  19           HB3      ALA  20  15.232   4.620  -3.054
  160    H    ALA  20           HN       ALA  21  12.907   5.331  -0.021
  161    HA   ALA  20           HA       ALA  21  10.073   4.864  -0.165
  162    HB1  ALA  20           HB1      ALA  21   9.974   6.541   1.661
  163    HB2  ALA  20           HB2      ALA  21  11.703   6.825   1.454
  164    HB3  ALA  20           HB3      ALA  21  11.129   5.248   1.987
  165    H    ASN  21           HN       ASN  22   9.401   5.578  -2.216
  166    HA   ASN  21           HA       ASN  22   9.023   8.405  -2.462
  167    HB2  ASN  21           HB2      ASN  22  10.321   8.862  -4.389
  168    HB3  ASN  21           HB1      ASN  22  11.398   8.015  -3.291
  169   HD21  ASN  21          HD21      ASN  22  11.973   5.863  -3.762
  170   HD22  ASN  21          HD22      ASN  22  11.832   5.230  -5.365
  171    H    GLU  22           HN       GLU  23   8.247   8.736  -5.004
  172    HA   GLU  22           HA       GLU  23   5.701   7.589  -5.008
  173    HB2  GLU  22           HB2      GLU  23   6.250   9.710  -6.094
  174    HB3  GLU  22           HB1      GLU  23   7.202   8.858  -7.298
  175    HG2  GLU  22           HG2      GLU  23   5.218   7.762  -8.138
  176    HG3  GLU  22           HG1      GLU  23   4.244   8.525  -6.884
  177    H    ALA  23           HN       ALA  24   8.667   6.418  -6.499
  178    HA   ALA  23           HA       ALA  24   7.594   4.648  -8.379
  179    HB1  ALA  23           HB1      ALA  24   9.988   5.171  -8.204
  180    HB2  ALA  23           HB2      ALA  24   9.686   3.435  -8.242
  181    HB3  ALA  23           HB3      ALA  24  10.073   4.229  -6.715
  182    H    LEU  24           HN       LEU  25   8.201   4.225  -4.928
  183    HA   LEU  24           HA       LEU  25   7.354   1.542  -4.746
  184    HB2  LEU  24           HB2      LEU  25   8.636   2.678  -2.982
  185    HB3  LEU  24           HB1      LEU  25   7.280   3.738  -2.672
  186    HG   LEU  24           HG       LEU  25   6.794   0.817  -2.414
  187   HD11  LEU  24          HD11      LEU  25   8.229   2.413  -0.295
  188   HD12  LEU  24          HD12      LEU  25   8.992   1.201  -1.326
  189   HD13  LEU  24          HD13      LEU  25   7.721   0.725  -0.202
  190   HD21  LEU  24          HD21      LEU  25   5.965   3.234  -0.814
  191   HD22  LEU  24          HD22      LEU  25   5.397   1.584  -0.565
  192   HD23  LEU  24          HD23      LEU  25   5.004   2.435  -2.059
  193    H    LYS  25           HN       LYS  26   5.708   4.624  -4.513
  194    HA   LYS  25           HA       LYS  26   3.183   3.741  -3.714
  195    HB2  LYS  25           HB2      LYS  26   3.709   6.071  -3.643
  196    HB3  LYS  25           HB1      LYS  26   4.052   6.114  -5.358
  197    HG2  LYS  25           HG2      LYS  26   1.629   5.530  -5.726
  198    HG3  LYS  25           HG1      LYS  26   1.391   5.839  -4.009
  199    HD2  LYS  25           HD2      LYS  26   2.286   8.111  -4.320
  200    HD3  LYS  25           HD1      LYS  26   2.423   7.791  -6.050
  201    HE2  LYS  25           HE2      LYS  26   0.032   7.422  -6.208
  202    HE3  LYS  25           HE1      LYS  26  -0.143   7.659  -4.474
  203    HZ1  LYS  25           HZ1      LYS  26   0.608   9.946  -4.757
  204    HZ2  LYS  25           HZ2      LYS  26  -0.756   9.642  -5.703
  205    HZ3  LYS  25           HZ3      LYS  26   0.770   9.708  -6.424
  206    H    VAL  26           HN       VAL  27   4.440   4.360  -6.987
  207    HA   VAL  26           HA       VAL  27   1.999   3.763  -8.265
  208    HB   VAL  26           HB       VAL  27   3.221   3.757 -10.370
  209   HG11  VAL  26          HG11      VAL  27   4.098   5.914  -8.461
  210   HG12  VAL  26          HG12      VAL  27   2.611   5.888  -9.410
  211   HG13  VAL  26          HG13      VAL  27   4.171   6.025 -10.219
  212   HG21  VAL  26          HG21      VAL  27   5.217   2.565  -9.775
  213   HG22  VAL  26          HG22      VAL  27   5.692   3.834  -8.648
  214   HG23  VAL  26          HG23      VAL  27   5.669   4.157 -10.381
  215    H    ARG  27           HN       ARG  28   4.743   1.699  -7.411
  216    HA   ARG  27           HA       ARG  28   3.758  -0.495  -8.973
  217    HB2  ARG  27           HB2      ARG  28   5.441  -1.862  -7.940
  218    HB3  ARG  27           HB1      ARG  28   6.151  -0.305  -8.335
  219    HG2  ARG  27           HG2      ARG  28   6.211   0.359  -6.088
  220    HG3  ARG  27           HG1      ARG  28   5.114  -0.933  -5.592
  221    HD2  ARG  27           HD2      ARG  28   7.347  -1.508  -4.922
  222    HD3  ARG  27           HD1      ARG  28   6.846  -2.587  -6.220
  223    HE   ARG  27           HE       ARG  28   8.309  -0.303  -7.164
  224   HH11  ARG  27          HH11      ARG  28   8.573  -3.570  -5.933
  225   HH12  ARG  27          HH12      ARG  28  10.217  -3.771  -6.455
  226   HH21  ARG  27          HH21      ARG  28  10.467  -0.576  -7.873
  227   HH22  ARG  27          HH22      ARG  28  11.295  -2.068  -7.557
  228    H    LEU  28           HN       LEU  29   3.352   0.526  -5.610
  229    HA   LEU  28           HA       LEU  29   1.889  -1.809  -4.881
  230    HB2  LEU  28           HB2      LEU  29   1.997   0.897  -3.558
  231    HB3  LEU  28           HB1      LEU  29   1.304  -0.553  -2.857
  232    HG   LEU  28           HG       LEU  29   4.195   0.019  -3.430
  233   HD11  LEU  28          HD11      LEU  29   3.407   0.871  -1.343
  234   HD12  LEU  28          HD12      LEU  29   4.428  -0.534  -1.039
  235   HD13  LEU  28          HD13      LEU  29   2.673  -0.680  -0.935
  236   HD21  LEU  28          HD21      LEU  29   2.831  -2.583  -3.008
  237   HD22  LEU  28          HD22      LEU  29   4.477  -2.346  -2.436
  238   HD23  LEU  28          HD23      LEU  29   4.101  -2.167  -4.150
  239    H    LEU  29           HN       LEU  30   1.081   1.286  -6.271
  240    HA   LEU  29           HA       LEU  30  -1.698   1.237  -5.904
  241    HB2  LEU  29           HB2      LEU  30   0.124   2.511  -7.896
  242    HB3  LEU  29           HB1      LEU  30  -1.608   2.586  -8.138
  243    HG   LEU  29           HG       LEU  30  -0.165   3.596  -5.690
  244   HD11  LEU  29          HD11      LEU  30   0.430   5.113  -7.316
  245   HD12  LEU  29          HD12      LEU  30  -1.057   5.816  -6.680
  246   HD13  LEU  29          HD13      LEU  30  -1.083   4.923  -8.200
  247   HD21  LEU  29          HD21      LEU  30  -2.153   3.667  -4.722
  248   HD22  LEU  29          HD22      LEU  30  -2.898   2.960  -6.155
  249   HD23  LEU  29          HD23      LEU  30  -2.743   4.711  -6.015
  250    H    GLU  30           HN       GLU  31   0.240  -0.877  -7.668
  251    HA   GLU  30           HA       GLU  31  -1.784  -1.565  -9.645
  252    HB2  GLU  30           HB2      GLU  31   0.883  -2.875  -9.086
  253    HB3  GLU  30           HB1      GLU  31  -0.137  -3.150 -10.488
  254    HG2  GLU  30           HG2      GLU  31   0.227  -0.873 -11.232
  255    HG3  GLU  30           HG1      GLU  31   1.193  -0.542  -9.795
  256    H    THR  31           HN       THR  32  -2.107  -2.005  -6.633
  257    HA   THR  31           HA       THR  32  -2.225  -4.950  -6.594
  258    HB   THR  31           HB       THR  32  -2.293  -3.059  -4.242
  259    HG1  THR  31           HG1      THR  32  -0.273  -2.800  -4.957
  260   HG21  THR  31          HG21      THR  32  -2.935  -4.938  -3.197
  261   HG22  THR  31          HG22      THR  32  -1.251  -5.423  -3.375
  262   HG23  THR  31          HG23      THR  32  -2.454  -5.963  -4.546
  263    H    GLU  32           HN       GLU  33  -4.128  -6.008  -5.997
  264    HA   GLU  32           HA       GLU  33  -6.554  -4.682  -6.621
  265    HB2  GLU  32           HB2      GLU  33  -6.308  -7.070  -7.022
  266    HB3  GLU  32           HB1      GLU  33  -6.075  -7.363  -5.304
  267    HG2  GLU  32           HG2      GLU  33  -8.361  -6.577  -4.873
  268    HG3  GLU  32           HG1      GLU  33  -8.590  -6.333  -6.603
  269    H    GLY  33           HN       GLY  34  -7.448  -3.188  -5.360
  270    HA2  GLY  33           HA2      GLY  34  -8.903  -2.923  -3.436
  271    HA3  GLY  33           HA1      GLY  34  -7.737  -3.847  -2.502
  272    H    VAL  34           HN       VAL  35  -5.872  -1.889  -4.354
  273    HA   VAL  34           HA       VAL  35  -5.396  -0.125  -2.131
  274    HB   VAL  34           HB       VAL  35  -3.628   0.868  -3.538
  275   HG11  VAL  34          HG11      VAL  35  -3.741  -2.016  -3.066
  276   HG12  VAL  34          HG12      VAL  35  -2.898  -0.787  -2.146
  277   HG13  VAL  34          HG13      VAL  35  -2.298  -1.278  -3.732
  278   HG21  VAL  34          HG21      VAL  35  -3.030  -0.230  -5.654
  279   HG22  VAL  34          HG22      VAL  35  -4.574   0.617  -5.731
  280   HG23  VAL  34          HG23      VAL  35  -4.539  -1.139  -5.569
  281    H    LYS  35           HN       LYS  36  -6.132   1.867  -1.843
  282    HA   LYS  35           HA       LYS  36  -7.538   3.186  -4.055
  283    HB2  LYS  35           HB2      LYS  36  -7.570   3.661  -1.072
  284    HB3  LYS  35           HB1      LYS  36  -8.378   4.708  -2.231
  285    HG2  LYS  35           HG2      LYS  36  -8.959   1.788  -1.820
  286    HG3  LYS  35           HG1      LYS  36  -9.928   3.124  -1.209
  287    HD2  LYS  35           HD2      LYS  36 -10.039   3.854  -3.666
  288    HD3  LYS  35           HD1      LYS  36  -9.510   2.219  -4.034
  289    HE2  LYS  35           HE2      LYS  36 -11.432   1.331  -2.802
  290    HE3  LYS  35           HE1      LYS  36 -11.965   2.972  -2.452
  291    HZ1  LYS  35           HZ1      LYS  36 -11.730   1.754  -5.150
  292    HZ2  LYS  35           HZ2      LYS  36 -12.222   3.338  -4.832
  293    HZ3  LYS  35           HZ3      LYS  36 -13.170   2.040  -4.313
  294    H    GLU  36           HN       GLU  37  -4.870   3.488  -1.832
  295    HA   GLU  36           HA       GLU  37  -3.591   5.508  -3.344
  296    HB2  GLU  36           HB2      GLU  37  -5.247   6.962  -2.378
  297    HB3  GLU  36           HB1      GLU  37  -4.951   6.318  -0.773
  298    HG2  GLU  36           HG2      GLU  37  -2.819   7.361  -0.668
  299    HG3  GLU  36           HG1      GLU  37  -2.896   7.821  -2.370
  300    H    VAL  37           HN       VAL  38  -1.471   5.675  -2.799
  301    HA   VAL  37           HA       VAL  38  -0.595   4.183  -0.411
  302    HB   VAL  37           HB       VAL  38   0.861   4.381  -3.050
  303   HG11  VAL  37          HG11      VAL  38   2.383   4.315  -1.160
  304   HG12  VAL  37          HG12      VAL  38   2.441   2.796  -2.054
  305   HG13  VAL  37          HG13      VAL  38   1.562   2.891  -0.528
  306   HG21  VAL  37          HG21      VAL  38  -0.334   1.929  -1.788
  307   HG22  VAL  37          HG22      VAL  38   0.357   2.086  -3.401
  308   HG23  VAL  37          HG23      VAL  38  -1.162   2.890  -3.009
  309    H    LEU  38           HN       LEU  39   0.403   5.378   1.034
  310    HA   LEU  38           HA       LEU  39   1.525   7.975   0.207
  311    HB2  LEU  38           HB2      LEU  39  -0.423   7.964   1.774
  312    HB3  LEU  38           HB1      LEU  39   0.561   7.113   2.929
  313    HG   LEU  38           HG       LEU  39   1.496   9.760   1.905
  314   HD11  LEU  38          HD11      LEU  39  -0.948   9.831   2.612
  315   HD12  LEU  38          HD12      LEU  39   0.155  10.948   3.415
  316   HD13  LEU  38          HD13      LEU  39  -0.369   9.478   4.239
  317   HD21  LEU  38          HD21      LEU  39   2.748   8.120   3.443
  318   HD22  LEU  38          HD22      LEU  39   1.631   8.670   4.691
  319   HD23  LEU  38          HD23      LEU  39   2.701   9.824   3.890
  320    H    ILE  39           HN       ILE  40   3.696   7.935   0.116
  321    HA   ILE  39           HA       ILE  40   5.195   5.933   1.560
  322    HB   ILE  39           HB       ILE  40   5.926   8.163  -0.314
  323   HG12  ILE  39          HG12      ILE  40   6.999   6.385  -1.560
  324   HG13  ILE  39          HG11      ILE  40   6.726   5.246  -0.250
  325   HG21  ILE  39          HG21      ILE  40   7.757   6.845   1.655
  326   HG22  ILE  39          HG22      ILE  40   7.609   8.555   1.236
  327   HG23  ILE  39          HG23      ILE  40   8.357   7.431   0.100
  328   HD11  ILE  39          HD11      ILE  40   4.413   5.201  -0.663
  329   HD12  ILE  39          HD12      ILE  40   5.207   5.046  -2.230
  330   HD13  ILE  39          HD13      ILE  40   4.501   6.589  -1.743
  331    H    ALA  40           HN       ALA  41   6.100   6.138   3.496
  332    HA   ALA  40           HA       ALA  41   6.275   8.805   4.736
  333    HB1  ALA  40           HB1      ALA  41   6.052   6.127   6.101
  334    HB2  ALA  40           HB2      ALA  41   4.718   7.259   5.873
  335    HB3  ALA  40           HB3      ALA  41   6.088   7.703   6.892
  336    H    GLU  41           HN       GLU  42   8.325   9.190   3.819
  337    HA   GLU  41           HA       GLU  42  10.439   7.387   3.680
  338    HB2  GLU  41           HB2      GLU  42  10.501  10.387   3.891
  339    HB3  GLU  41           HB1      GLU  42  11.877   9.401   3.446
  340    HG2  GLU  41           HG2      GLU  42  10.746   8.669   1.449
  341    HG3  GLU  41           HG1      GLU  42   9.291   9.541   1.925
  342    H    GLU  42           HN       GLU  43   9.607   9.686   6.239
  343    HA   GLU  42           HA       GLU  43  11.921   9.466   7.767
  344    HB2  GLU  42           HB2      GLU  43   9.112   9.942   8.734
  345    HB3  GLU  42           HB1      GLU  43  10.566  10.219   9.675
  346    HG2  GLU  42           HG2      GLU  43  10.032  12.318   8.915
  347    HG3  GLU  42           HG1      GLU  43  11.249  11.788   7.764
  348    H    GLU  43           HN       GLU  44   9.033   7.440   7.739
  349    HA   GLU  43           HA       GLU  44  10.049   5.840   9.949
  350    HB2  GLU  43           HB2      GLU  44   7.511   5.557   8.333
  351    HB3  GLU  43           HB1      GLU  44   7.921   4.613   9.756
  352    HG2  GLU  43           HG2      GLU  44   7.994   6.765  11.038
  353    HG3  GLU  43           HG1      GLU  44   7.327   7.549   9.606
  354    H    HIS  44           HN       HIS  45  10.719   5.958   6.784
  355    HA   HIS  44           HA       HIS  45  11.208   4.544   5.072
  356    HB2  HIS  44           HB2      HIS  45  12.954   3.940   6.850
  357    HB3  HIS  44           HB1      HIS  45  11.961   2.531   7.200
  358    HD1  HIS  44           HD1      HIS  45  14.242   3.965   4.594
  359    HD2  HIS  44           HD2      HIS  45  12.059   0.498   5.271
  360    HE1  HIS  44           HE1      HIS  45  15.072   2.300   2.904
  361    HE2  HIS  44           HE2      HIS  45  13.624   0.268   3.227
  362    H    SER  45           HN       SER  46   8.574   4.633   5.774
  363    HA   SER  45           HA       SER  46   7.655   1.902   5.220
  364    HB2  SER  45           HB2      SER  46   6.430   3.804   7.238
  365    HB3  SER  45           HB1      SER  46   5.779   2.227   6.789
  366    HG   SER  45           HG       SER  46   8.411   2.517   7.796
  367    H    ALA  46           HN       ALA  47   5.233   2.029   4.564
  368    HA   ALA  46           HA       ALA  47   4.495   4.587   3.359
  369    HB1  ALA  46           HB1      ALA  47   4.730   2.039   1.799
  370    HB2  ALA  46           HB2      ALA  47   5.637   3.522   1.549
  371    HB3  ALA  46           HB3      ALA  47   3.904   3.478   1.226
  372    H    TYR  47           HN       TYR  48   2.427   4.992   3.703
  373    HA   TYR  47           HA       TYR  48   0.765   2.946   4.907
  374    HB2  TYR  47           HB2      TYR  48   0.397   5.928   4.526
  375    HB3  TYR  47           HB1      TYR  48  -0.832   4.886   5.235
  376    HD1  TYR  47           HD2      TYR  48   2.738   5.875   5.666
  377    HD2  TYR  47           HD1      TYR  48  -0.835   4.513   7.531
  378    HE1  TYR  47           HE2      TYR  48   3.799   6.124   7.868
  379    HE2  TYR  47           HE1      TYR  48   0.220   4.754   9.739
  380    HH   TYR  47           HH       TYR  48   3.384   6.245  10.110
  381    H    VAL  48           HN       VAL  49  -0.121   1.626   3.529
  382    HA   VAL  48           HA       VAL  49  -1.187   2.619   0.998
  383    HB   VAL  48           HB       VAL  49  -0.994  -0.210   2.028
  384   HG11  VAL  48          HG11      VAL  49  -1.701   0.879  -0.667
  385   HG12  VAL  48          HG12      VAL  49  -2.729  -0.065   0.403
  386   HG13  VAL  48          HG13      VAL  49  -1.322  -0.809  -0.356
  387   HG21  VAL  48          HG21      VAL  49   1.187   0.928   1.715
  388   HG22  VAL  48          HG22      VAL  49   0.757   1.179   0.018
  389   HG23  VAL  48          HG23      VAL  49   0.945  -0.458   0.645
  390    H    LYS  49           HN       LYS  50  -3.192   3.315   0.988
  391    HA   LYS  49           HA       LYS  50  -5.061   2.524   3.039
  392    HB2  LYS  49           HB2      LYS  50  -5.371   4.329   0.633
  393    HB3  LYS  49           HB1      LYS  50  -6.610   4.077   1.852
  394    HG2  LYS  49           HG2      LYS  50  -5.073   4.973   3.556
  395    HG3  LYS  49           HG1      LYS  50  -3.892   5.291   2.284
  396    HD2  LYS  49           HD2      LYS  50  -5.649   6.706   1.165
  397    HD3  LYS  49           HD1      LYS  50  -6.614   6.530   2.631
  398    HE2  LYS  49           HE2      LYS  50  -4.921   7.584   3.959
  399    HE3  LYS  49           HE1      LYS  50  -3.800   7.609   2.603
  400    HZ1  LYS  49           HZ1      LYS  50  -6.382   9.071   2.644
  401    HZ2  LYS  49           HZ2      LYS  50  -5.147   9.201   1.485
  402    HZ3  LYS  49           HZ3      LYS  50  -4.896   9.762   3.063
  403    H    ILE  50           HN       ILE  51  -6.374   0.891   2.924
  404    HA   ILE  50           HA       ILE  51  -6.637  -0.497   0.354
  405    HB   ILE  50           HB       ILE  51  -7.128  -2.497   1.582
  406   HG12  ILE  50          HG12      ILE  51  -6.721  -1.482   4.287
  407   HG13  ILE  50          HG11      ILE  51  -8.156  -0.803   3.526
  408   HG21  ILE  50          HG21      ILE  51  -4.825  -2.211   1.443
  409   HG22  ILE  50          HG22      ILE  51  -5.102  -2.581   3.139
  410   HG23  ILE  50          HG23      ILE  51  -4.814  -0.917   2.632
  411   HD11  ILE  50          HD11      ILE  51  -7.557  -3.740   3.796
  412   HD12  ILE  50          HD12      ILE  51  -9.015  -3.027   3.112
  413   HD13  ILE  50          HD13      ILE  51  -8.648  -2.815   4.823
  414    H    ASP  51           HN       ASP  52  -8.585  -1.089  -0.442
  415    HA   ASP  51           HA       ASP  52 -10.960   0.164   0.639
  416    HB2  ASP  51           HB2      ASP  52 -10.583   0.044  -1.801
  417    HB3  ASP  51           HB1      ASP  52 -10.616  -1.709  -1.711
  418    H    SER  52           HN       SER  53 -11.577  -0.795   2.480
  419    HA   SER  52           HA       SER  53 -11.111  -3.515   3.073
  420    HB2  SER  52           HB2      SER  53 -13.069  -1.675   4.452
  421    HB3  SER  52           HB1      SER  53 -12.265  -3.093   5.129
  422    HG   SER  52           HG       SER  53 -11.235  -0.536   4.587
  423    H    LYS  53           HN       LYS  54 -13.274  -2.334   0.924
  424    HA   LYS  53           HA       LYS  54 -15.452  -4.141   1.570
  425    HB2  LYS  53           HB2      LYS  54 -15.054  -2.290  -0.789
  426    HB3  LYS  53           HB1      LYS  54 -16.506  -3.223  -0.474
  427    HG2  LYS  53           HG2      LYS  54 -15.404  -1.109   1.360
  428    HG3  LYS  53           HG1      LYS  54 -16.684  -0.848   0.176
  429    HD2  LYS  53           HD2      LYS  54 -16.936  -2.995   2.251
  430    HD3  LYS  53           HD1      LYS  54 -17.312  -1.321   2.646
  431    HE2  LYS  53           HE2      LYS  54 -19.345  -2.418   2.033
  432    HE3  LYS  53           HE1      LYS  54 -18.917  -1.297   0.745
  433    HZ1  LYS  53           HZ1      LYS  54 -19.702  -3.494  -0.031
  434    HZ2  LYS  53           HZ2      LYS  54 -18.340  -4.208   0.669
  435    HZ3  LYS  53           HZ3      LYS  54 -18.160  -3.102  -0.597
  436    H    VAL  54           HN       VAL  55 -12.949  -3.736  -0.907
  437    HA   VAL  54           HA       VAL  55 -13.718  -6.275  -2.121
  438    HB   VAL  54           HB       VAL  55 -13.197  -4.293  -3.549
  439   HG11  VAL  54          HG11      VAL  55 -11.357  -3.388  -2.230
  440   HG12  VAL  54          HG12      VAL  55 -10.902  -3.631  -3.914
  441   HG13  VAL  54          HG13      VAL  55 -10.357  -4.768  -2.681
  442   HG21  VAL  54          HG21      VAL  55 -13.116  -6.526  -4.489
  443   HG22  VAL  54          HG22      VAL  55 -11.447  -6.713  -3.954
  444   HG23  VAL  54          HG23      VAL  55 -11.847  -5.523  -5.193
  445    H    THR  55           HN       THR  56 -11.267  -4.999  -0.012
  446    HA   THR  55           HA       THR  56  -9.972  -7.625   0.031
  447    HB   THR  55           HB       THR  56  -8.719  -6.205  -1.591
  448    HG1  THR  55           HG1      THR  56  -7.119  -7.371  -0.905
  449   HG21  THR  55          HG21      THR  56  -8.281  -4.464   0.828
  450   HG22  THR  55          HG22      THR  56  -9.024  -4.010  -0.703
  451   HG23  THR  55          HG23      THR  56  -7.300  -4.377  -0.631
  452    H    ASN  56           HN       ASN  57  -8.348  -7.751   1.860
  453    HA   ASN  56           HA       ASN  57  -9.080  -5.945   4.075
  454    HB2  ASN  56           HB2      ASN  57  -8.319  -8.862   4.366
  455    HB3  ASN  56           HB1      ASN  57  -8.809  -7.767   5.654
  456   HD21  ASN  56          HD21      ASN  57  -9.812  -9.792   3.084
  457   HD22  ASN  56          HD22      ASN  57 -11.517  -9.698   3.388
  458    H    ARG  57           HN       ARG  58  -7.334  -5.854   5.742
  459    HA   ARG  57           HA       ARG  58  -5.068  -4.765   4.741
  460    HB2  ARG  57           HB2      ARG  58  -5.512  -4.354   7.007
  461    HB3  ARG  57           HB1      ARG  58  -5.613  -6.067   7.392
  462    HG2  ARG  57           HG2      ARG  58  -3.189  -6.273   6.991
  463    HG3  ARG  57           HG1      ARG  58  -3.113  -4.539   6.695
  464    HD2  ARG  57           HD2      ARG  58  -4.071  -5.792   9.261
  465    HD3  ARG  57           HD1      ARG  58  -2.430  -5.212   8.986
  466    HE   ARG  57           HE       ARG  58  -4.781  -3.435   8.835
  467   HH11  ARG  57          HH11      ARG  58  -1.535  -4.147   9.954
  468   HH12  ARG  57          HH12      ARG  58  -1.334  -2.611  10.734
  469   HH21  ARG  57          HH21      ARG  58  -4.509  -1.421   9.859
  470   HH22  ARG  57          HH22      ARG  58  -3.024  -1.061  10.681
  471    H    PHE  58           HN       PHE  59  -5.374  -8.162   5.815
  472    HA   PHE  58           HA       PHE  59  -2.554  -8.561   5.631
  473    HB2  PHE  58           HB2      PHE  59  -4.206  -9.802   7.139
  474    HB3  PHE  58           HB1      PHE  59  -4.620 -10.758   5.720
  475    HD1  PHE  58           HD1      PHE  59  -2.383 -11.609   4.430
  476    HD2  PHE  58           HD2      PHE  59  -2.730 -10.770   8.585
  477    HE1  PHE  58           HE1      PHE  59  -0.495 -13.126   4.891
  478    HE2  PHE  58           HE2      PHE  59  -0.839 -12.272   9.054
  479    HZ   PHE  58           HZ       PHE  59   0.282 -13.451   7.207
  480    H    GLU  59           HN       GLU  60  -5.290  -9.581   3.596
  481    HA   GLU  59           HA       GLU  60  -3.722 -11.171   1.883
  482    HB2  GLU  59           HB2      GLU  60  -5.666 -11.248   0.425
  483    HB3  GLU  59           HB1      GLU  60  -6.129 -11.465   2.102
  484    HG2  GLU  59           HG2      GLU  60  -6.866  -9.200   2.243
  485    HG3  GLU  59           HG1      GLU  60  -6.369  -8.911   0.581
  486    H    VAL  60           HN       VAL  61  -4.865  -7.847   1.631
  487    HA   VAL  60           HA       VAL  61  -3.715  -7.401  -0.928
  488    HB   VAL  60           HB       VAL  61  -5.579  -6.040   0.047
  489   HG11  VAL  60          HG11      VAL  61  -4.661  -5.741   2.292
  490   HG12  VAL  60          HG12      VAL  61  -5.079  -4.205   1.536
  491   HG13  VAL  60          HG13      VAL  61  -3.392  -4.711   1.629
  492   HG21  VAL  60          HG21      VAL  61  -3.150  -4.602  -0.963
  493   HG22  VAL  60          HG22      VAL  61  -4.748  -3.872  -0.841
  494   HG23  VAL  60          HG23      VAL  61  -4.486  -5.247  -1.914
  495    H    GLU  61           HN       GLU  62  -2.636  -6.834   2.378
  496    HA   GLU  61           HA       GLU  62  -0.199  -5.572   2.007
  497    HB2  GLU  61           HB2      GLU  62  -1.470  -6.382   4.142
  498    HB3  GLU  61           HB1      GLU  62  -0.542  -7.847   3.940
  499    HG2  GLU  61           HG2      GLU  62   0.610  -5.104   4.331
  500    HG3  GLU  61           HG1      GLU  62   0.412  -6.324   5.582
  501    H    GLN  62           HN       GLN  63  -0.971  -9.034   1.874
  502    HA   GLN  62           HA       GLN  63   1.558 -10.055   1.331
  503    HB2  GLN  62           HB2      GLN  63  -0.403 -11.472   1.800
  504    HB3  GLN  62           HB1      GLN  63  -1.097 -11.019   0.249
  505    HG2  GLN  62           HG2      GLN  63   0.889 -12.014  -0.856
  506    HG3  GLN  62           HG1      GLN  63   1.403 -12.614   0.719
  507   HE21  GLN  62          HE21      GLN  63   0.716 -14.073  -1.690
  508   HE22  GLN  62          HE22      GLN  63  -0.583 -15.138  -1.262
  509    H    ALA  63           HN       ALA  64  -0.943  -8.953  -0.940
  510    HA   ALA  63           HA       ALA  64   0.593  -9.385  -3.269
  511    HB1  ALA  63           HB1      ALA  64  -1.673  -7.451  -2.805
  512    HB2  ALA  63           HB2      ALA  64  -1.819  -9.126  -3.340
  513    HB3  ALA  63           HB3      ALA  64  -1.040  -7.934  -4.379
  514    H    ILE  64           HN       ILE  65   0.349  -6.643  -1.068
  515    HA   ILE  64           HA       ILE  65   1.806  -4.808  -2.630
  516    HB   ILE  64           HB       ILE  65   1.009  -4.942   0.223
  517   HG12  ILE  64          HG12      ILE  65   0.775  -2.357  -0.809
  518   HG13  ILE  64          HG11      ILE  65   0.429  -3.417  -2.166
  519   HG21  ILE  64          HG21      ILE  65   3.358  -4.365   0.454
  520   HG22  ILE  64          HG22      ILE  65   2.338  -2.974   0.820
  521   HG23  ILE  64          HG23      ILE  65   3.174  -3.071  -0.729
  522   HD11  ILE  64          HD11      ILE  65  -1.299  -4.520  -0.904
  523   HD12  ILE  64          HD12      ILE  65  -1.584  -2.780  -0.970
  524   HD13  ILE  64          HD13      ILE  65  -0.940  -3.514   0.501
  525    H    ARG  65           HN       ARG  66   2.925  -7.003   0.004
  526    HA   ARG  65           HA       ARG  66   5.601  -6.150  -0.250
  527    HB2  ARG  65           HB2      ARG  66   6.165  -8.405   0.821
  528    HB3  ARG  65           HB1      ARG  66   5.307  -7.208   1.771
  529    HG2  ARG  65           HG2      ARG  66   4.230  -9.162   2.310
  530    HG3  ARG  65           HG1      ARG  66   3.209  -8.543   1.012
  531    HD2  ARG  65           HD2      ARG  66   3.757 -10.985   0.872
  532    HD3  ARG  65           HD1      ARG  66   4.150 -10.040  -0.559
  533    HE   ARG  65           HE       ARG  66   6.470 -10.082   0.888
  534   HH11  ARG  65          HH11      ARG  66   4.297 -12.541  -0.323
  535   HH12  ARG  65          HH12      ARG  66   5.558 -13.683  -0.649
  536   HH21  ARG  65          HH21      ARG  66   8.153 -11.580   0.430
  537   HH22  ARG  65          HH22      ARG  66   7.745 -13.140  -0.215
  538    H    GLN  66           HN       GLN  67   3.807  -8.615  -1.933
  539    HA   GLN  66           HA       GLN  67   5.999  -9.827  -3.228
  540    HB2  GLN  66           HB2      GLN  67   3.123  -9.556  -4.065
  541    HB3  GLN  66           HB1      GLN  67   4.307 -10.516  -4.950
  542    HG2  GLN  66           HG2      GLN  67   4.689 -11.879  -2.962
  543    HG3  GLN  66           HG1      GLN  67   3.503 -10.929  -2.090
  544   HE21  GLN  66          HE21      GLN  67   3.158 -11.853  -5.447
  545   HE22  GLN  66          HE22      GLN  67   1.831 -12.938  -5.210
  546    H    ALA  67           HN       ALA  68   4.126  -6.956  -3.973
  547    HA   ALA  67           HA       ALA  68   5.255  -6.479  -6.529
  548    HB1  ALA  67           HB1      ALA  68   3.970  -4.665  -4.507
  549    HB2  ALA  67           HB2      ALA  68   3.249  -5.351  -5.962
  550    HB3  ALA  67           HB3      ALA  68   4.498  -4.113  -6.097
  551    H    LEU  68           HN       LEU  69   6.430  -6.081  -3.325
  552    HA   LEU  68           HA       LEU  69   8.670  -4.409  -4.204
  553    HB2  LEU  68           HB2      LEU  69   7.798  -5.331  -1.465
  554    HB3  LEU  68           HB1      LEU  69   9.213  -4.342  -1.770
  555    HG   LEU  68           HG       LEU  69   6.470  -3.442  -2.611
  556   HD11  LEU  68          HD11      LEU  69   6.548  -3.978  -0.162
  557   HD12  LEU  68          HD12      LEU  69   6.205  -2.293  -0.546
  558   HD13  LEU  68          HD13      LEU  69   7.814  -2.764  -0.006
  559   HD21  LEU  68          HD21      LEU  69   8.543  -2.366  -3.525
  560   HD22  LEU  68          HD22      LEU  69   8.937  -1.879  -1.877
  561   HD23  LEU  68          HD23      LEU  69   7.469  -1.279  -2.646
  562    H    GLU  69           HN       GLU  70   7.845  -7.631  -3.388
  563    HA   GLU  69           HA       GLU  70  10.421  -8.579  -2.675
  564    HB2  GLU  69           HB2      GLU  70   8.304  -9.569  -1.911
  565    HB3  GLU  69           HB1      GLU  70   7.909 -10.032  -3.556
  566    HG2  GLU  69           HG2      GLU  70   8.681 -11.927  -2.411
  567    HG3  GLU  69           HG1      GLU  70   9.932 -11.466  -3.559
  Start of MODEL   10
    1    H1   MET   0           HT1      MET   1  -5.593   9.121   8.846
    2    H2   MET   0           HT2      MET   1  -6.855   9.927   8.070
    3    H3   MET   0           HT3      MET   1  -6.486  10.291   9.679
    4    HA   MET   0           HA       MET   1  -4.328  11.136   9.026
    5    HB2  MET   0           HB2      MET   1  -4.070   9.739   7.018
    6    HB3  MET   0           HB1      MET   1  -5.351  10.641   6.223
    7    HG2  MET   0           HG2      MET   1  -3.995  12.666   6.332
    8    HG3  MET   0           HG1      MET   1  -2.713  11.761   7.133
    9    HE1  MET   0           HE1      MET   1  -1.181  12.422   3.612
   10    HE2  MET   0           HE2      MET   1  -0.977  12.597   5.355
   11    HE3  MET   0           HE3      MET   1  -2.233  13.510   4.517
   12    H    GLY   1           HN       GLY   2  -7.451  11.636   7.401
   13    HA2  GLY   1           HA2      GLY   2  -8.221  13.952   8.532
   14    HA3  GLY   1           HA1      GLY   2  -7.075  14.505   7.317
   15    H    LYS   2           HN       LYS   3  -7.665  14.566   5.209
   16    HA   LYS   2           HA       LYS   3 -10.447  14.240   4.557
   17    HB2  LYS   2           HB2      LYS   3  -8.080  14.835   2.764
   18    HB3  LYS   2           HB1      LYS   3  -9.773  14.988   2.313
   19    HG2  LYS   2           HG2      LYS   3 -10.079  16.737   3.968
   20    HG3  LYS   2           HG1      LYS   3  -8.401  16.563   4.480
   21    HD2  LYS   2           HD2      LYS   3  -7.633  17.266   2.290
   22    HD3  LYS   2           HD1      LYS   3  -9.296  17.362   1.714
   23    HE2  LYS   2           HE2      LYS   3  -8.066  19.028   3.906
   24    HE3  LYS   2           HE1      LYS   3  -8.440  19.571   2.271
   25    HZ1  LYS   2           HZ1      LYS   3 -10.152  20.273   3.776
   26    HZ2  LYS   2           HZ2      LYS   3 -10.397  18.693   4.324
   27    HZ3  LYS   2           HZ3      LYS   3 -10.795  19.104   2.732
   28    H    GLU   3           HN       GLU   4 -10.737  12.036   4.996
   29    HA   GLU   3           HA       GLU   4  -9.396  10.152   3.186
   30    HB2  GLU   3           HB2      GLU   4  -8.289  10.369   5.442
   31    HB3  GLU   3           HB1      GLU   4  -9.771   9.759   6.154
   32    HG2  GLU   3           HG2      GLU   4  -9.499   7.655   5.040
   33    HG3  GLU   3           HG1      GLU   4  -8.090   8.264   4.168
   34    HA   PRO   4           HA       PRO   5 -13.612   8.653   2.802
   35    HB2  PRO   4           HB2      PRO   5 -12.381   6.221   1.696
   36    HB3  PRO   4           HB1      PRO   5 -13.494   7.357   0.932
   37    HG2  PRO   4           HG2      PRO   5 -10.916   7.225   0.212
   38    HG3  PRO   4           HG1      PRO   5 -11.798   8.764   0.240
   39    HD2  PRO   4           HD2      PRO   5  -9.875   7.645   2.245
   40    HD3  PRO   4           HD1      PRO   5 -10.008   9.303   1.617
   41    HA   PRO   5           HA       PRO   6 -13.672   6.125   6.440
   42    HB2  PRO   5           HB2      PRO   6 -16.460   5.649   6.272
   43    HB3  PRO   5           HB1      PRO   6 -15.641   6.899   7.203
   44    HG2  PRO   5           HG2      PRO   6 -17.292   7.284   4.968
   45    HG3  PRO   5           HG1      PRO   6 -16.255   8.493   5.732
   46    HD2  PRO   5           HD2      PRO   6 -15.842   6.946   3.248
   47    HD3  PRO   5           HD1      PRO   6 -15.186   8.522   3.728
   48    H    TYR   6           HN       TYR   7 -13.247   4.771   3.793
   49    HA   TYR   6           HA       TYR   7 -14.276   2.137   4.592
   50    HB2  TYR   6           HB2      TYR   7 -14.070   3.067   1.732
   51    HB3  TYR   6           HB1      TYR   7 -14.722   1.536   2.298
   52    HD1  TYR   6           HD1      TYR   7 -16.817   1.647   3.810
   53    HD2  TYR   6           HD2      TYR   7 -15.479   4.896   1.408
   54    HE1  TYR   6           HE1      TYR   7 -19.054   2.662   3.944
   55    HE2  TYR   6           HE2      TYR   7 -17.710   5.917   1.536
   56    HH   TYR   6           HH       TYR   7 -20.086   4.890   3.733
   57    H    VAL   7           HN       VAL   8 -11.649   3.980   4.249
   58    HA   VAL   7           HA       VAL   8  -9.926   2.083   2.914
   59    HB   VAL   7           HB       VAL   8  -8.155   3.686   3.310
   60   HG11  VAL   7          HG11      VAL   8  -9.379   4.126   1.353
   61   HG12  VAL   7          HG12      VAL   8  -9.147   5.680   2.140
   62   HG13  VAL   7          HG13      VAL   8 -10.703   4.856   2.252
   63   HG21  VAL   7          HG21      VAL   8  -8.555   5.808   4.442
   64   HG22  VAL   7          HG22      VAL   8  -8.796   4.439   5.528
   65   HG23  VAL   7          HG23      VAL   8 -10.188   5.280   4.847
   66    H    SER   8           HN       SER   9  -7.988   1.286   3.923
   67    HA   SER   8           HA       SER   9  -7.852   1.521   6.852
   68    HB2  SER   8           HB2      SER   9  -7.141  -1.012   5.352
   69    HB3  SER   8           HB1      SER   9  -7.191  -0.782   7.096
   70    HG   SER   8           HG       SER   9  -9.555  -0.152   6.447
   71    H    SER   9           HN       SER  10  -5.984   2.528   7.351
   72    HA   SER   9           HA       SER  10  -3.955   2.832   5.316
   73    HB2  SER   9           HB2      SER  10  -3.962   3.900   8.148
   74    HB3  SER   9           HB1      SER  10  -2.951   4.451   6.812
   75    HG   SER   9           HG       SER  10  -4.538   5.863   6.692
   76    H    LEU  10           HN       LEU  11  -2.800   0.996   5.044
   77    HA   LEU  10           HA       LEU  11  -1.800  -0.491   7.338
   78    HB2  LEU  10           HB2      LEU  11  -1.047  -0.989   4.472
   79    HB3  LEU  10           HB1      LEU  11  -1.104  -2.134   5.795
   80    HG   LEU  10           HG       LEU  11  -3.419  -0.964   4.266
   81   HD11  LEU  10          HD11      LEU  11  -2.410  -3.779   4.644
   82   HD12  LEU  10          HD12      LEU  11  -2.321  -2.807   3.174
   83   HD13  LEU  10          HD13      LEU  11  -3.887  -3.331   3.790
   84   HD21  LEU  10          HD21      LEU  11  -3.474  -2.612   6.786
   85   HD22  LEU  10          HD22      LEU  11  -4.865  -2.333   5.742
   86   HD23  LEU  10          HD23      LEU  11  -4.095  -0.978   6.566
   87    H    ARG  11           HN       ARG  12   0.312  -0.421   8.074
   88    HA   ARG  11           HA       ARG  12   2.103   1.428   6.654
   89    HB2  ARG  11           HB2      ARG  12   1.701   1.968   9.023
   90    HB3  ARG  11           HB1      ARG  12   2.298   0.381   9.489
   91    HG2  ARG  11           HG2      ARG  12   4.501   0.920   8.670
   92    HG3  ARG  11           HG1      ARG  12   3.927   2.469   8.057
   93    HD2  ARG  11           HD2      ARG  12   5.125   2.734  10.167
   94    HD3  ARG  11           HD1      ARG  12   3.433   3.200  10.327
   95    HE   ARG  11           HE       ARG  12   3.489   0.587  11.104
   96   HH11  ARG  11          HH11      ARG  12   5.270   3.447  12.086
   97   HH12  ARG  11          HH12      ARG  12   5.411   2.935  13.738
   98   HH21  ARG  11          HH21      ARG  12   3.692  -0.077  13.280
   99   HH22  ARG  11          HH22      ARG  12   4.515   0.944  14.414
  100    H    ILE  12           HN       ILE  13   3.162   0.294   5.150
  101    HA   ILE  12           HA       ILE  13   4.122  -2.403   5.726
  102    HB   ILE  12           HB       ILE  13   4.927  -1.148   3.185
  103   HG12  ILE  12          HG12      ILE  13   2.667  -0.178   3.470
  104   HG13  ILE  12          HG11      ILE  13   2.764  -1.289   2.116
  105   HG21  ILE  12          HG21      ILE  13   3.575  -3.760   3.847
  106   HG22  ILE  12          HG22      ILE  13   5.316  -3.498   3.713
  107   HG23  ILE  12          HG23      ILE  13   4.285  -3.318   2.293
  108   HD11  ILE  12          HD11      ILE  13   1.724  -3.041   3.557
  109   HD12  ILE  12          HD12      ILE  13   0.693  -1.641   3.267
  110   HD13  ILE  12          HD13      ILE  13   1.525  -1.818   4.811
  111    H    GLU  13           HN       GLU  14   6.251  -2.929   5.976
  112    HA   GLU  13           HA       GLU  14   8.088  -0.775   6.474
  113    HB2  GLU  13           HB2      GLU  14   8.067  -2.611   8.020
  114    HB3  GLU  13           HB1      GLU  14   8.258  -3.778   6.721
  115    HG2  GLU  13           HG2      GLU  14  10.468  -2.928   6.272
  116    HG3  GLU  13           HG1      GLU  14  10.301  -1.750   7.568
  117    H    ILE  14           HN       ILE  15   9.049   0.141   4.769
  118    HA   ILE  14           HA       ILE  15   9.249  -1.074   2.219
  119    HB   ILE  14           HB       ILE  15  10.685   1.355   3.306
  120   HG12  ILE  14          HG12      ILE  15   8.216   1.163   1.580
  121   HG13  ILE  14          HG11      ILE  15   8.220   1.537   3.301
  122   HG21  ILE  14          HG21      ILE  15  11.610   0.142   1.210
  123   HG22  ILE  14          HG22      ILE  15  11.394   1.894   1.173
  124   HG23  ILE  14          HG23      ILE  15  10.205   0.842   0.402
  125   HD11  ILE  14          HD11      ILE  15   8.070   3.466   1.634
  126   HD12  ILE  14          HD12      ILE  15   9.782   3.189   1.363
  127   HD13  ILE  14          HD13      ILE  15   9.198   3.615   2.972
  128    HA   PRO  15           HA       PRO  16  13.079  -3.357   2.616
  129    HB2  PRO  15           HB2      PRO  16  13.465  -2.838  -0.237
  130    HB3  PRO  15           HB1      PRO  16  13.221  -4.373   0.591
  131    HG2  PRO  15           HG2      PRO  16  11.363  -3.179  -1.024
  132    HG3  PRO  15           HG1      PRO  16  10.970  -4.333   0.251
  133    HD2  PRO  15           HD2      PRO  16  10.620  -1.407   0.179
  134    HD3  PRO  15           HD1      PRO  16   9.740  -2.624   1.108
  135    H    ALA  16           HN       ALA  17  15.295  -2.872   2.604
  136    HA   ALA  16           HA       ALA  17  15.891  -0.072   2.777
  137    HB1  ALA  16           HB1      ALA  17  17.750  -2.433   2.976
  138    HB2  ALA  16           HB2      ALA  17  16.864  -1.712   4.319
  139    HB3  ALA  16           HB3      ALA  17  18.102  -0.780   3.476
  140    H    ASP  17           HN       ASP  18  16.200  -2.491   0.354
  141    HA   ASP  17           HA       ASP  18  18.146  -1.001  -1.205
  142    HB2  ASP  17           HB2      ASP  18  18.160  -3.488  -1.142
  143    HB3  ASP  17           HB1      ASP  18  16.584  -3.492  -1.923
  144    H    ILE  18           HN       ILE  19  14.714  -1.536  -1.065
  145    HA   ILE  18           HA       ILE  19  14.167  -0.337  -3.625
  146    HB   ILE  18           HB       ILE  19  12.469  -1.407  -1.397
  147   HG12  ILE  18          HG12      ILE  19  11.557  -2.833  -3.130
  148   HG13  ILE  18          HG11      ILE  19  12.412  -1.939  -4.375
  149   HG21  ILE  18          HG21      ILE  19  11.389   0.685  -1.983
  150   HG22  ILE  18          HG22      ILE  19  10.436  -0.685  -2.553
  151   HG23  ILE  18          HG23      ILE  19  11.417   0.240  -3.689
  152   HD11  ILE  18          HD11      ILE  19  13.787  -3.479  -2.201
  153   HD12  ILE  18          HD12      ILE  19  14.503  -2.799  -3.659
  154   HD13  ILE  18          HD13      ILE  19  13.385  -4.156  -3.776
  155    H    ALA  19           HN       ALA  20  13.631   1.758  -4.022
  156    HA   ALA  19           HA       ALA  20  14.288   3.686  -2.013
  157    HB1  ALA  19           HB1      ALA  20  13.747   5.348  -3.761
  158    HB2  ALA  19           HB2      ALA  20  13.242   4.025  -4.818
  159    HB3  ALA  19           HB3      ALA  20  14.921   4.137  -4.284
  160    H    ALA  20           HN       ALA  21  13.010   4.966  -0.856
  161    HA   ALA  20           HA       ALA  21  10.150   4.463  -0.839
  162    HB1  ALA  20           HB1      ALA  21  10.180   5.907   1.154
  163    HB2  ALA  20           HB2      ALA  21  11.898   6.199   0.902
  164    HB3  ALA  20           HB3      ALA  21  11.327   4.576   1.281
  165    H    ASN  21           HN       ASN  22   9.360   5.423  -2.702
  166    HA   ASN  21           HA       ASN  22   9.145   8.286  -2.715
  167    HB2  ASN  21           HB2      ASN  22  10.185   8.662  -4.894
  168    HB3  ASN  21           HB1      ASN  22  11.360   7.997  -3.768
  169   HD21  ASN  21          HD21      ASN  22  11.447   7.979  -6.643
  170   HD22  ASN  21          HD22      ASN  22  11.505   6.321  -7.130
  171    H    GLU  22           HN       GLU  23   8.179   8.830  -5.151
  172    HA   GLU  22           HA       GLU  23   5.599   7.742  -5.131
  173    HB2  GLU  22           HB2      GLU  23   6.162   9.920  -6.112
  174    HB3  GLU  22           HB1      GLU  23   7.045   9.119  -7.399
  175    HG2  GLU  22           HG2      GLU  23   4.990   8.096  -8.197
  176    HG3  GLU  22           HG1      GLU  23   4.093   8.860  -6.885
  177    H    ALA  23           HN       ALA  24   8.495   6.697  -6.818
  178    HA   ALA  23           HA       ALA  24   7.381   4.932  -8.669
  179    HB1  ALA  23           HB1      ALA  24   9.759   5.503  -8.631
  180    HB2  ALA  23           HB2      ALA  24   9.519   3.757  -8.615
  181    HB3  ALA  23           HB3      ALA  24   9.954   4.600  -7.130
  182    H    LEU  24           HN       LEU  25   8.222   4.430  -5.263
  183    HA   LEU  24           HA       LEU  25   7.405   1.745  -5.062
  184    HB2  LEU  24           HB2      LEU  25   8.734   2.938  -3.343
  185    HB3  LEU  24           HB1      LEU  25   7.333   3.908  -2.950
  186    HG   LEU  24           HG       LEU  25   7.028   0.961  -2.736
  187   HD11  LEU  24          HD11      LEU  25   8.468   2.583  -0.641
  188   HD12  LEU  24          HD12      LEU  25   9.261   1.462  -1.749
  189   HD13  LEU  24          HD13      LEU  25   8.080   0.863  -0.585
  190   HD21  LEU  24          HD21      LEU  25   6.140   3.293  -1.044
  191   HD22  LEU  24          HD22      LEU  25   5.692   1.608  -0.790
  192   HD23  LEU  24          HD23      LEU  25   5.164   2.452  -2.247
  193    H    LYS  25           HN       LYS  26   5.697   4.789  -4.762
  194    HA   LYS  25           HA       LYS  26   3.242   3.817  -3.833
  195    HB2  LYS  25           HB2      LYS  26   3.720   6.172  -3.761
  196    HB3  LYS  25           HB1      LYS  26   3.916   6.241  -5.502
  197    HG2  LYS  25           HG2      LYS  26   1.495   5.558  -5.672
  198    HG3  LYS  25           HG1      LYS  26   1.391   5.848  -3.939
  199    HD2  LYS  25           HD2      LYS  26   2.192   8.164  -4.338
  200    HD3  LYS  25           HD1      LYS  26   2.098   7.844  -6.072
  201    HE2  LYS  25           HE2      LYS  26  -0.272   7.387  -5.902
  202    HE3  LYS  25           HE1      LYS  26  -0.214   7.588  -4.156
  203    HZ1  LYS  25           HZ1      LYS  26  -1.082   9.552  -5.243
  204    HZ2  LYS  25           HZ2      LYS  26   0.333   9.711  -6.155
  205    HZ3  LYS  25           HZ3      LYS  26   0.384   9.903  -4.476
  206    H    VAL  26           HN       VAL  27   4.309   4.533  -7.157
  207    HA   VAL  26           HA       VAL  27   1.834   3.857  -8.326
  208    HB   VAL  26           HB       VAL  27   2.956   3.924 -10.481
  209   HG11  VAL  26          HG11      VAL  27   3.854   6.089  -8.590
  210   HG12  VAL  26          HG12      VAL  27   2.319   6.020  -9.457
  211   HG13  VAL  26          HG13      VAL  27   3.827   6.221 -10.348
  212   HG21  VAL  26          HG21      VAL  27   5.017   2.792  -9.987
  213   HG22  VAL  26          HG22      VAL  27   5.503   4.076  -8.882
  214   HG23  VAL  26          HG23      VAL  27   5.379   4.401 -10.611
  215    H    ARG  27           HN       ARG  28   4.677   1.901  -7.597
  216    HA   ARG  27           HA       ARG  28   3.812  -0.330  -9.151
  217    HB2  ARG  27           HB2      ARG  28   5.580  -1.565  -8.217
  218    HB3  ARG  27           HB1      ARG  28   6.188   0.082  -8.275
  219    HG2  ARG  27           HG2      ARG  28   5.993   0.358  -5.964
  220    HG3  ARG  27           HG1      ARG  28   4.923  -1.032  -5.799
  221    HD2  ARG  27           HD2      ARG  28   6.971  -1.791  -4.983
  222    HD3  ARG  27           HD1      ARG  28   6.898  -2.425  -6.623
  223    HE   ARG  27           HE       ARG  28   8.240   0.085  -6.549
  224   HH11  ARG  27          HH11      ARG  28   8.637  -3.343  -5.952
  225   HH12  ARG  27          HH12      ARG  28  10.368  -3.295  -6.091
  226   HH21  ARG  27          HH21      ARG  28  10.518   0.151  -6.727
  227   HH22  ARG  27          HH22      ARG  28  11.437  -1.311  -6.547
  228    H    LEU  28           HN       LEU  29   3.320   0.669  -5.794
  229    HA   LEU  28           HA       LEU  29   1.954  -1.754  -5.099
  230    HB2  LEU  28           HB2      LEU  29   2.141   0.884  -3.652
  231    HB3  LEU  28           HB1      LEU  29   1.336  -0.539  -3.026
  232    HG   LEU  28           HG       LEU  29   4.277  -0.350  -3.651
  233   HD11  LEU  28          HD11      LEU  29   3.654   0.953  -1.686
  234   HD12  LEU  28          HD12      LEU  29   4.547  -0.493  -1.220
  235   HD13  LEU  28          HD13      LEU  29   2.795  -0.437  -1.024
  236   HD21  LEU  28          HD21      LEU  29   3.096  -2.578  -3.938
  237   HD22  LEU  28          HD22      LEU  29   2.834  -2.542  -2.200
  238   HD23  LEU  28          HD23      LEU  29   4.477  -2.544  -2.846
  239    H    LEU  29           HN       LEU  30   1.027   1.367  -6.332
  240    HA   LEU  29           HA       LEU  30  -1.739   1.199  -5.880
  241    HB2  LEU  29           HB2      LEU  30  -0.034   2.635  -7.870
  242    HB3  LEU  29           HB1      LEU  30  -1.776   2.655  -8.042
  243    HG   LEU  29           HG       LEU  30  -0.288   3.601  -5.593
  244   HD11  LEU  29          HD11      LEU  30   0.231   5.181  -7.206
  245   HD12  LEU  29          HD12      LEU  30  -1.215   5.841  -6.443
  246   HD13  LEU  29          HD13      LEU  30  -1.334   5.031  -8.002
  247   HD21  LEU  29          HD21      LEU  30  -2.261   3.544  -4.586
  248   HD22  LEU  29          HD22      LEU  30  -3.033   2.949  -6.055
  249   HD23  LEU  29          HD23      LEU  30  -2.880   4.683  -5.778
  250    H    GLU  30           HN       GLU  31   0.177  -0.843  -7.680
  251    HA   GLU  30           HA       GLU  31  -1.940  -1.564  -9.564
  252    HB2  GLU  30           HB2      GLU  31   0.853  -2.687  -9.249
  253    HB3  GLU  30           HB1      GLU  31  -0.280  -3.092 -10.531
  254    HG2  GLU  30           HG2      GLU  31  -0.213  -0.778 -11.317
  255    HG3  GLU  30           HG1      GLU  31   0.930  -0.380 -10.036
  256    H    THR  31           HN       THR  32  -1.899  -2.015  -6.524
  257    HA   THR  31           HA       THR  32  -2.099  -4.949  -6.475
  258    HB   THR  31           HB       THR  32  -2.308  -3.040  -4.136
  259    HG1  THR  31           HG1      THR  32  -0.267  -2.719  -4.842
  260   HG21  THR  31          HG21      THR  32  -2.896  -4.937  -3.093
  261   HG22  THR  31          HG22      THR  32  -1.209  -5.409  -3.271
  262   HG23  THR  31          HG23      THR  32  -2.402  -5.938  -4.455
  263    H    GLU  32           HN       GLU  33  -3.991  -5.977  -5.918
  264    HA   GLU  32           HA       GLU  33  -6.337  -4.646  -6.826
  265    HB2  GLU  32           HB2      GLU  33  -5.642  -7.139  -7.011
  266    HB3  GLU  32           HB1      GLU  33  -6.318  -7.282  -5.401
  267    HG2  GLU  32           HG2      GLU  33  -7.783  -6.350  -7.860
  268    HG3  GLU  32           HG1      GLU  33  -7.912  -7.949  -7.136
  269    H    GLY  33           HN       GLY  34  -7.462  -3.288  -5.651
  270    HA2  GLY  33           HA2      GLY  34  -9.018  -2.937  -3.887
  271    HA3  GLY  33           HA1      GLY  34  -8.038  -3.965  -2.851
  272    H    VAL  34           HN       VAL  35  -6.453  -1.601  -4.815
  273    HA   VAL  34           HA       VAL  35  -5.524  -0.275  -2.401
  274    HB   VAL  34           HB       VAL  35  -3.961   0.923  -3.906
  275   HG11  VAL  34          HG11      VAL  35  -3.208  -1.101  -2.905
  276   HG12  VAL  34          HG12      VAL  35  -2.637  -1.052  -4.571
  277   HG13  VAL  34          HG13      VAL  35  -4.018  -2.064  -4.139
  278   HG21  VAL  34          HG21      VAL  35  -5.214  -0.754  -6.073
  279   HG22  VAL  34          HG22      VAL  35  -3.778   0.254  -6.250
  280   HG23  VAL  34          HG23      VAL  35  -5.341   0.998  -5.912
  281    H    LYS  35           HN       LYS  36  -5.843   1.819  -1.869
  282    HA   LYS  35           HA       LYS  36  -7.621   3.413  -3.596
  283    HB2  LYS  35           HB2      LYS  36  -7.189   3.550  -0.604
  284    HB3  LYS  35           HB1      LYS  36  -8.170   4.683  -1.518
  285    HG2  LYS  35           HG2      LYS  36  -8.694   1.727  -1.413
  286    HG3  LYS  35           HG1      LYS  36  -9.445   2.904  -0.336
  287    HD2  LYS  35           HD2      LYS  36  -9.599   3.114  -3.323
  288    HD3  LYS  35           HD1      LYS  36 -10.780   2.219  -2.376
  289    HE2  LYS  35           HE2      LYS  36 -11.289   4.254  -1.104
  290    HE3  LYS  35           HE1      LYS  36 -10.117   5.143  -2.074
  291    HZ1  LYS  35           HZ1      LYS  36 -12.376   5.477  -2.863
  292    HZ2  LYS  35           HZ2      LYS  36 -12.558   3.818  -3.120
  293    HZ3  LYS  35           HZ3      LYS  36 -11.440   4.697  -4.033
  294    H    GLU  36           HN       GLU  37  -4.787   3.457  -1.502
  295    HA   GLU  36           HA       GLU  37  -3.533   5.563  -2.984
  296    HB2  GLU  36           HB2      GLU  37  -5.045   6.917  -1.655
  297    HB3  GLU  36           HB1      GLU  37  -4.567   6.083  -0.186
  298    HG2  GLU  36           HG2      GLU  37  -3.559   8.270  -0.289
  299    HG3  GLU  36           HG1      GLU  37  -2.321   7.020  -0.392
  300    H    VAL  37           HN       VAL  38  -1.341   5.732  -2.499
  301    HA   VAL  37           HA       VAL  38  -0.317   3.946  -0.385
  302    HB   VAL  37           HB       VAL  38   0.909   4.290  -3.132
  303   HG11  VAL  37          HG11      VAL  38   2.578   4.067  -1.369
  304   HG12  VAL  37          HG12      VAL  38   2.538   2.632  -2.393
  305   HG13  VAL  37          HG13      VAL  38   1.787   2.600  -0.800
  306   HG21  VAL  37          HG21      VAL  38  -0.205   1.775  -1.936
  307   HG22  VAL  37          HG22      VAL  38   0.315   2.047  -3.596
  308   HG23  VAL  37          HG23      VAL  38  -1.142   2.830  -2.985
  309    H    LEU  38           HN       LEU  39   0.617   5.220   1.073
  310    HA   LEU  38           HA       LEU  39   1.802   7.764   0.190
  311    HB2  LEU  38           HB2      LEU  39  -0.090   7.822   1.804
  312    HB3  LEU  38           HB1      LEU  39   0.880   6.924   2.939
  313    HG   LEU  38           HG       LEU  39   1.910   9.535   1.919
  314   HD11  LEU  38          HD11      LEU  39  -0.492   9.810   2.586
  315   HD12  LEU  38          HD12      LEU  39   0.658  10.762   3.524
  316   HD13  LEU  38          HD13      LEU  39  -0.032   9.287   4.205
  317   HD21  LEU  38          HD21      LEU  39   3.118   7.871   3.433
  318   HD22  LEU  38          HD22      LEU  39   2.003   8.399   4.692
  319   HD23  LEU  38          HD23      LEU  39   3.092   9.561   3.931
  320    H    ILE  39           HN       ILE  40   3.958   7.857   0.153
  321    HA   ILE  39           HA       ILE  40   5.506   5.905   1.649
  322    HB   ILE  39           HB       ILE  40   6.295   8.059  -0.308
  323   HG12  ILE  39          HG12      ILE  40   7.263   6.166  -1.548
  324   HG13  ILE  39          HG11      ILE  40   6.751   5.063  -0.281
  325   HG21  ILE  39          HG21      ILE  40   7.953   6.677   1.737
  326   HG22  ILE  39          HG22      ILE  40   8.091   8.312   1.074
  327   HG23  ILE  39          HG23      ILE  40   8.652   6.930   0.131
  328   HD11  ILE  39          HD11      ILE  40   4.500   5.290  -0.858
  329   HD12  ILE  39          HD12      ILE  40   5.357   5.162  -2.393
  330   HD13  ILE  39          HD13      ILE  40   4.800   6.735  -1.821
  331    H    ALA  40           HN       ALA  41   6.115   6.248   3.644
  332    HA   ALA  40           HA       ALA  41   6.509   9.012   4.589
  333    HB1  ALA  40           HB1      ALA  41   5.860   6.511   6.133
  334    HB2  ALA  40           HB2      ALA  41   4.744   7.832   5.788
  335    HB3  ALA  40           HB3      ALA  41   6.131   8.100   6.847
  336    H    GLU  41           HN       GLU  42   8.665   9.272   4.070
  337    HA   GLU  41           HA       GLU  42  10.575   7.177   4.359
  338    HB2  GLU  41           HB2      GLU  42  10.490   9.765   3.189
  339    HB3  GLU  41           HB1      GLU  42  11.874   9.712   4.275
  340    HG2  GLU  41           HG2      GLU  42  11.300   7.708   2.106
  341    HG3  GLU  41           HG1      GLU  42  12.414   9.064   1.960
  342    H    GLU  42           HN       GLU  43   9.340   9.622   6.449
  343    HA   GLU  42           HA       GLU  43  11.408   9.625   8.376
  344    HB2  GLU  42           HB2      GLU  43   9.791  10.627   9.864
  345    HB3  GLU  42           HB1      GLU  43   9.642  11.340   8.264
  346    HG2  GLU  42           HG2      GLU  43   7.737   9.863   7.816
  347    HG3  GLU  42           HG1      GLU  43   7.898   9.228   9.449
  348    H    GLU  43           HN       GLU  44   9.014   7.362   7.540
  349    HA   GLU  43           HA       GLU  44   9.569   5.749   9.942
  350    HB2  GLU  43           HB2      GLU  44   7.298   5.644   7.944
  351    HB3  GLU  43           HB1      GLU  44   7.553   4.434   9.191
  352    HG2  GLU  43           HG2      GLU  44   7.163   7.342   9.814
  353    HG3  GLU  43           HG1      GLU  44   5.823   6.205   9.660
  354    H    HIS  44           HN       HIS  45  10.421   6.160   6.769
  355    HA   HIS  44           HA       HIS  45  10.867   4.897   4.932
  356    HB2  HIS  44           HB2      HIS  45  12.818   4.413   6.498
  357    HB3  HIS  44           HB1      HIS  45  12.015   2.897   6.886
  358    HD1  HIS  44           HD1      HIS  45  13.584   4.708   3.949
  359    HD2  HIS  44           HD2      HIS  45  12.374   0.879   5.042
  360    HE1  HIS  44           HE1      HIS  45  14.512   3.165   2.186
  361    HE2  HIS  44           HE2      HIS  45  13.642   0.879   2.788
  362    H    SER  45           HN       SER  46   8.309   4.666   5.729
  363    HA   SER  45           HA       SER  46   7.669   1.865   5.159
  364    HB2  SER  45           HB2      SER  46   6.301   3.522   7.294
  365    HB3  SER  45           HB1      SER  46   5.927   1.854   6.862
  366    HG   SER  45           HG       SER  46   8.492   2.665   7.764
  367    H    ALA  46           HN       ALA  47   5.459   1.600   4.376
  368    HA   ALA  46           HA       ALA  47   4.533   4.001   2.927
  369    HB1  ALA  46           HB1      ALA  47   5.372   2.108   1.535
  370    HB2  ALA  46           HB2      ALA  47   3.704   2.555   1.210
  371    HB3  ALA  46           HB3      ALA  47   4.063   1.121   2.171
  372    H    TYR  47           HN       TYR  48   2.656   4.801   3.672
  373    HA   TYR  47           HA       TYR  48   0.823   3.029   5.072
  374    HB2  TYR  47           HB2      TYR  48   0.916   6.008   4.651
  375    HB3  TYR  47           HB1      TYR  48  -0.578   5.226   5.161
  376    HD1  TYR  47           HD2      TYR  48   2.934   5.879   6.119
  377    HD2  TYR  47           HD1      TYR  48  -0.870   4.453   7.380
  378    HE1  TYR  47           HE2      TYR  48   3.711   5.883   8.451
  379    HE2  TYR  47           HE1      TYR  48  -0.104   4.448   9.714
  380    HH   TYR  47           HH       TYR  48   1.901   4.395  10.991
  381    H    VAL  48           HN       VAL  49  -0.175   1.732   3.766
  382    HA   VAL  48           HA       VAL  49  -1.161   2.729   1.195
  383    HB   VAL  48           HB       VAL  49  -1.044  -0.135   2.158
  384   HG11  VAL  48          HG11      VAL  49  -2.628   0.643   0.271
  385   HG12  VAL  48          HG12      VAL  49  -1.614  -0.773   0.000
  386   HG13  VAL  48          HG13      VAL  49  -1.158   0.783  -0.688
  387   HG21  VAL  48          HG21      VAL  49   1.198   0.889   2.039
  388   HG22  VAL  48          HG22      VAL  49   0.893   1.305   0.351
  389   HG23  VAL  48          HG23      VAL  49   0.967  -0.387   0.842
  390    H    LYS  49           HN       LYS  50  -3.129   3.527   1.344
  391    HA   LYS  49           HA       LYS  50  -5.018   2.455   3.261
  392    HB2  LYS  49           HB2      LYS  50  -5.376   4.628   1.184
  393    HB3  LYS  49           HB1      LYS  50  -6.510   4.234   2.471
  394    HG2  LYS  49           HG2      LYS  50  -4.703   4.784   4.111
  395    HG3  LYS  49           HG1      LYS  50  -3.747   5.377   2.753
  396    HD2  LYS  49           HD2      LYS  50  -5.717   6.893   2.221
  397    HD3  LYS  49           HD1      LYS  50  -6.352   6.443   3.806
  398    HE2  LYS  49           HE2      LYS  50  -4.297   7.230   4.867
  399    HE3  LYS  49           HE1      LYS  50  -3.653   7.695   3.299
  400    HZ1  LYS  49           HZ1      LYS  50  -5.955   8.878   4.745
  401    HZ2  LYS  49           HZ2      LYS  50  -5.624   9.209   3.116
  402    HZ3  LYS  49           HZ3      LYS  50  -4.503   9.633   4.305
  403    H    ILE  50           HN       ILE  51  -6.219   0.769   2.800
  404    HA   ILE  50           HA       ILE  51  -6.557   0.032  -0.016
  405    HB   ILE  50           HB       ILE  51  -7.077  -2.206   0.745
  406   HG12  ILE  50          HG12      ILE  51  -6.561  -1.208   3.545
  407   HG13  ILE  50          HG11      ILE  51  -8.175  -1.441   2.887
  408   HG21  ILE  50          HG21      ILE  51  -4.693  -1.374   2.272
  409   HG22  ILE  50          HG22      ILE  51  -4.698  -1.282   0.522
  410   HG23  ILE  50          HG23      ILE  51  -4.923  -2.832   1.332
  411   HD11  ILE  50          HD11      ILE  51  -7.723  -3.810   2.604
  412   HD12  ILE  50          HD12      ILE  51  -7.489  -3.306   4.278
  413   HD13  ILE  50          HD13      ILE  51  -6.094  -3.579   3.236
  414    H    ASP  51           HN       ASP  52  -8.571  -1.160  -0.474
  415    HA   ASP  51           HA       ASP  52 -10.859   0.340   0.576
  416    HB2  ASP  51           HB2      ASP  52 -10.473   0.252  -1.888
  417    HB3  ASP  51           HB1      ASP  52 -10.691  -1.487  -1.828
  418    H    SER  52           HN       SER  53 -11.656  -0.608   2.337
  419    HA   SER  52           HA       SER  53 -11.270  -3.338   2.965
  420    HB2  SER  52           HB2      SER  53 -11.534  -1.571   4.666
  421    HB3  SER  52           HB1      SER  53 -13.216  -1.366   4.184
  422    HG   SER  52           HG       SER  53 -13.301  -2.730   5.877
  423    H    LYS  53           HN       LYS  54 -13.519  -1.877   0.919
  424    HA   LYS  53           HA       LYS  54 -15.714  -3.669   1.388
  425    HB2  LYS  53           HB2      LYS  54 -15.107  -1.800  -0.907
  426    HB3  LYS  53           HB1      LYS  54 -16.612  -2.685  -0.715
  427    HG2  LYS  53           HG2      LYS  54 -15.589  -0.770   1.357
  428    HG3  LYS  53           HG1      LYS  54 -16.609  -0.266   0.009
  429    HD2  LYS  53           HD2      LYS  54 -17.336  -2.371   2.043
  430    HD3  LYS  53           HD1      LYS  54 -17.890  -0.698   2.070
  431    HE2  LYS  53           HE2      LYS  54 -18.457  -2.756  -0.062
  432    HE3  LYS  53           HE1      LYS  54 -19.603  -2.106   1.107
  433    HZ1  LYS  53           HZ1      LYS  54 -18.267  -0.599  -1.074
  434    HZ2  LYS  53           HZ2      LYS  54 -19.276   0.092   0.090
  435    HZ3  LYS  53           HZ3      LYS  54 -19.898  -1.036  -1.003
  436    H    VAL  54           HN       VAL  55 -13.014  -3.459  -0.866
  437    HA   VAL  54           HA       VAL  55 -13.986  -5.850  -2.250
  438    HB   VAL  54           HB       VAL  55 -13.388  -3.837  -3.577
  439   HG11  VAL  54          HG11      VAL  55 -11.488  -3.130  -2.178
  440   HG12  VAL  54          HG12      VAL  55 -11.104  -3.197  -3.895
  441   HG13  VAL  54          HG13      VAL  55 -10.551  -4.478  -2.819
  442   HG21  VAL  54          HG21      VAL  55 -13.387  -6.053  -4.597
  443   HG22  VAL  54          HG22      VAL  55 -11.698  -6.265  -4.137
  444   HG23  VAL  54          HG23      VAL  55 -12.143  -5.022  -5.303
  445    H    THR  55           HN       THR  56 -11.388  -4.810  -0.141
  446    HA   THR  55           HA       THR  56 -10.317  -7.531  -0.228
  447    HB   THR  55           HB       THR  56  -8.994  -6.223  -1.844
  448    HG1  THR  55           HG1      THR  56  -7.419  -7.455  -1.216
  449   HG21  THR  55          HG21      THR  56  -8.386  -4.490   0.540
  450   HG22  THR  55          HG22      THR  56  -9.110  -4.008  -0.987
  451   HG23  THR  55          HG23      THR  56  -7.416  -4.495  -0.927
  452    H    ASN  56           HN       ASN  57  -8.345  -7.570   1.432
  453    HA   ASN  56           HA       ASN  57  -9.193  -6.233   3.915
  454    HB2  ASN  56           HB2      ASN  57 -10.136  -8.540   3.838
  455    HB3  ASN  56           HB1      ASN  57  -8.506  -9.172   3.661
  456   HD21  ASN  56          HD21      ASN  57  -8.638 -10.362   5.539
  457   HD22  ASN  56          HD22      ASN  57  -8.597  -9.631   7.106
  458    H    ARG  57           HN       ARG  58  -7.525  -5.896   5.417
  459    HA   ARG  57           HA       ARG  58  -5.203  -4.941   4.427
  460    HB2  ARG  57           HB2      ARG  58  -5.765  -4.257   6.579
  461    HB3  ARG  57           HB1      ARG  58  -5.918  -5.904   7.170
  462    HG2  ARG  57           HG2      ARG  58  -3.486  -6.180   6.991
  463    HG3  ARG  57           HG1      ARG  58  -3.348  -4.514   6.437
  464    HD2  ARG  57           HD2      ARG  58  -2.822  -4.668   8.790
  465    HD3  ARG  57           HD1      ARG  58  -4.307  -3.746   8.560
  466    HE   ARG  57           HE       ARG  58  -4.984  -6.431   8.998
  467   HH11  ARG  57          HH11      ARG  58  -3.574  -3.738  10.727
  468   HH12  ARG  57          HH12      ARG  58  -4.176  -4.245  12.273
  469   HH21  ARG  57          HH21      ARG  58  -5.768  -7.120  11.029
  470   HH22  ARG  57          HH22      ARG  58  -5.437  -6.171  12.442
  471    H    PHE  58           HN       PHE  59  -5.417  -8.160   6.039
  472    HA   PHE  58           HA       PHE  59  -2.621  -8.575   5.790
  473    HB2  PHE  58           HB2      PHE  59  -4.341  -9.725   7.370
  474    HB3  PHE  58           HB1      PHE  59  -4.581 -10.843   6.033
  475    HD1  PHE  58           HD1      PHE  59  -2.306 -11.805   5.031
  476    HD2  PHE  58           HD2      PHE  59  -2.788 -10.269   8.965
  477    HE1  PHE  58           HE1      PHE  59  -0.368 -13.123   5.778
  478    HE2  PHE  58           HE2      PHE  59  -0.844 -11.571   9.718
  479    HZ   PHE  58           HZ       PHE  59   0.368 -13.003   8.124
  480    H    GLU  59           HN       GLU  60  -5.375  -9.618   3.857
  481    HA   GLU  59           HA       GLU  60  -4.020 -11.335   2.094
  482    HB2  GLU  59           HB2      GLU  60  -6.501  -9.657   1.648
  483    HB3  GLU  59           HB1      GLU  60  -5.996 -10.999   0.634
  484    HG2  GLU  59           HG2      GLU  60  -6.328 -12.556   2.422
  485    HG3  GLU  59           HG1      GLU  60  -6.645 -11.250   3.559
  486    H    VAL  60           HN       VAL  61  -4.959  -7.932   1.744
  487    HA   VAL  60           HA       VAL  61  -3.717  -7.622  -0.792
  488    HB   VAL  60           HB       VAL  61  -5.632  -6.261  -0.015
  489   HG11  VAL  60          HG11      VAL  61  -4.709  -5.973   2.315
  490   HG12  VAL  60          HG12      VAL  61  -5.453  -4.561   1.577
  491   HG13  VAL  60          HG13      VAL  61  -3.694  -4.691   1.650
  492   HG21  VAL  60          HG21      VAL  61  -3.164  -4.759  -0.820
  493   HG22  VAL  60          HG22      VAL  61  -4.788  -4.076  -0.845
  494   HG23  VAL  60          HG23      VAL  61  -4.390  -5.448  -1.879
  495    H    GLU  61           HN       GLU  62  -2.717  -6.974   2.517
  496    HA   GLU  61           HA       GLU  62  -0.318  -5.628   2.168
  497    HB2  GLU  61           HB2      GLU  62  -1.539  -6.347   4.313
  498    HB3  GLU  61           HB1      GLU  62  -0.722  -7.881   4.130
  499    HG2  GLU  61           HG2      GLU  62   0.668  -5.238   4.436
  500    HG3  GLU  61           HG1      GLU  62   0.322  -6.353   5.747
  501    H    GLN  62           HN       GLN  63  -0.970  -9.113   2.060
  502    HA   GLN  62           HA       GLN  63   1.654  -9.979   1.637
  503    HB2  GLN  62           HB2      GLN  63  -0.288 -11.440   2.222
  504    HB3  GLN  62           HB1      GLN  63  -0.861 -11.269   0.568
  505    HG2  GLN  62           HG2      GLN  63   1.128 -12.349  -0.272
  506    HG3  GLN  62           HG1      GLN  63   1.796 -12.441   1.358
  507   HE21  GLN  62          HE21      GLN  63   1.949 -14.667   1.322
  508   HE22  GLN  62          HE22      GLN  63   0.561 -15.697   1.390
  509    H    ALA  63           HN       ALA  64  -0.888  -9.078  -0.677
  510    HA   ALA  63           HA       ALA  64   0.660  -9.499  -3.004
  511    HB1  ALA  63           HB1      ALA  64  -1.545  -7.477  -2.611
  512    HB2  ALA  63           HB2      ALA  64  -1.782  -9.178  -3.014
  513    HB3  ALA  63           HB3      ALA  64  -0.955  -8.111  -4.149
  514    H    ILE  64           HN       ILE  65   0.309  -6.692  -0.884
  515    HA   ILE  64           HA       ILE  65   1.807  -4.868  -2.388
  516    HB   ILE  64           HB       ILE  65   0.929  -5.019   0.431
  517   HG12  ILE  64          HG12      ILE  65   0.751  -2.419  -0.567
  518   HG13  ILE  64          HG11      ILE  65   0.453  -3.453  -1.956
  519   HG21  ILE  64          HG21      ILE  65   3.267  -4.465   0.768
  520   HG22  ILE  64          HG22      ILE  65   2.242  -3.072   1.112
  521   HG23  ILE  64          HG23      ILE  65   3.143  -3.153  -0.401
  522   HD11  ILE  64          HD11      ILE  65  -1.327  -4.571  -0.773
  523   HD12  ILE  64          HD12      ILE  65  -1.605  -2.831  -0.827
  524   HD13  ILE  64          HD13      ILE  65  -1.019  -3.585   0.656
  525    H    ARG  65           HN       ARG  66   2.908  -7.061   0.244
  526    HA   ARG  65           HA       ARG  66   5.562  -6.154   0.151
  527    HB2  ARG  65           HB2      ARG  66   6.168  -8.385   1.153
  528    HB3  ARG  65           HB1      ARG  66   5.062  -7.384   2.075
  529    HG2  ARG  65           HG2      ARG  66   4.106  -9.437   2.305
  530    HG3  ARG  65           HG1      ARG  66   3.274  -8.877   0.855
  531    HD2  ARG  65           HD2      ARG  66   4.099 -11.208   0.676
  532    HD3  ARG  65           HD1      ARG  66   4.759 -10.132  -0.551
  533    HE   ARG  65           HE       ARG  66   6.592 -10.148   1.516
  534   HH11  ARG  65          HH11      ARG  66   5.163 -12.541  -0.606
  535   HH12  ARG  65          HH12      ARG  66   6.592 -13.521  -0.675
  536   HH21  ARG  65          HH21      ARG  66   8.474 -11.443   1.425
  537   HH22  ARG  65          HH22      ARG  66   8.468 -12.902   0.488
  538    H    GLN  66           HN       GLN  67   3.932  -8.627  -1.703
  539    HA   GLN  66           HA       GLN  67   6.186  -9.746  -2.941
  540    HB2  GLN  66           HB2      GLN  67   3.374  -9.435  -3.967
  541    HB3  GLN  66           HB1      GLN  67   4.605 -10.445  -4.723
  542    HG2  GLN  66           HG2      GLN  67   4.777 -11.789  -2.723
  543    HG3  GLN  66           HG1      GLN  67   3.620 -10.751  -1.909
  544   HE21  GLN  66          HE21      GLN  67   3.360 -11.737  -5.252
  545   HE22  GLN  66          HE22      GLN  67   1.956 -12.722  -5.047
  546    H    ALA  67           HN       ALA  68   4.299  -6.880  -3.766
  547    HA   ALA  67           HA       ALA  68   5.578  -6.353  -6.234
  548    HB1  ALA  67           HB1      ALA  68   4.227  -4.532  -4.262
  549    HB2  ALA  67           HB2      ALA  68   3.543  -5.229  -5.730
  550    HB3  ALA  67           HB3      ALA  68   4.804  -4.001  -5.841
  551    H    LEU  68           HN       LEU  69   6.612  -5.988  -2.974
  552    HA   LEU  68           HA       LEU  69   8.877  -4.291  -3.735
  553    HB2  LEU  68           HB2      LEU  69   7.939  -5.271  -1.038
  554    HB3  LEU  68           HB1      LEU  69   9.306  -4.205  -1.299
  555    HG   LEU  68           HG       LEU  69   6.519  -3.465  -2.166
  556   HD11  LEU  68          HD11      LEU  69   6.656  -3.969   0.286
  557   HD12  LEU  68          HD12      LEU  69   6.208  -2.311  -0.110
  558   HD13  LEU  68          HD13      LEU  69   7.850  -2.679   0.418
  559   HD21  LEU  68          HD21      LEU  69   8.626  -2.315  -3.051
  560   HD22  LEU  68          HD22      LEU  69   8.810  -1.674  -1.419
  561   HD23  LEU  68          HD23      LEU  69   7.369  -1.291  -2.361
  562    H    GLU  69           HN       GLU  70   8.054  -7.538  -2.990
  563    HA   GLU  69           HA       GLU  70  10.738  -8.351  -2.282
  564    HB2  GLU  69           HB2      GLU  70   8.746  -9.214  -1.099
  565    HB3  GLU  69           HB1      GLU  70   8.220  -9.994  -2.588
  566    HG2  GLU  69           HG2      GLU  70   9.290 -11.614  -1.249
  567    HG3  GLU  69           HG1      GLU  70  10.363 -11.247  -2.590
  Start of MODEL   11
    1    H1   MET   0           HT1      MET   1  -5.589  14.961  -3.657
    2    H2   MET   0           HT2      MET   1  -6.104  13.357  -3.770
    3    H3   MET   0           HT3      MET   1  -4.834  13.764  -2.736
    4    HA   MET   0           HA       MET   1  -6.843  13.397  -1.482
    5    HB2  MET   0           HB2      MET   1  -5.232  15.079  -0.679
    6    HB3  MET   0           HB1      MET   1  -6.042  16.311  -1.633
    7    HG2  MET   0           HG2      MET   1  -8.079  15.974  -0.299
    8    HG3  MET   0           HG1      MET   1  -7.213  14.800   0.687
    9    HE1  MET   0           HE1      MET   1  -6.205  19.305   0.519
   10    HE2  MET   0           HE2      MET   1  -7.510  18.543  -0.395
   11    HE3  MET   0           HE3      MET   1  -5.828  18.205  -0.807
   12    H    GLY   1           HN       GLY   2  -8.959  13.134  -1.834
   13    HA2  GLY   1           HA2      GLY   2 -10.731  15.200  -2.447
   14    HA3  GLY   1           HA1      GLY   2 -10.318  14.416  -3.963
   15    H    LYS   2           HN       LYS   3 -10.091  11.771  -3.060
   16    HA   LYS   2           HA       LYS   3 -12.825  11.222  -2.130
   17    HB2  LYS   2           HB2      LYS   3 -11.328   9.843  -4.359
   18    HB3  LYS   2           HB1      LYS   3 -12.802   9.214  -3.639
   19    HG2  LYS   2           HG2      LYS   3 -13.964  11.290  -4.313
   20    HG3  LYS   2           HG1      LYS   3 -12.489  11.808  -5.129
   21    HD2  LYS   2           HD2      LYS   3 -12.590   9.873  -6.594
   22    HD3  LYS   2           HD1      LYS   3 -14.017   9.277  -5.742
   23    HE2  LYS   2           HE2      LYS   3 -15.229  11.315  -6.411
   24    HE3  LYS   2           HE1      LYS   3 -13.808  11.845  -7.308
   25    HZ1  LYS   2           HZ1      LYS   3 -14.007   9.888  -8.705
   26    HZ2  LYS   2           HZ2      LYS   3 -15.427  10.804  -8.753
   27    HZ3  LYS   2           HZ3      LYS   3 -15.371   9.379  -7.845
   28    H    GLU   3           HN       GLU   4 -12.485  10.536  -0.118
   29    HA   GLU   3           HA       GLU   4 -10.829   8.130   0.169
   30    HB2  GLU   3           HB2      GLU   4  -9.752  10.139   1.219
   31    HB3  GLU   3           HB1      GLU   4 -11.143  10.264   2.287
   32    HG2  GLU   3           HG2      GLU   4 -10.651   8.118   3.255
   33    HG3  GLU   3           HG1      GLU   4  -9.332   7.870   2.113
   34    HA   PRO   4           HA       PRO   5 -15.169   7.118   1.103
   35    HB2  PRO   4           HB2      PRO   5 -14.748   4.408   0.840
   36    HB3  PRO   4           HB1      PRO   5 -15.189   5.483  -0.481
   37    HG2  PRO   4           HG2      PRO   5 -12.540   4.375   0.272
   38    HG3  PRO   4           HG1      PRO   5 -13.219   4.681  -1.336
   39    HD2  PRO   4           HD2      PRO   5 -11.402   6.293  -0.175
   40    HD3  PRO   4           HD1      PRO   5 -12.625   6.900  -1.299
   41    HA   PRO   5           HA       PRO   6 -14.730   6.070   5.380
   42    HB2  PRO   5           HB2      PRO   6 -17.348   4.773   5.339
   43    HB3  PRO   5           HB1      PRO   6 -16.864   6.283   6.110
   44    HG2  PRO   5           HG2      PRO   6 -18.501   6.214   3.966
   45    HG3  PRO   5           HG1      PRO   6 -17.370   7.547   4.261
   46    HD2  PRO   5           HD2      PRO   6 -17.110   5.216   2.395
   47    HD3  PRO   5           HD1      PRO   6 -16.703   6.924   2.131
   48    H    TYR   6           HN       TYR   7 -13.968   3.973   3.306
   49    HA   TYR   6           HA       TYR   7 -14.265   1.615   5.040
   50    HB2  TYR   6           HB2      TYR   7 -14.093   1.510   2.036
   51    HB3  TYR   6           HB1      TYR   7 -14.473   0.190   3.131
   52    HD1  TYR   6           HD1      TYR   7 -16.649   0.452   4.535
   53    HD2  TYR   6           HD2      TYR   7 -15.813   2.702   1.023
   54    HE1  TYR   6           HE1      TYR   7 -19.043   0.940   4.281
   55    HE2  TYR   6           HE2      TYR   7 -18.205   3.198   0.764
   56    HH   TYR   6           HH       TYR   7 -20.497   2.533   3.239
   57    H    VAL   7           HN       VAL   8 -12.180   3.854   4.116
   58    HA   VAL   7           HA       VAL   8 -10.018   2.287   3.120
   59    HB   VAL   7           HB       VAL   8  -8.651   4.321   3.503
   60   HG11  VAL   7          HG11      VAL   8  -9.775   3.958   1.387
   61   HG12  VAL   7          HG12      VAL   8  -9.745   5.674   1.787
   62   HG13  VAL   7          HG13      VAL   8 -11.226   4.743   2.007
   63   HG21  VAL   7          HG21      VAL   8  -9.836   5.206   5.447
   64   HG22  VAL   7          HG22      VAL   8 -11.247   5.531   4.438
   65   HG23  VAL   7          HG23      VAL   8  -9.740   6.402   4.154
   66    H    SER   8           HN       SER   9  -8.345   1.422   4.132
   67    HA   SER   8           HA       SER   9  -7.938   2.020   6.983
   68    HB2  SER   8           HB2      SER   9  -8.963  -0.276   6.589
   69    HB3  SER   8           HB1      SER   9  -7.483  -0.703   5.730
   70    HG   SER   8           HG       SER   9  -7.877  -0.168   8.462
   71    H    SER   9           HN       SER  10  -5.905   2.699   7.393
   72    HA   SER   9           HA       SER  10  -4.050   2.797   5.166
   73    HB2  SER   9           HB2      SER  10  -3.749   3.965   7.942
   74    HB3  SER   9           HB1      SER  10  -2.790   4.367   6.518
   75    HG   SER   9           HG       SER  10  -5.140   5.390   7.311
   76    H    LEU  10           HN       LEU  11  -2.699   1.183   4.849
   77    HA   LEU  10           HA       LEU  11  -1.858  -0.500   7.089
   78    HB2  LEU  10           HB2      LEU  11  -0.996  -0.882   4.244
   79    HB3  LEU  10           HB1      LEU  11  -1.161  -2.085   5.503
   80    HG   LEU  10           HG       LEU  11  -3.331  -0.797   3.867
   81   HD11  LEU  10          HD11      LEU  11  -2.396  -3.635   4.253
   82   HD12  LEU  10          HD12      LEU  11  -2.250  -2.642   2.802
   83   HD13  LEU  10          HD13      LEU  11  -3.839  -3.168   3.353
   84   HD21  LEU  10          HD21      LEU  11  -3.673  -2.540   6.305
   85   HD22  LEU  10          HD22      LEU  11  -4.954  -2.076   5.190
   86   HD23  LEU  10          HD23      LEU  11  -4.137  -0.847   6.155
   87    H    ARG  11           HN       ARG  12   0.175  -0.436   7.931
   88    HA   ARG  11           HA       ARG  12   2.073   1.441   6.724
   89    HB2  ARG  11           HB2      ARG  12   1.586   1.684   9.139
   90    HB3  ARG  11           HB1      ARG  12   2.184   0.057   9.416
   91    HG2  ARG  11           HG2      ARG  12   4.394   0.753   8.596
   92    HG3  ARG  11           HG1      ARG  12   3.780   2.402   8.439
   93    HD2  ARG  11           HD2      ARG  12   3.736   0.830  11.006
   94    HD3  ARG  11           HD1      ARG  12   5.025   1.933  10.557
   95    HE   ARG  11           HE       ARG  12   3.218   3.687  10.469
   96   HH11  ARG  11          HH11      ARG  12   3.003   0.888  12.571
   97   HH12  ARG  11          HH12      ARG  12   1.928   1.662  13.688
   98   HH21  ARG  11          HH21      ARG  12   1.821   4.697  11.938
   99   HH22  ARG  11          HH22      ARG  12   1.253   3.827  13.330
  100    H    ILE  12           HN       ILE  13   3.115   0.427   5.113
  101    HA   ILE  12           HA       ILE  13   3.929  -2.358   5.385
  102    HB   ILE  12           HB       ILE  13   4.699  -0.687   3.033
  103   HG12  ILE  12          HG12      ILE  13   2.371  -0.047   3.361
  104   HG13  ILE  12          HG11      ILE  13   2.522  -1.091   1.956
  105   HG21  ILE  12          HG21      ILE  13   3.751  -3.519   3.344
  106   HG22  ILE  12          HG22      ILE  13   5.426  -2.995   3.186
  107   HG23  ILE  12          HG23      ILE  13   4.303  -2.782   1.841
  108   HD11  ILE  12          HD11      ILE  13   1.730  -2.990   3.320
  109   HD12  ILE  12          HD12      ILE  13   0.556  -1.684   3.201
  110   HD13  ILE  12          HD13      ILE  13   1.502  -1.886   4.675
  111    H    GLU  13           HN       GLU  14   5.936  -2.936   5.991
  112    HA   GLU  13           HA       GLU  14   7.943  -0.936   6.434
  113    HB2  GLU  13           HB2      GLU  14   9.356  -2.799   7.184
  114    HB3  GLU  13           HB1      GLU  14   7.775  -2.843   7.947
  115    HG2  GLU  13           HG2      GLU  14   7.082  -4.573   6.340
  116    HG3  GLU  13           HG1      GLU  14   8.704  -4.559   5.659
  117    H    ILE  14           HN       ILE  15   9.242  -0.154   4.944
  118    HA   ILE  14           HA       ILE  15   9.428  -1.477   2.368
  119    HB   ILE  14           HB       ILE  15  10.532   1.172   3.315
  120   HG12  ILE  14          HG12      ILE  15   8.135   0.623   1.562
  121   HG13  ILE  14          HG11      ILE  15   8.023   0.892   3.293
  122   HG21  ILE  14          HG21      ILE  15  11.614  -0.038   1.296
  123   HG22  ILE  14          HG22      ILE  15  11.157   1.662   1.132
  124   HG23  ILE  14          HG23      ILE  15  10.126   0.404   0.450
  125   HD11  ILE  14          HD11      ILE  15   9.185   2.857   1.355
  126   HD12  ILE  14          HD12      ILE  15   8.840   3.123   3.058
  127   HD13  ILE  14          HD13      ILE  15   7.519   2.882   1.914
  128    HA   PRO  15           HA       PRO  16  13.402  -3.355   3.130
  129    HB2  PRO  15           HB2      PRO  16  14.007  -2.885   0.312
  130    HB3  PRO  15           HB1      PRO  16  13.811  -4.406   1.163
  131    HG2  PRO  15           HG2      PRO  16  12.025  -3.385  -0.656
  132    HG3  PRO  15           HG1      PRO  16  11.627  -4.584   0.572
  133    HD2  PRO  15           HD2      PRO  16  10.945  -1.736   0.442
  134    HD3  PRO  15           HD1      PRO  16  10.176  -3.032   1.360
  135    H    ALA  16           HN       ALA  17  15.416  -2.557   3.584
  136    HA   ALA  16           HA       ALA  17  15.815   0.245   3.522
  137    HB1  ALA  16           HB1      ALA  17  17.823  -1.938   4.060
  138    HB2  ALA  16           HB2      ALA  17  16.782  -1.174   5.258
  139    HB3  ALA  16           HB3      ALA  17  18.025  -0.230   4.439
  140    H    ASP  17           HN       ASP  18  16.702  -2.328   1.367
  141    HA   ASP  17           HA       ASP  18  18.600  -0.791  -0.145
  142    HB2  ASP  17           HB2      ASP  18  18.760  -3.226  -0.111
  143    HB3  ASP  17           HB1      ASP  18  17.148  -3.364  -0.805
  144    H    ILE  18           HN       ILE  19  15.195  -1.610  -0.427
  145    HA   ILE  18           HA       ILE  19  14.867  -0.365  -2.985
  146    HB   ILE  18           HB       ILE  19  12.966  -1.565  -0.995
  147   HG12  ILE  18          HG12      ILE  19  12.389  -3.048  -2.828
  148   HG13  ILE  18          HG11      ILE  19  13.359  -2.109  -3.945
  149   HG21  ILE  18          HG21      ILE  19  11.834   0.440  -1.744
  150   HG22  ILE  18          HG22      ILE  19  11.077  -0.985  -2.454
  151   HG23  ILE  18          HG23      ILE  19  12.152   0.017  -3.426
  152   HD11  ILE  18          HD11      ILE  19  14.520  -3.535  -1.582
  153   HD12  ILE  18          HD12      ILE  19  15.372  -2.857  -2.967
  154   HD13  ILE  18          HD13      ILE  19  14.346  -4.278  -3.169
  155    H    ALA  19           HN       ALA  20  14.512   1.731  -3.374
  156    HA   ALA  19           HA       ALA  20  14.568   3.607  -1.228
  157    HB1  ALA  19           HB1      ALA  20  14.177   5.274  -3.099
  158    HB2  ALA  19           HB2      ALA  20  14.253   3.894  -4.197
  159    HB3  ALA  19           HB3      ALA  20  15.644   4.298  -3.193
  160    H    ALA  20           HN       ALA  21  12.984   4.748  -0.320
  161    HA   ALA  20           HA       ALA  21  10.230   4.050  -0.887
  162    HB1  ALA  20           HB1      ALA  21   9.809   5.632   1.045
  163    HB2  ALA  20           HB2      ALA  21  11.561   5.767   1.192
  164    HB3  ALA  20           HB3      ALA  21  10.777   4.206   1.411
  165    H    ASN  21           HN       ASN  22   9.545   4.978  -2.759
  166    HA   ASN  21           HA       ASN  22   9.342   7.850  -2.873
  167    HB2  ASN  21           HB2      ASN  22  10.495   8.119  -5.016
  168    HB3  ASN  21           HB1      ASN  22  11.601   7.503  -3.795
  169   HD21  ASN  21          HD21      ASN  22  12.438   5.462  -4.010
  170   HD22  ASN  21          HD22      ASN  22  12.253   4.509  -5.441
  171    H    GLU  22           HN       GLU  23   8.658   8.171  -5.532
  172    HA   GLU  22           HA       GLU  23   5.965   7.371  -5.444
  173    HB2  GLU  22           HB2      GLU  23   6.862   9.379  -6.619
  174    HB3  GLU  22           HB1      GLU  23   7.516   8.318  -7.859
  175    HG2  GLU  22           HG2      GLU  23   5.242   7.542  -8.365
  176    HG3  GLU  22           HG1      GLU  23   4.610   8.661  -7.158
  177    H    ALA  23           HN       ALA  24   8.763   5.864  -6.978
  178    HA   ALA  23           HA       ALA  24   7.433   4.179  -8.783
  179    HB1  ALA  23           HB1      ALA  24   9.850   4.474  -8.816
  180    HB2  ALA  23           HB2      ALA  24   9.433   2.765  -8.688
  181    HB3  ALA  23           HB3      ALA  24   9.985   3.646  -7.265
  182    H    LEU  24           HN       LEU  25   8.236   3.729  -5.371
  183    HA   LEU  24           HA       LEU  25   7.142   1.166  -5.038
  184    HB2  LEU  24           HB2      LEU  25   8.570   2.308  -3.370
  185    HB3  LEU  24           HB1      LEU  25   7.284   3.451  -3.062
  186    HG   LEU  24           HG       LEU  25   6.582   0.605  -2.671
  187   HD11  LEU  24          HD11      LEU  25   8.429   2.073  -0.792
  188   HD12  LEU  24          HD12      LEU  25   8.854   0.668  -1.768
  189   HD13  LEU  24          HD13      LEU  25   7.656   0.519  -0.484
  190   HD21  LEU  24          HD21      LEU  25   6.143   3.139  -1.092
  191   HD22  LEU  24          HD22      LEU  25   5.456   1.561  -0.706
  192   HD23  LEU  24          HD23      LEU  25   4.995   2.381  -2.197
  193    H    LYS  25           HN       LYS  26   5.764   4.387  -4.745
  194    HA   LYS  25           HA       LYS  26   3.213   3.724  -3.850
  195    HB2  LYS  25           HB2      LYS  26   4.013   6.003  -3.840
  196    HB3  LYS  25           HB1      LYS  26   4.143   6.008  -5.590
  197    HG2  LYS  25           HG2      LYS  26   1.667   5.649  -5.671
  198    HG3  LYS  25           HG1      LYS  26   1.647   5.930  -3.933
  199    HD2  LYS  25           HD2      LYS  26   2.707   8.134  -4.326
  200    HD3  LYS  25           HD1      LYS  26   2.567   7.847  -6.062
  201    HE2  LYS  25           HE2      LYS  26   0.155   7.680  -5.874
  202    HE3  LYS  25           HE1      LYS  26   0.255   7.888  -4.130
  203    HZ1  LYS  25           HZ1      LYS  26   1.081   9.897  -6.152
  204    HZ2  LYS  25           HZ2      LYS  26   1.141  10.104  -4.475
  205    HZ3  LYS  25           HZ3      LYS  26  -0.350   9.941  -5.253
  206    H    VAL  26           HN       VAL  27   4.340   4.236  -7.190
  207    HA   VAL  26           HA       VAL  27   1.769   3.919  -8.314
  208    HB   VAL  26           HB       VAL  27   2.880   3.849 -10.491
  209   HG11  VAL  26          HG11      VAL  27   3.965   5.897  -8.571
  210   HG12  VAL  26          HG12      VAL  27   2.456   5.996  -9.480
  211   HG13  VAL  26          HG13      VAL  27   4.002   6.047 -10.328
  212   HG21  VAL  26          HG21      VAL  27   4.815   2.515 -10.000
  213   HG22  VAL  26          HG22      VAL  27   5.418   3.729  -8.875
  214   HG23  VAL  26          HG23      VAL  27   5.347   4.085 -10.600
  215    H    ARG  27           HN       ARG  28   4.374   1.613  -7.704
  216    HA   ARG  27           HA       ARG  28   3.136  -0.458  -9.243
  217    HB2  ARG  27           HB2      ARG  28   4.776  -1.938  -8.370
  218    HB3  ARG  27           HB1      ARG  28   5.576  -0.398  -8.631
  219    HG2  ARG  27           HG2      ARG  28   5.334   0.088  -6.219
  220    HG3  ARG  27           HG1      ARG  28   4.649  -1.522  -6.001
  221    HD2  ARG  27           HD2      ARG  28   6.985  -1.585  -5.442
  222    HD3  ARG  27           HD1      ARG  28   6.727  -2.485  -6.936
  223    HE   ARG  27           HE       ARG  28   7.420   0.259  -7.400
  224   HH11  ARG  27          HH11      ARG  28   8.720  -2.929  -6.747
  225   HH12  ARG  27          HH12      ARG  28  10.253  -2.588  -7.485
  226   HH21  ARG  27          HH21      ARG  28   9.436   0.699  -8.377
  227   HH22  ARG  27          HH22      ARG  28  10.667  -0.523  -8.394
  228    H    LEU  28           HN       LEU  29   2.993   0.542  -5.857
  229    HA   LEU  28           HA       LEU  29   1.347  -1.633  -5.047
  230    HB2  LEU  28           HB2      LEU  29   1.697   1.074  -3.767
  231    HB3  LEU  28           HB1      LEU  29   0.975  -0.335  -3.014
  232    HG   LEU  28           HG       LEU  29   3.855   0.099  -3.741
  233   HD11  LEU  28          HD11      LEU  29   3.210   1.016  -1.629
  234   HD12  LEU  28          HD12      LEU  29   4.184  -0.428  -1.356
  235   HD13  LEU  28          HD13      LEU  29   2.432  -0.495  -1.163
  236   HD21  LEU  28          HD21      LEU  29   2.436  -2.441  -3.116
  237   HD22  LEU  28          HD22      LEU  29   4.151  -2.240  -2.795
  238   HD23  LEU  28          HD23      LEU  29   3.536  -2.100  -4.442
  239    H    LEU  29           HN       LEU  30   0.771   1.525  -6.424
  240    HA   LEU  29           HA       LEU  30  -1.990   1.710  -5.919
  241    HB2  LEU  29           HB2      LEU  30  -0.128   2.921  -7.910
  242    HB3  LEU  29           HB1      LEU  30  -1.851   3.132  -8.121
  243    HG   LEU  29           HG       LEU  30  -0.317   3.939  -5.654
  244   HD11  LEU  29          HD11      LEU  30   0.403   5.459  -7.225
  245   HD12  LEU  29          HD12      LEU  30  -1.025   6.258  -6.571
  246   HD13  LEU  29          HD13      LEU  30  -1.115   5.420  -8.119
  247   HD21  LEU  29          HD21      LEU  30  -2.297   4.117  -4.683
  248   HD22  LEU  29          HD22      LEU  30  -3.102   3.569  -6.152
  249   HD23  LEU  29          HD23      LEU  30  -2.780   5.286  -5.909
  250    H    GLU  30           HN       GLU  31  -0.324  -0.497  -7.849
  251    HA   GLU  30           HA       GLU  31  -2.594  -0.974  -9.621
  252    HB2  GLU  30           HB2      GLU  31   0.129  -2.274  -9.496
  253    HB3  GLU  30           HB1      GLU  31  -1.094  -2.577 -10.725
  254    HG2  GLU  30           HG2      GLU  31   0.120   0.118 -10.207
  255    HG3  GLU  30           HG1      GLU  31   0.727  -1.024 -11.398
  256    H    THR  31           HN       THR  32  -2.241  -1.681  -6.556
  257    HA   THR  31           HA       THR  32  -2.487  -4.588  -6.725
  258    HB   THR  31           HB       THR  32  -2.441  -2.896  -4.228
  259    HG1  THR  31           HG1      THR  32  -0.520  -2.396  -5.072
  260   HG21  THR  31          HG21      THR  32  -2.690  -4.864  -3.234
  261   HG22  THR  31          HG22      THR  32  -1.110  -5.324  -3.866
  262   HG23  THR  31          HG23      THR  32  -2.571  -5.719  -4.770
  263    H    GLU  32           HN       GLU  33  -4.318  -5.706  -5.912
  264    HA   GLU  32           HA       GLU  33  -6.752  -4.447  -6.625
  265    HB2  GLU  32           HB2      GLU  33  -6.382  -6.851  -6.933
  266    HB3  GLU  32           HB1      GLU  33  -6.315  -7.070  -5.189
  267    HG2  GLU  32           HG2      GLU  33  -8.633  -6.312  -5.008
  268    HG3  GLU  32           HG1      GLU  33  -8.700  -6.114  -6.758
  269    H    GLY  33           HN       GLY  34  -7.881  -3.075  -5.468
  270    HA2  GLY  33           HA2      GLY  34  -9.316  -2.635  -3.620
  271    HA3  GLY  33           HA1      GLY  34  -8.268  -3.615  -2.610
  272    H    VAL  34           HN       VAL  35  -6.368  -1.642  -4.520
  273    HA   VAL  34           HA       VAL  35  -5.719   0.040  -2.276
  274    HB   VAL  34           HB       VAL  35  -4.015   1.038  -3.668
  275   HG11  VAL  34          HG11      VAL  35  -3.395  -1.016  -2.677
  276   HG12  VAL  34          HG12      VAL  35  -2.757  -1.001  -4.312
  277   HG13  VAL  34          HG13      VAL  35  -4.202  -1.940  -3.933
  278   HG21  VAL  34          HG21      VAL  35  -5.213  -0.530  -5.942
  279   HG22  VAL  34          HG22      VAL  35  -3.696   0.366  -6.005
  280   HG23  VAL  34          HG23      VAL  35  -5.218   1.224  -5.761
  281    H    LYS  35           HN       LYS  36  -6.256   2.116  -1.938
  282    HA   LYS  35           HA       LYS  36  -7.878   3.461  -3.999
  283    HB2  LYS  35           HB2      LYS  36  -7.881   3.852  -1.002
  284    HB3  LYS  35           HB1      LYS  36  -8.840   4.786  -2.140
  285    HG2  LYS  35           HG2      LYS  36  -9.062   1.823  -1.654
  286    HG3  LYS  35           HG1      LYS  36 -10.170   3.060  -1.062
  287    HD2  LYS  35           HD2      LYS  36  -9.603   2.533  -3.967
  288    HD3  LYS  35           HD1      LYS  36 -10.979   1.874  -3.091
  289    HE2  LYS  35           HE2      LYS  36 -11.679   4.201  -2.567
  290    HE3  LYS  35           HE1      LYS  36 -10.371   4.782  -3.597
  291    HZ1  LYS  35           HZ1      LYS  36 -12.601   3.042  -4.501
  292    HZ2  LYS  35           HZ2      LYS  36 -11.378   3.681  -5.474
  293    HZ3  LYS  35           HZ3      LYS  36 -12.508   4.712  -4.753
  294    H    GLU  36           HN       GLU  37  -5.113   3.622  -1.928
  295    HA   GLU  36           HA       GLU  37  -3.960   5.831  -3.263
  296    HB2  GLU  36           HB2      GLU  37  -5.388   7.283  -2.172
  297    HB3  GLU  36           HB1      GLU  37  -5.470   6.292  -0.729
  298    HG2  GLU  36           HG2      GLU  37  -3.345   7.027  -0.014
  299    HG3  GLU  36           HG1      GLU  37  -3.040   7.851  -1.544
  300    H    VAL  37           HN       VAL  38  -1.758   6.034  -2.744
  301    HA   VAL  37           HA       VAL  38  -0.779   4.270  -0.586
  302    HB   VAL  37           HB       VAL  38   0.487   4.572  -3.318
  303   HG11  VAL  37          HG11      VAL  38   2.152   4.381  -1.541
  304   HG12  VAL  37          HG12      VAL  38   2.104   2.911  -2.516
  305   HG13  VAL  37          HG13      VAL  38   1.342   2.941  -0.928
  306   HG21  VAL  37          HG21      VAL  38  -0.538   2.033  -2.109
  307   HG22  VAL  37          HG22      VAL  38  -0.160   2.378  -3.794
  308   HG23  VAL  37          HG23      VAL  38  -1.592   3.087  -3.046
  309    H    LEU  38           HN       LEU  39   0.444   5.299   0.831
  310    HA   LEU  38           HA       LEU  39   1.711   7.847   0.072
  311    HB2  LEU  38           HB2      LEU  39   0.592   6.790   2.616
  312    HB3  LEU  38           HB1      LEU  39   1.919   7.930   2.694
  313    HG   LEU  38           HG       LEU  39   0.512   9.510   1.329
  314   HD11  LEU  38          HD11      LEU  39  -1.624   7.490   1.979
  315   HD12  LEU  38          HD12      LEU  39  -1.052   7.933   0.372
  316   HD13  LEU  38          HD13      LEU  39  -1.915   9.113   1.357
  317   HD21  LEU  38          HD21      LEU  39   0.837   9.401   3.852
  318   HD22  LEU  38          HD22      LEU  39  -0.804   8.752   3.909
  319   HD23  LEU  38          HD23      LEU  39  -0.511  10.359   3.239
  320    H    ILE  39           HN       ILE  40   3.863   8.124   0.274
  321    HA   ILE  39           HA       ILE  40   5.418   5.922   1.439
  322    HB   ILE  39           HB       ILE  40   6.143   8.135  -0.454
  323   HG12  ILE  39          HG12      ILE  40   7.226   6.344  -1.699
  324   HG13  ILE  39          HG11      ILE  40   6.878   5.199  -0.412
  325   HG21  ILE  39          HG21      ILE  40   7.958   6.801   1.518
  326   HG22  ILE  39          HG22      ILE  40   7.862   8.505   1.055
  327   HG23  ILE  39          HG23      ILE  40   8.573   7.330  -0.053
  328   HD11  ILE  39          HD11      ILE  40   4.615   5.150  -0.930
  329   HD12  ILE  39          HD12      ILE  40   5.423   5.156  -2.496
  330   HD13  ILE  39          HD13      ILE  40   4.697   6.637  -1.870
  331    H    ALA  40           HN       ALA  41   6.258   6.129   3.381
  332    HA   ALA  40           HA       ALA  41   6.506   8.818   4.564
  333    HB1  ALA  40           HB1      ALA  41   5.824   6.190   5.864
  334    HB2  ALA  40           HB2      ALA  41   4.746   7.574   5.662
  335    HB3  ALA  40           HB3      ALA  41   6.134   7.683   6.748
  336    H    GLU  41           HN       GLU  42   8.678   9.024   3.878
  337    HA   GLU  41           HA       GLU  42  10.561   6.923   4.096
  338    HB2  GLU  41           HB2      GLU  42  10.484   9.479   2.946
  339    HB3  GLU  41           HB1      GLU  42  11.830   9.505   4.077
  340    HG2  GLU  41           HG2      GLU  42  11.410   7.518   1.859
  341    HG3  GLU  41           HG1      GLU  42  12.550   8.858   1.850
  342    H    GLU  42           HN       GLU  43   9.504   9.362   6.340
  343    HA   GLU  42           HA       GLU  43  11.771   9.235   8.056
  344    HB2  GLU  42           HB2      GLU  43   8.929  10.031   8.696
  345    HB3  GLU  42           HB1      GLU  43  10.330  10.334   9.710
  346    HG2  GLU  42           HG2      GLU  43  11.281  11.777   8.050
  347    HG3  GLU  42           HG1      GLU  43   9.972  11.412   6.929
  348    H    GLU  43           HN       GLU  44   8.899   7.331   7.652
  349    HA   GLU  43           HA       GLU  44   9.583   5.672   9.970
  350    HB2  GLU  43           HB2      GLU  44   7.246   5.410   8.065
  351    HB3  GLU  43           HB1      GLU  44   7.456   4.548   9.579
  352    HG2  GLU  43           HG2      GLU  44   7.005   7.504   9.251
  353    HG3  GLU  43           HG1      GLU  44   5.832   6.318   9.817
  354    H    HIS  44           HN       HIS  45  10.415   5.998   6.846
  355    HA   HIS  44           HA       HIS  45  10.913   4.741   5.027
  356    HB2  HIS  44           HB2      HIS  45  12.777   4.218   6.685
  357    HB3  HIS  44           HB1      HIS  45  11.938   2.704   7.003
  358    HD1  HIS  44           HD1      HIS  45  13.087   4.552   3.859
  359    HD2  HIS  44           HD2      HIS  45  12.950   0.719   5.484
  360    HE1  HIS  44           HE1      HIS  45  14.133   3.040   2.141
  361    HE2  HIS  44           HE2      HIS  45  13.857   0.715   3.062
  362    H    SER  45           HN       SER  46   8.313   4.525   5.706
  363    HA   SER  45           HA       SER  46   7.670   1.784   4.941
  364    HB2  SER  45           HB2      SER  46   6.360   3.234   7.263
  365    HB3  SER  45           HB1      SER  46   5.903   1.644   6.653
  366    HG   SER  45           HG       SER  46   8.489   2.275   7.659
  367    H    ALA  46           HN       ALA  47   5.386   1.604   4.233
  368    HA   ALA  46           HA       ALA  47   4.524   4.103   2.924
  369    HB1  ALA  46           HB1      ALA  47   5.153   2.188   1.458
  370    HB2  ALA  46           HB2      ALA  47   3.499   2.745   1.235
  371    HB3  ALA  46           HB3      ALA  47   3.820   1.275   2.154
  372    H    TYR  47           HN       TYR  48   2.434   4.843   3.237
  373    HA   TYR  47           HA       TYR  48   0.714   3.157   4.924
  374    HB2  TYR  47           HB2      TYR  48   0.772   6.138   4.480
  375    HB3  TYR  47           HB1      TYR  48  -0.633   5.333   5.172
  376    HD1  TYR  47           HD1      TYR  48  -0.546   4.370   7.391
  377    HD2  TYR  47           HD2      TYR  48   2.853   6.310   5.726
  378    HE1  TYR  47           HE1      TYR  48   0.496   4.441   9.618
  379    HE2  TYR  47           HE2      TYR  48   3.903   6.388   7.945
  380    HH   TYR  47           HH       TYR  48   3.234   6.332  10.304
  381    H    VAL  48           HN       VAL  49  -0.449   1.904   3.673
  382    HA   VAL  48           HA       VAL  49  -1.385   2.944   1.099
  383    HB   VAL  48           HB       VAL  49  -1.468   0.087   2.075
  384   HG11  VAL  48          HG11      VAL  49  -3.009   0.950   0.190
  385   HG12  VAL  48          HG12      VAL  49  -2.079  -0.522  -0.085
  386   HG13  VAL  48          HG13      VAL  49  -1.536   1.006  -0.775
  387   HG21  VAL  48          HG21      VAL  49   0.839   0.974   1.929
  388   HG22  VAL  48          HG22      VAL  49   0.545   1.375   0.236
  389   HG23  VAL  48          HG23      VAL  49   0.515  -0.309   0.761
  390    H    LYS  49           HN       LYS  50  -3.318   3.593   0.868
  391    HA   LYS  49           HA       LYS  50  -5.388   3.144   2.828
  392    HB2  LYS  49           HB2      LYS  50  -5.207   4.664   0.227
  393    HB3  LYS  49           HB1      LYS  50  -6.665   4.597   1.182
  394    HG2  LYS  49           HG2      LYS  50  -4.095   5.563   2.347
  395    HG3  LYS  49           HG1      LYS  50  -5.160   6.632   1.434
  396    HD2  LYS  49           HD2      LYS  50  -6.953   6.262   2.979
  397    HD3  LYS  49           HD1      LYS  50  -6.030   5.019   3.827
  398    HE2  LYS  49           HE2      LYS  50  -5.962   7.088   5.078
  399    HE3  LYS  49           HE1      LYS  50  -4.362   6.719   4.441
  400    HZ1  LYS  49           HZ1      LYS  50  -4.787   9.020   4.108
  401    HZ2  LYS  49           HZ2      LYS  50  -6.293   8.718   3.397
  402    HZ3  LYS  49           HZ3      LYS  50  -4.868   8.281   2.584
  403    H    ILE  50           HN       ILE  51  -6.391   1.169   2.736
  404    HA   ILE  50           HA       ILE  51  -6.915   0.066   0.065
  405    HB   ILE  50           HB       ILE  51  -7.319  -2.075   1.063
  406   HG12  ILE  50          HG12      ILE  51  -6.685  -0.890   3.763
  407   HG13  ILE  50          HG11      ILE  51  -8.335  -1.109   3.188
  408   HG21  ILE  50          HG21      ILE  51  -4.891  -0.992   2.348
  409   HG22  ILE  50          HG22      ILE  51  -4.990  -1.260   0.621
  410   HG23  ILE  50          HG23      ILE  51  -5.142  -2.610   1.745
  411   HD11  ILE  50          HD11      ILE  51  -7.952  -3.509   3.004
  412   HD12  ILE  50          HD12      ILE  51  -7.655  -2.927   4.644
  413   HD13  ILE  50          HD13      ILE  51  -6.298  -3.289   3.577
  414    H    ASP  51           HN       ASP  52  -8.891  -0.967  -0.323
  415    HA   ASP  51           HA       ASP  52 -11.187   0.294   0.991
  416    HB2  ASP  51           HB2      ASP  52 -11.123   0.328  -1.482
  417    HB3  ASP  51           HB1      ASP  52 -11.060  -1.427  -1.500
  418    H    SER  52           HN       SER  53 -11.772  -0.764   2.766
  419    HA   SER  52           HA       SER  53 -11.000  -3.444   3.268
  420    HB2  SER  52           HB2      SER  53 -12.904  -1.660   4.788
  421    HB3  SER  52           HB1      SER  53 -12.189  -3.153   5.395
  422    HG   SER  52           HG       SER  53 -10.962  -0.678   4.836
  423    H    LYS  53           HN       LYS  54 -13.496  -2.372   1.380
  424    HA   LYS  53           HA       LYS  54 -15.363  -4.460   2.165
  425    HB2  LYS  53           HB2      LYS  54 -15.523  -2.493  -0.126
  426    HB3  LYS  53           HB1      LYS  54 -16.809  -3.568   0.401
  427    HG2  LYS  53           HG2      LYS  54 -15.603  -1.384   2.085
  428    HG3  LYS  53           HG1      LYS  54 -17.094  -1.235   1.157
  429    HD2  LYS  53           HD2      LYS  54 -16.812  -3.467   3.119
  430    HD3  LYS  53           HD1      LYS  54 -17.150  -1.842   3.709
  431    HE2  LYS  53           HE2      LYS  54 -19.223  -3.036   3.428
  432    HE3  LYS  53           HE1      LYS  54 -19.124  -1.750   2.230
  433    HZ1  LYS  53           HZ1      LYS  54 -18.492  -4.600   1.693
  434    HZ2  LYS  53           HZ2      LYS  54 -18.557  -3.350   0.555
  435    HZ3  LYS  53           HZ3      LYS  54 -19.966  -3.858   1.334
  436    H    VAL  54           HN       VAL  55 -13.186  -3.658  -0.513
  437    HA   VAL  54           HA       VAL  55 -13.917  -6.130  -1.875
  438    HB   VAL  54           HB       VAL  55 -13.596  -4.002  -3.149
  439   HG11  VAL  54          HG11      VAL  55 -11.665  -3.174  -1.880
  440   HG12  VAL  54          HG12      VAL  55 -11.388  -3.181  -3.620
  441   HG13  VAL  54          HG13      VAL  55 -10.670  -4.433  -2.607
  442   HG21  VAL  54          HG21      VAL  55 -13.525  -6.129  -4.300
  443   HG22  VAL  54          HG22      VAL  55 -11.814  -6.309  -3.910
  444   HG23  VAL  54          HG23      VAL  55 -12.339  -5.028  -5.001
  445    H    THR  55           HN       THR  56 -11.344  -4.912   0.141
  446    HA   THR  55           HA       THR  56  -9.952  -7.469  -0.212
  447    HB   THR  55           HB       THR  56  -8.866  -5.651  -1.616
  448    HG1  THR  55           HG1      THR  56  -7.449  -7.220  -1.282
  449   HG21  THR  55          HG21      THR  56  -9.145  -3.836   0.092
  450   HG22  THR  55          HG22      THR  56  -7.504  -3.995  -0.529
  451   HG23  THR  55          HG23      THR  56  -7.908  -4.636   1.061
  452    H    ASN  56           HN       ASN  57  -7.993  -7.429   1.429
  453    HA   ASN  56           HA       ASN  57  -8.855  -6.362   4.020
  454    HB2  ASN  56           HB2      ASN  57  -9.670  -8.699   3.857
  455    HB3  ASN  56           HB1      ASN  57  -8.031  -9.236   3.509
  456   HD21  ASN  56          HD21      ASN  57  -8.032 -10.587   5.293
  457   HD22  ASN  56          HD22      ASN  57  -7.884  -9.981   6.906
  458    H    ARG  57           HN       ARG  58  -7.119  -5.939   5.433
  459    HA   ARG  57           HA       ARG  58  -4.894  -4.862   4.351
  460    HB2  ARG  57           HB2      ARG  58  -5.444  -4.330   6.600
  461    HB3  ARG  57           HB1      ARG  58  -5.277  -6.003   7.113
  462    HG2  ARG  57           HG2      ARG  58  -2.913  -5.928   6.891
  463    HG3  ARG  57           HG1      ARG  58  -2.974  -4.375   6.063
  464    HD2  ARG  57           HD2      ARG  58  -2.266  -3.972   8.298
  465    HD3  ARG  57           HD1      ARG  58  -3.921  -3.389   8.152
  466    HE   ARG  57           HE       ARG  58  -4.130  -5.965   9.096
  467   HH11  ARG  57          HH11      ARG  58  -2.614  -2.992  10.148
  468   HH12  ARG  57          HH12      ARG  58  -2.732  -3.374  11.836
  469   HH21  ARG  57          HH21      ARG  58  -4.310  -6.464  11.333
  470   HH22  ARG  57          HH22      ARG  58  -3.695  -5.342  12.508
  471    H    PHE  58           HN       PHE  59  -4.925  -8.143   5.834
  472    HA   PHE  58           HA       PHE  59  -2.157  -8.522   5.365
  473    HB2  PHE  58           HB2      PHE  59  -3.749  -9.793   6.982
  474    HB3  PHE  58           HB1      PHE  59  -4.098 -10.811   5.592
  475    HD1  PHE  58           HD1      PHE  59  -1.775 -11.519   4.314
  476    HD2  PHE  58           HD2      PHE  59  -2.231 -10.638   8.449
  477    HE1  PHE  58           HE1      PHE  59   0.212 -12.876   4.815
  478    HE2  PHE  58           HE2      PHE  59  -0.238 -11.985   8.957
  479    HZ   PHE  58           HZ       PHE  59   0.987 -13.107   7.143
  480    H    GLU  59           HN       GLU  60  -5.033  -9.489   3.514
  481    HA   GLU  59           HA       GLU  60  -3.736 -11.122   1.630
  482    HB2  GLU  59           HB2      GLU  60  -6.221  -9.430   1.318
  483    HB3  GLU  59           HB1      GLU  60  -5.708 -10.669   0.184
  484    HG2  GLU  59           HG2      GLU  60  -5.896 -12.334   2.019
  485    HG3  GLU  59           HG1      GLU  60  -6.572 -11.059   3.034
  486    H    VAL  60           HN       VAL  61  -4.678  -7.714   1.435
  487    HA   VAL  60           HA       VAL  61  -3.485  -7.330  -1.114
  488    HB   VAL  60           HB       VAL  61  -5.393  -6.007  -0.288
  489   HG11  VAL  60          HG11      VAL  61  -4.479  -5.795   2.052
  490   HG12  VAL  60          HG12      VAL  61  -5.232  -4.362   1.361
  491   HG13  VAL  60          HG13      VAL  61  -3.474  -4.480   1.436
  492   HG21  VAL  60          HG21      VAL  61  -2.927  -4.509  -1.094
  493   HG22  VAL  60          HG22      VAL  61  -4.516  -3.755  -0.988
  494   HG23  VAL  60          HG23      VAL  61  -4.242  -5.079  -2.120
  495    H    GLU  61           HN       GLU  62  -2.449  -6.760   2.209
  496    HA   GLU  61           HA       GLU  62  -0.030  -5.443   1.804
  497    HB2  GLU  61           HB2      GLU  62  -1.220  -6.080   3.989
  498    HB3  GLU  61           HB1      GLU  62  -0.448  -7.640   3.824
  499    HG2  GLU  61           HG2      GLU  62   1.032  -5.039   4.010
  500    HG3  GLU  61           HG1      GLU  62   0.666  -6.073   5.381
  501    H    GLN  62           HN       GLN  63  -0.768  -8.908   1.817
  502    HA   GLN  62           HA       GLN  63   1.760  -9.937   1.342
  503    HB2  GLN  62           HB2      GLN  63  -0.221 -11.312   1.856
  504    HB3  GLN  62           HB1      GLN  63  -0.884 -10.943   0.273
  505    HG2  GLN  62           HG2      GLN  63   0.034 -13.117   0.174
  506    HG3  GLN  62           HG1      GLN  63   1.089 -12.048  -0.743
  507   HE21  GLN  62          HE21      GLN  63   1.642 -14.632   0.472
  508   HE22  GLN  62          HE22      GLN  63   2.956 -14.383   1.569
  509    H    ALA  63           HN       ALA  64  -0.673  -8.814  -0.998
  510    HA   ALA  63           HA       ALA  64   0.916  -9.309  -3.291
  511    HB1  ALA  63           HB1      ALA  64  -1.289  -7.280  -2.918
  512    HB2  ALA  63           HB2      ALA  64  -1.501  -8.962  -3.410
  513    HB3  ALA  63           HB3      ALA  64  -0.641  -7.838  -4.461
  514    H    ILE  64           HN       ILE  65   0.554  -6.462  -1.204
  515    HA   ILE  64           HA       ILE  65   2.088  -4.691  -2.733
  516    HB   ILE  64           HB       ILE  65   1.178  -4.747   0.087
  517   HG12  ILE  64          HG12      ILE  65   0.983  -2.194  -1.072
  518   HG13  ILE  64          HG11      ILE  65   0.633  -3.334  -2.363
  519   HG21  ILE  64          HG21      ILE  65   3.506  -4.136   0.386
  520   HG22  ILE  64          HG22      ILE  65   2.456  -2.749   0.676
  521   HG23  ILE  64          HG23      ILE  65   3.351  -2.878  -0.838
  522   HD11  ILE  64          HD11      ILE  65  -1.084  -4.359  -0.998
  523   HD12  ILE  64          HD12      ILE  65  -1.386  -2.637  -1.237
  524   HD13  ILE  64          HD13      ILE  65  -0.742  -3.217   0.302
  525    H    ARG  65           HN       ARG  66   3.110  -6.803  -0.014
  526    HA   ARG  65           HA       ARG  66   5.791  -5.920  -0.107
  527    HB2  ARG  65           HB2      ARG  66   6.293  -8.121   1.074
  528    HB3  ARG  65           HB1      ARG  66   5.294  -6.947   1.914
  529    HG2  ARG  65           HG2      ARG  66   4.205  -8.908   2.351
  530    HG3  ARG  65           HG1      ARG  66   3.347  -8.370   0.908
  531    HD2  ARG  65           HD2      ARG  66   3.904 -10.743   0.784
  532    HD3  ARG  65           HD1      ARG  66   4.724  -9.820  -0.471
  533    HE   ARG  65           HE       ARG  66   6.615  -9.903   1.393
  534   HH11  ARG  65          HH11      ARG  66   4.472 -12.436   0.296
  535   HH12  ARG  65          HH12      ARG  66   5.638 -13.702   0.506
  536   HH21  ARG  65          HH21      ARG  66   8.165 -11.570   1.680
  537   HH22  ARG  65          HH22      ARG  66   7.739 -13.207   1.298
  538    H    GLN  66           HN       GLN  67   4.108  -8.439  -1.830
  539    HA   GLN  66           HA       GLN  67   6.371  -9.662  -2.981
  540    HB2  GLN  66           HB2      GLN  67   3.537  -9.427  -3.951
  541    HB3  GLN  66           HB1      GLN  67   4.763 -10.396  -4.768
  542    HG2  GLN  66           HG2      GLN  67   5.094 -11.676  -2.692
  543    HG3  GLN  66           HG1      GLN  67   3.798 -10.759  -1.950
  544   HE21  GLN  66          HE21      GLN  67   1.675 -11.118  -2.599
  545   HE22  GLN  66          HE22      GLN  67   1.215 -12.521  -3.500
  546    H    ALA  67           HN       ALA  68   4.560  -6.793  -3.843
  547    HA   ALA  67           HA       ALA  68   5.795  -6.306  -6.340
  548    HB1  ALA  67           HB1      ALA  68   4.533  -4.493  -4.306
  549    HB2  ALA  67           HB2      ALA  68   3.831  -5.096  -5.806
  550    HB3  ALA  67           HB3      ALA  68   5.140  -3.913  -5.856
  551    H    LEU  68           HN       LEU  69   6.861  -6.030  -3.094
  552    HA   LEU  68           HA       LEU  69   9.211  -4.458  -3.784
  553    HB2  LEU  68           HB2      LEU  69   8.269  -5.664  -1.181
  554    HB3  LEU  68           HB1      LEU  69   9.748  -4.738  -1.355
  555    HG   LEU  68           HG       LEU  69   7.060  -3.580  -2.063
  556   HD11  LEU  68          HD11      LEU  69   7.023  -4.321   0.281
  557   HD12  LEU  68          HD12      LEU  69   7.003  -2.566   0.139
  558   HD13  LEU  68          HD13      LEU  69   8.490  -3.399   0.586
  559   HD21  LEU  68          HD21      LEU  69   9.337  -2.611  -2.805
  560   HD22  LEU  68          HD22      LEU  69   9.498  -2.125  -1.120
  561   HD23  LEU  68          HD23      LEU  69   8.145  -1.532  -2.084
  562    H    GLU  69           HN       GLU  70   8.263  -7.731  -3.018
  563    HA   GLU  69           HA       GLU  70  10.800  -8.873  -2.646
  564    HB2  GLU  69           HB2      GLU  70   8.151 -10.031  -3.523
  565    HB3  GLU  69           HB1      GLU  70   9.589 -11.023  -3.307
  566    HG2  GLU  69           HG2      GLU  70   8.294  -9.328  -1.185
  567    HG3  GLU  69           HG1      GLU  70   8.116 -11.074  -1.359
  Start of MODEL   12
    1    H1   MET   0           HT1      MET   1 -10.046  12.416   4.024
    2    H2   MET   0           HT2      MET   1  -8.693  12.108   4.986
    3    H3   MET   0           HT3      MET   1  -8.787  11.449   3.426
    4    HA   MET   0           HA       MET   1  -8.568  14.321   4.115
    5    HB2  MET   0           HB2      MET   1  -6.628  12.401   2.811
    6    HB3  MET   0           HB1      MET   1  -6.392  14.140   2.904
    7    HG2  MET   0           HG2      MET   1  -6.577  12.245   5.231
    8    HG3  MET   0           HG1      MET   1  -5.111  12.998   4.608
    9    HE1  MET   0           HE1      MET   1  -5.582  14.819   8.024
   10    HE2  MET   0           HE2      MET   1  -4.478  13.902   6.998
   11    HE3  MET   0           HE3      MET   1  -5.916  13.127   7.662
   12    H    GLY   1           HN       GLY   2 -10.407  14.846   2.852
   13    HA2  GLY   1           HA2      GLY   2 -11.027  15.925   0.873
   14    HA3  GLY   1           HA1      GLY   2  -9.701  15.123   0.045
   15    H    LYS   2           HN       LYS   3 -10.558  14.036  -1.593
   16    HA   LYS   2           HA       LYS   3 -13.215  12.921  -1.429
   17    HB2  LYS   2           HB2      LYS   3 -12.390  14.057  -3.471
   18    HB3  LYS   2           HB1      LYS   3 -11.191  12.790  -3.669
   19    HG2  LYS   2           HG2      LYS   3 -13.084  11.151  -3.815
   20    HG3  LYS   2           HG1      LYS   3 -14.179  12.532  -3.864
   21    HD2  LYS   2           HD2      LYS   3 -13.712  11.740  -6.111
   22    HD3  LYS   2           HD1      LYS   3 -13.038  13.353  -5.875
   23    HE2  LYS   2           HE2      LYS   3 -11.516  11.812  -7.084
   24    HE3  LYS   2           HE1      LYS   3 -10.829  12.447  -5.593
   25    HZ1  LYS   2           HZ1      LYS   3 -12.082   9.768  -5.882
   26    HZ2  LYS   2           HZ2      LYS   3 -11.331  10.377  -4.492
   27    HZ3  LYS   2           HZ3      LYS   3 -10.418  10.068  -5.879
   28    H    GLU   3           HN       GLU   4 -12.404  11.481   0.390
   29    HA   GLU   3           HA       GLU   4 -11.507   8.936  -0.788
   30    HB2  GLU   3           HB2      GLU   4 -10.823   9.965   1.972
   31    HB3  GLU   3           HB1      GLU   4 -10.330   8.420   1.294
   32    HG2  GLU   3           HG2      GLU   4  -9.119   9.688  -0.488
   33    HG3  GLU   3           HG1      GLU   4  -9.477  11.162   0.408
   34    HA   PRO   4           HA       PRO   5 -15.229   7.418   1.095
   35    HB2  PRO   4           HB2      PRO   5 -14.812   4.780   0.745
   36    HB3  PRO   4           HB1      PRO   5 -15.200   5.854  -0.596
   37    HG2  PRO   4           HG2      PRO   5 -12.589   4.694   0.212
   38    HG3  PRO   4           HG1      PRO   5 -13.228   5.006  -1.410
   39    HD2  PRO   4           HD2      PRO   5 -11.426   6.605  -0.064
   40    HD3  PRO   4           HD1      PRO   5 -12.429   7.133  -1.422
   41    HA   PRO   5           HA       PRO   6 -13.991   6.444   5.253
   42    HB2  PRO   5           HB2      PRO   6 -16.625   5.449   5.882
   43    HB3  PRO   5           HB1      PRO   6 -15.902   6.996   6.319
   44    HG2  PRO   5           HG2      PRO   6 -17.990   6.706   4.562
   45    HG3  PRO   5           HG1      PRO   6 -16.874   8.080   4.571
   46    HD2  PRO   5           HD2      PRO   6 -16.935   5.693   2.779
   47    HD3  PRO   5           HD1      PRO   6 -16.528   7.380   2.406
   48    H    TYR   6           HN       TYR   7 -13.879   4.283   3.120
   49    HA   TYR   6           HA       TYR   7 -14.154   1.953   4.898
   50    HB2  TYR   6           HB2      TYR   7 -14.327   2.038   1.886
   51    HB3  TYR   6           HB1      TYR   7 -14.424   0.582   2.867
   52    HD1  TYR   6           HD2      TYR   7 -16.174   3.625   1.816
   53    HD2  TYR   6           HD1      TYR   7 -16.423   0.073   4.140
   54    HE1  TYR   6           HE2      TYR   7 -18.602   3.940   2.025
   55    HE2  TYR   6           HE1      TYR   7 -18.852   0.379   4.355
   56    HH   TYR   6           HH       TYR   7 -20.603   2.595   2.470
   57    H    VAL   7           HN       VAL   8 -11.949   4.003   4.032
   58    HA   VAL   7           HA       VAL   8  -9.909   2.298   2.959
   59    HB   VAL   7           HB       VAL   8  -8.422   4.253   3.341
   60   HG11  VAL   7          HG11      VAL   8  -9.589   3.976   1.235
   61   HG12  VAL   7          HG12      VAL   8  -9.460   5.683   1.649
   62   HG13  VAL   7          HG13      VAL   8 -10.987   4.833   1.879
   63   HG21  VAL   7          HG21      VAL   8  -9.394   6.392   4.012
   64   HG22  VAL   7          HG22      VAL   8  -9.529   5.196   5.301
   65   HG23  VAL   7          HG23      VAL   8 -10.938   5.595   4.319
   66    H    SER   8           HN       SER   9  -8.302   1.292   4.017
   67    HA   SER   8           HA       SER   9  -7.989   1.837   6.900
   68    HB2  SER   8           HB2      SER   9  -7.356  -0.823   5.601
   69    HB3  SER   8           HB1      SER   9  -7.525  -0.460   7.318
   70    HG   SER   8           HG       SER   9  -9.762   0.194   5.924
   71    H    SER   9           HN       SER  10  -6.068   2.713   7.355
   72    HA   SER   9           HA       SER  10  -4.074   2.919   5.286
   73    HB2  SER   9           HB2      SER  10  -4.057   3.950   8.134
   74    HB3  SER   9           HB1      SER  10  -2.906   4.393   6.873
   75    HG   SER   9           HG       SER  10  -5.688   4.949   6.976
   76    H    LEU  10           HN       LEU  11  -2.875   1.151   4.932
   77    HA   LEU  10           HA       LEU  11  -1.914  -0.439   7.187
   78    HB2  LEU  10           HB2      LEU  11  -1.275  -0.885   4.280
   79    HB3  LEU  10           HB1      LEU  11  -1.204  -2.048   5.586
   80    HG   LEU  10           HG       LEU  11  -3.628  -0.976   4.167
   81   HD11  LEU  10          HD11      LEU  11  -2.563  -3.750   4.658
   82   HD12  LEU  10          HD12      LEU  11  -2.506  -2.853   3.141
   83   HD13  LEU  10          HD13      LEU  11  -4.057  -3.362   3.806
   84   HD21  LEU  10          HD21      LEU  11  -3.584  -2.542   6.745
   85   HD22  LEU  10          HD22      LEU  11  -5.011  -2.250   5.756
   86   HD23  LEU  10          HD23      LEU  11  -4.178  -0.899   6.523
   87    H    ARG  11           HN       ARG  12   0.089  -0.198   8.016
   88    HA   ARG  11           HA       ARG  12   1.955   1.563   6.630
   89    HB2  ARG  11           HB2      ARG  12   1.567   1.802   9.096
   90    HB3  ARG  11           HB1      ARG  12   2.300   0.218   9.316
   91    HG2  ARG  11           HG2      ARG  12   4.336   1.150   8.137
   92    HG3  ARG  11           HG1      ARG  12   3.593   2.738   8.322
   93    HD2  ARG  11           HD2      ARG  12   5.142   2.372  10.124
   94    HD3  ARG  11           HD1      ARG  12   3.498   2.364  10.763
   95    HE   ARG  11           HE       ARG  12   3.657   0.039  11.099
   96   HH11  ARG  11          HH11      ARG  12   6.631   1.411   9.842
   97   HH12  ARG  11          HH12      ARG  12   7.606   0.063  10.328
   98   HH21  ARG  11          HH21      ARG  12   4.944  -1.739  11.744
   99   HH22  ARG  11          HH22      ARG  12   6.646  -1.729  11.410
  100    H    ILE  12           HN       ILE  13   3.082   0.593   5.079
  101    HA   ILE  12           HA       ILE  13   3.821  -2.208   5.320
  102    HB   ILE  12           HB       ILE  13   4.754  -0.526   3.042
  103   HG12  ILE  12          HG12      ILE  13   2.458   0.226   3.235
  104   HG13  ILE  12          HG11      ILE  13   2.608  -0.848   1.853
  105   HG21  ILE  12          HG21      ILE  13   3.696  -3.326   3.288
  106   HG22  ILE  12          HG22      ILE  13   5.388  -2.847   3.157
  107   HG23  ILE  12          HG23      ILE  13   4.292  -2.595   1.799
  108   HD11  ILE  12          HD11      ILE  13   1.628  -2.673   3.195
  109   HD12  ILE  12          HD12      ILE  13   0.553  -1.287   3.046
  110   HD13  ILE  12          HD13      ILE  13   1.445  -1.554   4.543
  111    H    GLU  13           HN       GLU  14   5.730  -2.815   6.086
  112    HA   GLU  13           HA       GLU  14   7.778  -0.884   6.660
  113    HB2  GLU  13           HB2      GLU  14   7.880  -3.903   6.827
  114    HB3  GLU  13           HB1      GLU  14   9.011  -2.781   7.574
  115    HG2  GLU  13           HG2      GLU  14   7.160  -1.886   8.940
  116    HG3  GLU  13           HG1      GLU  14   6.095  -3.101   8.241
  117    H    ILE  14           HN       ILE  15   9.014  -0.105   5.082
  118    HA   ILE  14           HA       ILE  15   9.121  -1.454   2.542
  119    HB   ILE  14           HB       ILE  15  10.377   1.128   3.472
  120   HG12  ILE  14          HG12      ILE  15   7.924   0.663   1.770
  121   HG13  ILE  14          HG11      ILE  15   7.872   0.992   3.496
  122   HG21  ILE  14          HG21      ILE  15  11.358  -0.137   1.418
  123   HG22  ILE  14          HG22      ILE  15  11.028   1.596   1.305
  124   HG23  ILE  14          HG23      ILE  15   9.898   0.436   0.606
  125   HD11  ILE  14          HD11      ILE  15   9.064   2.833   1.457
  126   HD12  ILE  14          HD12      ILE  15   8.808   3.169   3.162
  127   HD13  ILE  14          HD13      ILE  15   7.427   2.965   2.083
  128    HA   PRO  15           HA       PRO  16  13.026  -3.553   3.031
  129    HB2  PRO  15           HB2      PRO  16  13.458  -3.068   0.180
  130    HB3  PRO  15           HB1      PRO  16  13.253  -4.595   1.030
  131    HG2  PRO  15           HG2      PRO  16  11.387  -3.473  -0.643
  132    HG3  PRO  15           HG1      PRO  16  11.023  -4.659   0.610
  133    HD2  PRO  15           HD2      PRO  16  10.478  -1.776   0.537
  134    HD3  PRO  15           HD1      PRO  16   9.706  -3.038   1.498
  135    H    ALA  16           HN       ALA  17  15.223  -3.014   3.050
  136    HA   ALA  16           HA       ALA  17  15.771  -0.216   3.207
  137    HB1  ALA  16           HB1      ALA  17  17.665  -2.554   3.381
  138    HB2  ALA  16           HB2      ALA  17  16.799  -1.822   4.732
  139    HB3  ALA  16           HB3      ALA  17  18.018  -0.894   3.859
  140    H    ASP  17           HN       ASP  18  16.384  -2.734   0.863
  141    HA   ASP  17           HA       ASP  18  18.193  -1.163  -0.720
  142    HB2  ASP  17           HB2      ASP  18  18.323  -3.605  -0.758
  143    HB3  ASP  17           HB1      ASP  18  16.682  -3.701  -1.388
  144    H    ILE  18           HN       ILE  19  14.764  -1.898  -0.767
  145    HA   ILE  18           HA       ILE  19  14.233  -0.601  -3.252
  146    HB   ILE  18           HB       ILE  19  12.507  -1.640  -1.028
  147   HG12  ILE  18          HG12      ILE  19  11.586  -3.066  -2.768
  148   HG13  ILE  18          HG11      ILE  19  12.489  -2.203  -4.000
  149   HG21  ILE  18          HG21      ILE  19  11.470   0.471  -1.659
  150   HG22  ILE  18          HG22      ILE  19  10.495  -0.897  -2.195
  151   HG23  ILE  18          HG23      ILE  19  11.490  -0.015  -3.354
  152   HD11  ILE  18          HD11      ILE  19  13.807  -3.727  -1.782
  153   HD12  ILE  18          HD12      ILE  19  14.538  -3.112  -3.262
  154   HD13  ILE  18          HD13      ILE  19  13.387  -4.446  -3.335
  155    H    ALA  19           HN       ALA  20  13.771   1.518  -3.642
  156    HA   ALA  19           HA       ALA  20  14.244   3.397  -1.502
  157    HB1  ALA  19           HB1      ALA  20  13.970   5.107  -3.285
  158    HB2  ALA  19           HB2      ALA  20  13.665   3.798  -4.429
  159    HB3  ALA  19           HB3      ALA  20  15.228   3.914  -3.619
  160    H    ALA  20           HN       ALA  21  12.795   4.585  -0.458
  161    HA   ALA  20           HA       ALA  21   9.974   4.095  -0.902
  162    HB1  ALA  20           HB1      ALA  21   9.782   5.641   1.105
  163    HB2  ALA  20           HB2      ALA  21  11.541   5.590   1.179
  164    HB3  ALA  20           HB3      ALA  21  10.609   4.108   1.365
  165    H    ASN  21           HN       ASN  22   9.486   5.124  -2.843
  166    HA   ASN  21           HA       ASN  22   9.261   7.999  -2.692
  167    HB2  ASN  21           HB2      ASN  22  10.545   8.558  -4.602
  168    HB3  ASN  21           HB1      ASN  22  11.572   7.494  -3.656
  169   HD21  ASN  21          HD21      ASN  22  11.951   5.378  -4.406
  170   HD22  ASN  21          HD22      ASN  22  11.689   4.950  -6.061
  171    H    GLU  22           HN       GLU  23   8.491   8.607  -5.233
  172    HA   GLU  22           HA       GLU  23   5.845   7.719  -5.289
  173    HB2  GLU  22           HB2      GLU  23   6.725   9.817  -6.293
  174    HB3  GLU  22           HB1      GLU  23   7.424   8.866  -7.593
  175    HG2  GLU  22           HG2      GLU  23   5.279   8.223  -8.385
  176    HG3  GLU  22           HG1      GLU  23   4.488   8.896  -6.960
  177    H    ALA  23           HN       ALA  24   8.689   6.402  -6.894
  178    HA   ALA  23           HA       ALA  24   7.388   4.707  -8.726
  179    HB1  ALA  23           HB1      ALA  24   9.793   5.178  -8.805
  180    HB2  ALA  23           HB2      ALA  24   9.463   3.446  -8.797
  181    HB3  ALA  23           HB3      ALA  24  10.018   4.244  -7.327
  182    H    LEU  24           HN       LEU  25   8.221   4.300  -5.330
  183    HA   LEU  24           HA       LEU  25   7.360   1.621  -5.060
  184    HB2  LEU  24           HB2      LEU  25   8.748   2.753  -3.375
  185    HB3  LEU  24           HB1      LEU  25   7.436   3.852  -3.022
  186    HG   LEU  24           HG       LEU  25   6.847   0.966  -2.682
  187   HD11  LEU  24          HD11      LEU  25   8.622   2.499  -0.787
  188   HD12  LEU  24          HD12      LEU  25   9.102   1.113  -1.765
  189   HD13  LEU  24          HD13      LEU  25   7.909   0.917  -0.482
  190   HD21  LEU  24          HD21      LEU  25   6.258   3.476  -1.119
  191   HD22  LEU  24          HD22      LEU  25   5.701   1.862  -0.679
  192   HD23  LEU  24          HD23      LEU  25   5.156   2.603  -2.183
  193    H    LYS  25           HN       LYS  26   5.779   4.731  -4.830
  194    HA   LYS  25           HA       LYS  26   3.280   3.881  -3.890
  195    HB2  LYS  25           HB2      LYS  26   3.907   6.219  -3.892
  196    HB3  LYS  25           HB1      LYS  26   4.040   6.222  -5.641
  197    HG2  LYS  25           HG2      LYS  26   1.588   5.644  -5.700
  198    HG3  LYS  25           HG1      LYS  26   1.563   5.995  -3.976
  199    HD2  LYS  25           HD2      LYS  26   2.447   8.255  -4.470
  200    HD3  LYS  25           HD1      LYS  26   2.304   7.887  -6.191
  201    HE2  LYS  25           HE2      LYS  26  -0.082   7.552  -5.965
  202    HE3  LYS  25           HE1      LYS  26   0.016   7.818  -4.229
  203    HZ1  LYS  25           HZ1      LYS  26   0.730  10.086  -4.653
  204    HZ2  LYS  25           HZ2      LYS  26  -0.760   9.787  -5.397
  205    HZ3  LYS  25           HZ3      LYS  26   0.654   9.823  -6.322
  206    H    VAL  26           HN       VAL  27   4.404   4.468  -7.227
  207    HA   VAL  26           HA       VAL  27   1.929   3.851  -8.415
  208    HB   VAL  26           HB       VAL  27   3.081   3.785 -10.551
  209   HG11  VAL  26          HG11      VAL  27   4.143   5.960  -8.757
  210   HG12  VAL  26          HG12      VAL  27   2.573   5.953  -9.561
  211   HG13  VAL  26          HG13      VAL  27   4.054   6.023 -10.517
  212   HG21  VAL  26          HG21      VAL  27   5.059   2.544 -10.001
  213   HG22  VAL  26          HG22      VAL  27   5.612   3.822  -8.921
  214   HG23  VAL  26          HG23      VAL  27   5.534   4.110 -10.659
  215    H    ARG  27           HN       ARG  28   4.671   1.781  -7.579
  216    HA   ARG  27           HA       ARG  28   3.666  -0.455  -9.047
  217    HB2  ARG  27           HB2      ARG  28   5.323  -1.803  -7.901
  218    HB3  ARG  27           HB1      ARG  28   6.052  -0.295  -8.426
  219    HG2  ARG  27           HG2      ARG  28   5.992   0.576  -6.196
  220    HG3  ARG  27           HG1      ARG  28   5.081  -0.823  -5.630
  221    HD2  ARG  27           HD2      ARG  28   7.416  -1.019  -5.007
  222    HD3  ARG  27           HD1      ARG  28   6.985  -2.274  -6.165
  223    HE   ARG  27           HE       ARG  28   8.136   0.094  -7.350
  224   HH11  ARG  27          HH11      ARG  28   8.743  -3.105  -6.050
  225   HH12  ARG  27          HH12      ARG  28  10.347  -3.203  -6.709
  226   HH21  ARG  27          HH21      ARG  28  10.241  -0.054  -8.243
  227   HH22  ARG  27          HH22      ARG  28  11.191  -1.480  -7.957
  228    H    LEU  28           HN       LEU  29   3.327   0.647  -5.697
  229    HA   LEU  28           HA       LEU  29   1.837  -1.632  -4.874
  230    HB2  LEU  28           HB2      LEU  29   1.978   1.118  -3.646
  231    HB3  LEU  28           HB1      LEU  29   1.313  -0.312  -2.880
  232    HG   LEU  28           HG       LEU  29   4.185   0.256  -3.546
  233   HD11  LEU  28          HD11      LEU  29   3.497   1.194  -1.478
  234   HD12  LEU  28          HD12      LEU  29   4.459  -0.241  -1.127
  235   HD13  LEU  28          HD13      LEU  29   2.701  -0.304  -0.997
  236   HD21  LEU  28          HD21      LEU  29   2.858  -2.334  -2.942
  237   HD22  LEU  28          HD22      LEU  29   4.533  -2.053  -2.491
  238   HD23  LEU  28          HD23      LEU  29   4.047  -1.963  -4.183
  239    H    LEU  29           HN       LEU  30   1.035   1.427  -6.347
  240    HA   LEU  29           HA       LEU  30  -1.727   1.454  -5.804
  241    HB2  LEU  29           HB2      LEU  30   0.037   2.746  -7.826
  242    HB3  LEU  29           HB1      LEU  30  -1.697   2.821  -8.053
  243    HG   LEU  29           HG       LEU  30  -0.232   3.811  -5.607
  244   HD11  LEU  29          HD11      LEU  30   0.348   5.331  -7.250
  245   HD12  LEU  29          HD12      LEU  30  -1.114   6.038  -6.565
  246   HD13  LEU  29          HD13      LEU  30  -1.191   5.165  -8.093
  247   HD21  LEU  29          HD21      LEU  30  -2.220   3.848  -4.622
  248   HD22  LEU  29          HD22      LEU  30  -2.982   3.198  -6.074
  249   HD23  LEU  29          HD23      LEU  30  -2.801   4.942  -5.879
  250    H    GLU  30           HN       GLU  31  -0.029  -0.788  -7.601
  251    HA   GLU  30           HA       GLU  31  -2.239  -1.293  -9.451
  252    HB2  GLU  30           HB2      GLU  31   0.446  -2.663  -9.243
  253    HB3  GLU  30           HB1      GLU  31  -0.747  -2.913 -10.509
  254    HG2  GLU  30           HG2      GLU  31  -0.496  -0.481 -11.075
  255    HG3  GLU  30           HG1      GLU  31   0.871  -0.444  -9.963
  256    H    THR  31           HN       THR  32  -1.807  -1.942  -6.358
  257    HA   THR  31           HA       THR  32  -2.072  -4.831  -6.399
  258    HB   THR  31           HB       THR  32  -2.161  -2.951  -4.032
  259    HG1  THR  31           HG1      THR  32  -0.172  -2.630  -4.850
  260   HG21  THR  31          HG21      THR  32  -2.833  -4.927  -3.121
  261   HG22  THR  31          HG22      THR  32  -1.090  -5.177  -3.059
  262   HG23  THR  31          HG23      THR  32  -2.040  -5.899  -4.358
  263    H    GLU  32           HN       GLU  33  -3.906  -5.970  -5.708
  264    HA   GLU  32           HA       GLU  33  -6.363  -4.822  -6.502
  265    HB2  GLU  32           HB2      GLU  33  -5.792  -7.233  -6.709
  266    HB3  GLU  32           HB1      GLU  33  -5.924  -7.384  -4.962
  267    HG2  GLU  32           HG2      GLU  33  -7.933  -8.163  -6.106
  268    HG3  GLU  32           HG1      GLU  33  -8.268  -6.784  -5.061
  269    H    GLY  33           HN       GLY  34  -7.340  -3.287  -5.357
  270    HA2  GLY  33           HA2      GLY  34  -8.907  -2.875  -3.579
  271    HA3  GLY  33           HA1      GLY  34  -7.916  -3.884  -2.535
  272    H    VAL  34           HN       VAL  35  -6.378  -1.575  -4.606
  273    HA   VAL  34           HA       VAL  35  -5.455  -0.121  -2.250
  274    HB   VAL  34           HB       VAL  35  -3.864   0.977  -3.786
  275   HG11  VAL  34          HG11      VAL  35  -3.119  -1.000  -2.701
  276   HG12  VAL  34          HG12      VAL  35  -2.552  -1.047  -4.366
  277   HG13  VAL  34          HG13      VAL  35  -3.940  -2.019  -3.878
  278   HG21  VAL  34          HG21      VAL  35  -5.218   0.967  -5.811
  279   HG22  VAL  34          HG22      VAL  35  -5.089  -0.791  -5.896
  280   HG23  VAL  34          HG23      VAL  35  -3.650   0.209  -6.097
  281    H    LYS  35           HN       LYS  36  -5.940   1.924  -1.788
  282    HA   LYS  35           HA       LYS  36  -7.737   3.352  -3.631
  283    HB2  LYS  35           HB2      LYS  36  -7.491   3.334  -0.640
  284    HB3  LYS  35           HB1      LYS  36  -8.257   4.674  -1.473
  285    HG2  LYS  35           HG2      LYS  36  -9.101   1.794  -1.659
  286    HG3  LYS  35           HG1      LYS  36  -9.864   3.010  -0.645
  287    HD2  LYS  35           HD2      LYS  36 -10.350   4.317  -2.681
  288    HD3  LYS  35           HD1      LYS  36  -9.696   3.000  -3.647
  289    HE2  LYS  35           HE2      LYS  36 -11.380   1.491  -2.712
  290    HE3  LYS  35           HE1      LYS  36 -12.036   2.823  -1.765
  291    HZ1  LYS  35           HZ1      LYS  36 -13.314   2.446  -3.778
  292    HZ2  LYS  35           HZ2      LYS  36 -11.939   2.696  -4.729
  293    HZ3  LYS  35           HZ3      LYS  36 -12.580   3.968  -3.817
  294    H    GLU  36           HN       GLU  37  -4.869   3.563  -1.660
  295    HA   GLU  36           HA       GLU  37  -3.856   5.854  -2.994
  296    HB2  GLU  36           HB2      GLU  37  -5.605   6.944  -1.649
  297    HB3  GLU  36           HB1      GLU  37  -4.953   6.208  -0.196
  298    HG2  GLU  36           HG2      GLU  37  -4.311   8.525  -0.345
  299    HG3  GLU  36           HG1      GLU  37  -2.911   7.466  -0.459
  300    H    VAL  37           HN       VAL  38  -1.682   6.157  -2.487
  301    HA   VAL  37           HA       VAL  38  -0.571   4.398  -0.403
  302    HB   VAL  37           HB       VAL  38   0.555   4.684  -3.195
  303   HG11  VAL  37          HG11      VAL  38   2.294   4.581  -1.471
  304   HG12  VAL  37          HG12      VAL  38   2.276   3.123  -2.461
  305   HG13  VAL  37          HG13      VAL  38   1.581   3.101  -0.843
  306   HG21  VAL  37          HG21      VAL  38  -0.335   2.144  -1.886
  307   HG22  VAL  37          HG22      VAL  38  -0.034   2.458  -3.595
  308   HG23  VAL  37          HG23      VAL  38  -1.455   3.146  -2.806
  309    H    LEU  38           HN       LEU  39   0.593   5.488   0.972
  310    HA   LEU  38           HA       LEU  39   1.774   8.065   0.171
  311    HB2  LEU  38           HB2      LEU  39   0.713   6.988   2.738
  312    HB3  LEU  38           HB1      LEU  39   1.927   8.248   2.770
  313    HG   LEU  38           HG       LEU  39   0.394   9.683   1.425
  314   HD11  LEU  38          HD11      LEU  39  -1.575   7.464   1.967
  315   HD12  LEU  38          HD12      LEU  39  -0.968   7.956   0.387
  316   HD13  LEU  38          HD13      LEU  39  -1.977   9.056   1.326
  317   HD21  LEU  38          HD21      LEU  39   0.623   9.496   3.972
  318   HD22  LEU  38          HD22      LEU  39  -0.985   8.769   3.911
  319   HD23  LEU  38          HD23      LEU  39  -0.731  10.409   3.306
  320    H    ILE  39           HN       ILE  40   3.940   8.277   0.179
  321    HA   ILE  39           HA       ILE  40   5.542   6.167   1.413
  322    HB   ILE  39           HB       ILE  40   6.189   8.388  -0.498
  323   HG12  ILE  39          HG12      ILE  40   7.255   6.594  -1.767
  324   HG13  ILE  39          HG11      ILE  40   6.918   5.450  -0.478
  325   HG21  ILE  39          HG21      ILE  40   8.038   7.117   1.472
  326   HG22  ILE  39          HG22      ILE  40   7.968   8.788   0.896
  327   HG23  ILE  39          HG23      ILE  40   8.640   7.529  -0.140
  328   HD11  ILE  39          HD11      ILE  40   4.644   5.429  -0.958
  329   HD12  ILE  39          HD12      ILE  40   5.429   5.415  -2.534
  330   HD13  ILE  39          HD13      ILE  40   4.731   6.910  -1.907
  331    H    ALA  40           HN       ALA  41   6.415   6.402   3.345
  332    HA   ALA  40           HA       ALA  41   6.853   9.118   4.398
  333    HB1  ALA  40           HB1      ALA  41   5.956   6.662   5.882
  334    HB2  ALA  40           HB2      ALA  41   4.985   8.100   5.564
  335    HB3  ALA  40           HB3      ALA  41   6.381   8.195   6.642
  336    H    GLU  41           HN       GLU  42   9.010   9.069   3.693
  337    HA   GLU  41           HA       GLU  42  10.764   6.892   4.107
  338    HB2  GLU  41           HB2      GLU  42  10.869   9.446   2.882
  339    HB3  GLU  41           HB1      GLU  42  12.213   9.357   4.015
  340    HG2  GLU  41           HG2      GLU  42  11.606   7.385   1.829
  341    HG3  GLU  41           HG1      GLU  42  12.865   8.617   1.796
  342    H    GLU  42           HN       GLU  43   9.783   9.558   6.097
  343    HA   GLU  42           HA       GLU  43  11.797   9.530   8.032
  344    HB2  GLU  42           HB2      GLU  43   8.892  10.042   8.476
  345    HB3  GLU  42           HB1      GLU  43  10.204  10.600   9.491
  346    HG2  GLU  42           HG2      GLU  43  11.020  11.967   7.618
  347    HG3  GLU  42           HG1      GLU  43   9.643  11.431   6.659
  348    H    GLU  43           HN       GLU  44   8.998   7.507   7.575
  349    HA   GLU  43           HA       GLU  44   9.635   5.946   9.978
  350    HB2  GLU  43           HB2      GLU  44   7.277   5.782   8.085
  351    HB3  GLU  43           HB1      GLU  44   7.472   4.834   9.550
  352    HG2  GLU  43           HG2      GLU  44   7.248   7.832   9.453
  353    HG3  GLU  43           HG1      GLU  44   5.922   6.726   9.808
  354    H    HIS  44           HN       HIS  45  10.446   6.097   6.826
  355    HA   HIS  44           HA       HIS  45  10.913   4.735   5.083
  356    HB2  HIS  44           HB2      HIS  45  12.727   4.184   6.771
  357    HB3  HIS  44           HB1      HIS  45  11.795   2.748   7.183
  358    HD1  HIS  44           HD1      HIS  45  13.148   4.328   3.974
  359    HD2  HIS  44           HD2      HIS  45  12.594   0.604   5.756
  360    HE1  HIS  44           HE1      HIS  45  14.081   2.646   2.355
  361    HE2  HIS  44           HE2      HIS  45  13.534   0.404   3.355
  362    H    SER  45           HN       SER  46   8.280   4.698   5.786
  363    HA   SER  45           HA       SER  46   7.515   1.958   5.101
  364    HB2  SER  45           HB2      SER  46   6.109   3.601   7.223
  365    HB3  SER  45           HB1      SER  46   5.700   1.963   6.724
  366    HG   SER  45           HG       SER  46   8.313   2.355   7.569
  367    H    ALA  46           HN       ALA  47   5.391   1.802   4.182
  368    HA   ALA  46           HA       ALA  47   4.522   4.296   2.869
  369    HB1  ALA  46           HB1      ALA  47   5.300   2.425   1.398
  370    HB2  ALA  46           HB2      ALA  47   3.650   2.950   1.090
  371    HB3  ALA  46           HB3      ALA  47   3.952   1.466   1.994
  372    H    TYR  47           HN       TYR  48   2.476   5.029   3.319
  373    HA   TYR  47           HA       TYR  48   0.791   3.212   4.881
  374    HB2  TYR  47           HB2      TYR  48   0.675   6.207   4.497
  375    HB3  TYR  47           HB1      TYR  48  -0.593   5.293   5.306
  376    HD1  TYR  47           HD2      TYR  48   3.020   6.136   5.464
  377    HD2  TYR  47           HD1      TYR  48  -0.380   4.688   7.575
  378    HE1  TYR  47           HE2      TYR  48   4.281   6.257   7.566
  379    HE2  TYR  47           HE1      TYR  48   0.879   4.804   9.686
  380    HH   TYR  47           HH       TYR  48   3.150   4.852  10.481
  381    H    VAL  48           HN       VAL  49  -0.292   1.953   3.627
  382    HA   VAL  48           HA       VAL  49  -1.374   2.988   1.107
  383    HB   VAL  48           HB       VAL  49  -1.079   0.131   2.037
  384   HG11  VAL  48          HG11      VAL  49  -1.947   1.271  -0.591
  385   HG12  VAL  48          HG12      VAL  49  -2.896   0.275   0.503
  386   HG13  VAL  48          HG13      VAL  49  -1.511  -0.414  -0.344
  387   HG21  VAL  48          HG21      VAL  49   1.064   1.291   1.657
  388   HG22  VAL  48          HG22      VAL  49   0.543   1.644   0.007
  389   HG23  VAL  48          HG23      VAL  49   0.782  -0.026   0.515
  390    H    LYS  49           HN       LYS  50  -3.352   3.723   1.280
  391    HA   LYS  49           HA       LYS  50  -5.201   2.707   3.249
  392    HB2  LYS  49           HB2      LYS  50  -5.696   4.616   0.954
  393    HB3  LYS  49           HB1      LYS  50  -6.745   4.356   2.340
  394    HG2  LYS  49           HG2      LYS  50  -4.927   5.219   3.793
  395    HG3  LYS  49           HG1      LYS  50  -4.011   5.601   2.333
  396    HD2  LYS  49           HD2      LYS  50  -6.089   6.920   1.612
  397    HD3  LYS  49           HD1      LYS  50  -6.588   6.792   3.300
  398    HE2  LYS  49           HE2      LYS  50  -4.362   7.762   3.926
  399    HE3  LYS  49           HE1      LYS  50  -4.092   8.080   2.215
  400    HZ1  LYS  49           HZ1      LYS  50  -6.262   9.195   3.901
  401    HZ2  LYS  49           HZ2      LYS  50  -6.145   9.422   2.227
  402    HZ3  LYS  49           HZ3      LYS  50  -4.944  10.039   3.254
  403    H    ILE  50           HN       ILE  51  -6.357   0.908   2.922
  404    HA   ILE  50           HA       ILE  51  -6.635  -0.018   0.162
  405    HB   ILE  50           HB       ILE  51  -7.183  -2.216   1.062
  406   HG12  ILE  50          HG12      ILE  51  -6.424  -1.087   3.759
  407   HG13  ILE  50          HG11      ILE  51  -8.092  -1.324   3.250
  408   HG21  ILE  50          HG21      ILE  51  -4.719  -1.652   2.452
  409   HG22  ILE  50          HG22      ILE  51  -4.769  -1.013   0.823
  410   HG23  ILE  50          HG23      ILE  51  -5.017  -2.735   1.109
  411   HD11  ILE  50          HD11      ILE  51  -7.712  -3.710   3.052
  412   HD12  ILE  50          HD12      ILE  51  -7.279  -3.142   4.665
  413   HD13  ILE  50          HD13      ILE  51  -6.018  -3.488   3.484
  414    H    ASP  51           HN       ASP  52  -8.562  -1.300  -0.284
  415    HA   ASP  51           HA       ASP  52 -10.956   0.113   0.623
  416    HB2  ASP  51           HB2      ASP  52 -10.587  -0.105  -1.803
  417    HB3  ASP  51           HB1      ASP  52 -10.567  -1.853  -1.643
  418    H    SER  52           HN       SER  53 -11.723  -0.745   2.439
  419    HA   SER  52           HA       SER  53 -11.309  -3.466   3.180
  420    HB2  SER  52           HB2      SER  53 -11.533  -1.480   4.741
  421    HB3  SER  52           HB1      SER  53 -13.266  -1.527   4.426
  422    HG   SER  52           HG       SER  53 -13.152  -3.774   5.165
  423    H    LYS  53           HN       LYS  54 -13.276  -2.318   0.882
  424    HA   LYS  53           HA       LYS  54 -15.613  -3.940   1.469
  425    HB2  LYS  53           HB2      LYS  54 -14.896  -2.248  -0.934
  426    HB3  LYS  53           HB1      LYS  54 -16.423  -3.090  -0.728
  427    HG2  LYS  53           HG2      LYS  54 -15.445  -1.056   1.248
  428    HG3  LYS  53           HG1      LYS  54 -16.366  -0.610  -0.187
  429    HD2  LYS  53           HD2      LYS  54 -17.309  -2.600   1.872
  430    HD3  LYS  53           HD1      LYS  54 -17.741  -0.891   1.881
  431    HE2  LYS  53           HE2      LYS  54 -18.335  -2.864  -0.323
  432    HE3  LYS  53           HE1      LYS  54 -19.494  -2.240   0.845
  433    HZ1  LYS  53           HZ1      LYS  54 -19.100  -0.011  -0.050
  434    HZ2  LYS  53           HZ2      LYS  54 -19.686  -1.066  -1.231
  435    HZ3  LYS  53           HZ3      LYS  54 -18.049  -0.653  -1.207
  436    H    VAL  54           HN       VAL  55 -12.974  -3.813  -0.913
  437    HA   VAL  54           HA       VAL  55 -13.866  -6.331  -2.067
  438    HB   VAL  54           HB       VAL  55 -13.146  -4.457  -3.539
  439   HG11  VAL  54          HG11      VAL  55 -11.328  -3.576  -2.205
  440   HG12  VAL  54          HG12      VAL  55 -10.779  -3.985  -3.831
  441   HG13  VAL  54          HG13      VAL  55 -10.398  -5.049  -2.477
  442   HG21  VAL  54          HG21      VAL  55 -13.161  -6.712  -4.401
  443   HG22  VAL  54          HG22      VAL  55 -11.546  -6.999  -3.754
  444   HG23  VAL  54          HG23      VAL  55 -11.779  -5.833  -5.056
  445    H    THR  55           HN       THR  56 -11.237  -5.156  -0.032
  446    HA   THR  55           HA       THR  56 -10.126  -7.873  -0.025
  447    HB   THR  55           HB       THR  56  -8.877  -6.508  -1.671
  448    HG1  THR  55           HG1      THR  56  -6.803  -6.990  -0.804
  449   HG21  THR  55          HG21      THR  56  -8.339  -4.760   0.719
  450   HG22  THR  55          HG22      THR  56  -9.040  -4.305  -0.829
  451   HG23  THR  55          HG23      THR  56  -7.333  -4.739  -0.727
  452    H    ASN  56           HN       ASN  57  -8.383  -8.077   1.693
  453    HA   ASN  56           HA       ASN  57  -9.106  -6.502   4.080
  454    HB2  ASN  56           HB2      ASN  57  -8.039  -9.329   4.088
  455    HB3  ASN  56           HB1      ASN  57  -8.644  -8.419   5.464
  456   HD21  ASN  56          HD21      ASN  57  -9.415 -10.313   2.721
  457   HD22  ASN  56          HD22      ASN  57 -11.114 -10.475   3.037
  458    H    ARG  57           HN       ARG  58  -7.343  -6.273   5.638
  459    HA   ARG  57           HA       ARG  58  -5.194  -4.988   4.624
  460    HB2  ARG  57           HB2      ARG  58  -5.764  -4.698   6.910
  461    HB3  ARG  57           HB1      ARG  58  -5.492  -6.399   7.265
  462    HG2  ARG  57           HG2      ARG  58  -3.111  -6.122   6.896
  463    HG3  ARG  57           HG1      ARG  58  -3.357  -4.433   6.460
  464    HD2  ARG  57           HD2      ARG  58  -2.584  -4.561   8.732
  465    HD3  ARG  57           HD1      ARG  58  -4.263  -4.023   8.720
  466    HE   ARG  57           HE       ARG  58  -4.143  -6.834   9.017
  467   HH11  ARG  57          HH11      ARG  58  -3.593  -3.859  10.763
  468   HH12  ARG  57          HH12      ARG  58  -3.883  -4.563  12.323
  469   HH21  ARG  57          HH21      ARG  58  -4.521  -7.781  11.064
  470   HH22  ARG  57          HH22      ARG  58  -4.411  -6.805  12.493
  471    H    PHE  58           HN       PHE  59  -5.136  -8.448   5.646
  472    HA   PHE  58           HA       PHE  59  -2.268  -8.432   5.330
  473    HB2  PHE  58           HB2      PHE  59  -3.730  -9.845   6.990
  474    HB3  PHE  58           HB1      PHE  59  -3.819 -10.974   5.642
  475    HD1  PHE  58           HD1      PHE  59  -1.477 -11.498   4.520
  476    HD2  PHE  58           HD2      PHE  59  -2.015 -10.084   8.495
  477    HE1  PHE  58           HE1      PHE  59   0.725 -12.408   5.137
  478    HE2  PHE  58           HE2      PHE  59   0.187 -10.984   9.119
  479    HZ   PHE  58           HZ       PHE  59   1.560 -12.148   7.437
  480    H    GLU  59           HN       GLU  60  -5.015  -9.709   3.540
  481    HA   GLU  59           HA       GLU  60  -3.618 -11.246   1.660
  482    HB2  GLU  59           HB2      GLU  60  -6.149  -9.668   1.181
  483    HB3  GLU  59           HB1      GLU  60  -5.601 -11.069   0.274
  484    HG2  GLU  59           HG2      GLU  60  -5.854 -12.448   2.289
  485    HG3  GLU  59           HG1      GLU  60  -6.460 -11.038   3.157
  486    H    VAL  60           HN       VAL  61  -4.693  -7.879   1.536
  487    HA   VAL  60           HA       VAL  61  -3.511  -7.365  -1.001
  488    HB   VAL  60           HB       VAL  61  -5.469  -6.125  -0.128
  489   HG11  VAL  60          HG11      VAL  61  -4.576  -5.943   2.213
  490   HG12  VAL  60          HG12      VAL  61  -5.327  -4.495   1.556
  491   HG13  VAL  60          HG13      VAL  61  -3.568  -4.614   1.636
  492   HG21  VAL  60          HG21      VAL  61  -3.047  -4.535  -0.893
  493   HG22  VAL  60          HG22      VAL  61  -4.663  -3.842  -0.784
  494   HG23  VAL  60          HG23      VAL  61  -4.332  -5.130  -1.941
  495    H    GLU  61           HN       GLU  62  -2.512  -6.866   2.345
  496    HA   GLU  61           HA       GLU  62  -0.198  -5.350   1.960
  497    HB2  GLU  61           HB2      GLU  62  -1.399  -6.137   4.131
  498    HB3  GLU  61           HB1      GLU  62  -0.384  -7.558   3.994
  499    HG2  GLU  61           HG2      GLU  62   0.644  -4.741   4.205
  500    HG3  GLU  61           HG1      GLU  62   0.459  -5.852   5.556
  501    H    GLN  62           HN       GLN  63  -0.636  -8.874   2.009
  502    HA   GLN  62           HA       GLN  63   2.030  -9.576   1.517
  503    HB2  GLN  62           HB2      GLN  63   0.275 -11.160   2.258
  504    HB3  GLN  62           HB1      GLN  63  -0.462 -11.059   0.665
  505    HG2  GLN  62           HG2      GLN  63   1.558 -11.993  -0.332
  506    HG3  GLN  62           HG1      GLN  63   2.299 -12.089   1.263
  507   HE21  GLN  62          HE21      GLN  63   2.554 -14.300   1.113
  508   HE22  GLN  62          HE22      GLN  63   1.226 -15.400   1.253
  509    H    ALA  63           HN       ALA  64  -0.641  -8.854  -0.689
  510    HA   ALA  63           HA       ALA  64   0.759  -9.360  -3.088
  511    HB1  ALA  63           HB1      ALA  64  -1.517  -7.439  -2.599
  512    HB2  ALA  63           HB2      ALA  64  -1.677  -9.151  -2.996
  513    HB3  ALA  63           HB3      ALA  64  -0.980  -8.036  -4.171
  514    H    ILE  64           HN       ILE  65   0.401  -6.436  -1.107
  515    HA   ILE  64           HA       ILE  65   1.925  -4.712  -2.710
  516    HB   ILE  64           HB       ILE  65   1.137  -4.746   0.155
  517   HG12  ILE  64          HG12      ILE  65   0.937  -2.187  -0.976
  518   HG13  ILE  64          HG11      ILE  65   0.524  -3.304  -2.266
  519   HG21  ILE  64          HG21      ILE  65   3.491  -4.196   0.343
  520   HG22  ILE  64          HG22      ILE  65   2.493  -2.782   0.679
  521   HG23  ILE  64          HG23      ILE  65   3.311  -2.934  -0.875
  522   HD11  ILE  64          HD11      ILE  65  -1.189  -4.297  -0.917
  523   HD12  ILE  64          HD12      ILE  65  -1.428  -2.551  -1.015
  524   HD13  ILE  64          HD13      ILE  65  -0.751  -3.270   0.447
  525    H    ARG  65           HN       ARG  66   2.863  -6.958  -0.132
  526    HA   ARG  65           HA       ARG  66   5.601  -6.450  -0.061
  527    HB2  ARG  65           HB2      ARG  66   4.492  -7.905   1.564
  528    HB3  ARG  65           HB1      ARG  66   4.156  -9.082   0.304
  529    HG2  ARG  65           HG2      ARG  66   6.950  -8.556   0.315
  530    HG3  ARG  65           HG1      ARG  66   6.433  -8.891   1.968
  531    HD2  ARG  65           HD2      ARG  66   5.520 -10.999   1.337
  532    HD3  ARG  65           HD1      ARG  66   5.704 -10.636  -0.381
  533    HE   ARG  65           HE       ARG  66   8.235 -10.494   0.756
  534   HH11  ARG  65          HH11      ARG  66   5.775 -12.960   0.377
  535   HH12  ARG  65          HH12      ARG  66   6.925 -14.243   0.185
  536   HH21  ARG  65          HH21      ARG  66   9.738 -12.171   0.474
  537   HH22  ARG  65          HH22      ARG  66   9.181 -13.800   0.235
  538    H    GLN  66           HN       GLN  67   3.737  -8.573  -2.182
  539    HA   GLN  66           HA       GLN  67   5.872  -9.722  -3.583
  540    HB2  GLN  66           HB2      GLN  67   3.037  -9.133  -4.417
  541    HB3  GLN  66           HB1      GLN  67   4.161 -10.069  -5.399
  542    HG2  GLN  66           HG2      GLN  67   4.304 -11.779  -3.769
  543    HG3  GLN  66           HG1      GLN  67   3.454 -10.802  -2.576
  544   HE21  GLN  66          HE21      GLN  67   2.833 -13.458  -3.600
  545   HE22  GLN  66          HE22      GLN  67   1.243 -13.359  -4.273
  546    H    ALA  67           HN       ALA  68   4.195  -6.661  -4.008
  547    HA   ALA  67           HA       ALA  68   5.383  -5.969  -6.488
  548    HB1  ALA  67           HB1      ALA  68   4.159  -4.295  -4.315
  549    HB2  ALA  67           HB2      ALA  68   3.411  -4.827  -5.820
  550    HB3  ALA  67           HB3      ALA  68   4.712  -3.637  -5.854
  551    H    LEU  68           HN       LEU  69   6.547  -5.891  -3.220
  552    HA   LEU  68           HA       LEU  69   8.877  -4.308  -3.981
  553    HB2  LEU  68           HB2      LEU  69   7.971  -5.509  -1.379
  554    HB3  LEU  68           HB1      LEU  69   9.591  -4.894  -1.572
  555    HG   LEU  68           HG       LEU  69   8.648  -3.049  -0.677
  556   HD11  LEU  68          HD11      LEU  69   9.359  -2.449  -2.967
  557   HD12  LEU  68          HD12      LEU  69   8.098  -1.402  -2.316
  558   HD13  LEU  68          HD13      LEU  69   7.689  -2.645  -3.498
  559   HD21  LEU  68          HD21      LEU  69   6.503  -4.150  -0.345
  560   HD22  LEU  68          HD22      LEU  69   6.030  -3.726  -1.991
  561   HD23  LEU  68          HD23      LEU  69   6.316  -2.455  -0.797
  562    H    GLU  69           HN       GLU  70   7.861  -7.543  -3.792
  563    HA   GLU  69           HA       GLU  70  10.577  -8.599  -3.713
  564    HB2  GLU  69           HB2      GLU  70   7.866  -9.931  -3.658
  565    HB3  GLU  69           HB1      GLU  70   9.386 -10.820  -3.700
  566    HG2  GLU  69           HG2      GLU  70   8.614  -8.858  -1.559
  567    HG3  GLU  69           HG1      GLU  70   8.408 -10.605  -1.443
  Start of MODEL   13
    1    H1   MET   0           HT1      MET   1 -12.055  10.891  -9.946
    2    H2   MET   0           HT2      MET   1 -12.710   9.593  -9.086
    3    H3   MET   0           HT3      MET   1 -12.056   9.340 -10.623
    4    HA   MET   0           HA       MET   1 -10.544   8.549  -8.953
    5    HB2  MET   0           HB2      MET   1  -9.681  11.076 -10.366
    6    HB3  MET   0           HB1      MET   1  -8.565  10.010  -9.529
    7    HG2  MET   0           HG2      MET   1  -9.222   8.179 -11.029
    8    HG3  MET   0           HG1      MET   1 -10.286   9.288 -11.889
    9    HE1  MET   0           HE1      MET   1  -7.968   7.493 -13.231
   10    HE2  MET   0           HE2      MET   1  -7.301   8.649 -14.383
   11    HE3  MET   0           HE3      MET   1  -9.047   8.540 -14.153
   12    H    GLY   1           HN       GLY   2  -9.521   8.782  -7.011
   13    HA2  GLY   1           HA2      GLY   2  -8.889   9.823  -5.021
   14    HA3  GLY   1           HA1      GLY   2  -9.614  11.318  -5.598
   15    H    LYS   2           HN       LYS   3 -10.556  11.566  -3.502
   16    HA   LYS   2           HA       LYS   3 -12.282  11.511  -2.031
   17    HB2  LYS   2           HB2      LYS   3 -13.727  10.032  -4.240
   18    HB3  LYS   2           HB1      LYS   3 -14.484  10.737  -2.820
   19    HG2  LYS   2           HG2      LYS   3 -13.755  12.961  -3.550
   20    HG3  LYS   2           HG1      LYS   3 -13.031  12.237  -4.986
   21    HD2  LYS   2           HD2      LYS   3 -15.205  11.457  -5.725
   22    HD3  LYS   2           HD1      LYS   3 -15.953  12.079  -4.253
   23    HE2  LYS   2           HE2      LYS   3 -14.532  13.752  -6.320
   24    HE3  LYS   2           HE1      LYS   3 -16.280  13.558  -6.203
   25    HZ1  LYS   2           HZ1      LYS   3 -14.536  14.729  -4.101
   26    HZ2  LYS   2           HZ2      LYS   3 -16.213  14.562  -4.011
   27    HZ3  LYS   2           HZ3      LYS   3 -15.530  15.601  -5.154
   28    H    GLU   3           HN       GLU   4 -10.685   9.993  -0.999
   29    HA   GLU   3           HA       GLU   4 -11.020   7.211  -1.044
   30    HB2  GLU   3           HB2      GLU   4  -9.830   9.096   0.972
   31    HB3  GLU   3           HB1      GLU   4  -9.922   7.373   1.288
   32    HG2  GLU   3           HG2      GLU   4  -7.751   7.851   0.458
   33    HG3  GLU   3           HG1      GLU   4  -8.627   6.987  -0.803
   34    HA   PRO   4           HA       PRO   5 -14.938   6.982   1.088
   35    HB2  PRO   4           HB2      PRO   5 -15.001   4.254   1.214
   36    HB3  PRO   4           HB1      PRO   5 -15.452   5.172  -0.218
   37    HG2  PRO   4           HG2      PRO   5 -12.932   3.727   0.402
   38    HG3  PRO   4           HG1      PRO   5 -13.798   3.870  -1.137
   39    HD2  PRO   4           HD2      PRO   5 -11.590   5.306  -0.521
   40    HD3  PRO   4           HD1      PRO   5 -12.839   5.891  -1.626
   41    HA   PRO   5           HA       PRO   6 -13.770   6.461   5.317
   42    HB2  PRO   5           HB2      PRO   6 -16.433   5.448   5.975
   43    HB3  PRO   5           HB1      PRO   6 -15.687   6.987   6.407
   44    HG2  PRO   5           HG2      PRO   6 -17.718   6.824   4.646
   45    HG3  PRO   5           HG1      PRO   6 -16.436   8.037   4.501
   46    HD2  PRO   5           HD2      PRO   6 -16.768   5.445   3.030
   47    HD3  PRO   5           HD1      PRO   6 -16.294   7.042   2.408
   48    H    TYR   6           HN       TYR   7 -13.589   4.043   3.497
   49    HA   TYR   6           HA       TYR   7 -13.613   2.005   5.617
   50    HB2  TYR   6           HB2      TYR   7 -14.086   1.577   2.669
   51    HB3  TYR   6           HB1      TYR   7 -14.021   0.310   3.885
   52    HD1  TYR   6           HD1      TYR   7 -15.793   0.280   5.690
   53    HD2  TYR   6           HD2      TYR   7 -16.089   2.733   2.229
   54    HE1  TYR   6           HE1      TYR   7 -18.210   0.519   6.072
   55    HE2  TYR   6           HE2      TYR   7 -18.507   2.979   2.602
   56    HH   TYR   6           HH       TYR   7 -20.017   2.107   5.500
   57    H    VAL   7           HN       VAL   8 -11.679   3.992   4.133
   58    HA   VAL   7           HA       VAL   8  -9.681   2.361   2.983
   59    HB   VAL   7           HB       VAL   8  -8.219   4.422   3.350
   60   HG11  VAL   7          HG11      VAL   8  -9.400   3.835   1.255
   61   HG12  VAL   7          HG12      VAL   8  -9.215   5.570   1.489
   62   HG13  VAL   7          HG13      VAL   8 -10.771   4.799   1.799
   63   HG21  VAL   7          HG21      VAL   8  -9.395   6.513   3.824
   64   HG22  VAL   7          HG22      VAL   8  -9.469   5.411   5.199
   65   HG23  VAL   7          HG23      VAL   8 -10.873   5.609   4.151
   66    H    SER   8           HN       SER   9  -8.936   0.764   4.244
   67    HA   SER   8           HA       SER   9  -7.998   1.277   6.928
   68    HB2  SER   8           HB2      SER   9  -7.524  -1.171   5.204
   69    HB3  SER   8           HB1      SER   9  -7.392  -1.063   6.958
   70    HG   SER   8           HG       SER   9  -9.793  -0.270   6.503
   71    H    SER   9           HN       SER  10  -6.240   2.554   7.066
   72    HA   SER   9           HA       SER  10  -4.251   2.602   5.001
   73    HB2  SER   9           HB2      SER  10  -3.112   4.223   6.598
   74    HB3  SER   9           HB1      SER  10  -4.720   4.688   6.049
   75    HG   SER   9           HG       SER  10  -3.874   3.808   8.575
   76    H    LEU  10           HN       LEU  11  -2.886   0.973   4.813
   77    HA   LEU  10           HA       LEU  11  -1.944  -0.510   7.122
   78    HB2  LEU  10           HB2      LEU  11  -0.817  -0.821   4.366
   79    HB3  LEU  10           HB1      LEU  11  -1.020  -2.034   5.611
   80    HG   LEU  10           HG       LEU  11  -3.159  -0.885   3.820
   81   HD11  LEU  10          HD11      LEU  11  -2.217  -3.722   4.136
   82   HD12  LEU  10          HD12      LEU  11  -1.605  -2.618   2.903
   83   HD13  LEU  10          HD13      LEU  11  -3.309  -3.076   2.912
   84   HD21  LEU  10          HD21      LEU  11  -4.219  -1.187   5.918
   85   HD22  LEU  10          HD22      LEU  11  -3.399  -2.717   6.187
   86   HD23  LEU  10          HD23      LEU  11  -4.632  -2.585   4.935
   87    H    ARG  11           HN       ARG  12   0.349  -0.709   7.614
   88    HA   ARG  11           HA       ARG  12   1.982   1.487   6.530
   89    HB2  ARG  11           HB2      ARG  12   1.381   1.820   8.943
   90    HB3  ARG  11           HB1      ARG  12   2.231   0.326   9.315
   91    HG2  ARG  11           HG2      ARG  12   4.314   1.288   8.510
   92    HG3  ARG  11           HG1      ARG  12   3.474   2.774   8.070
   93    HD2  ARG  11           HD2      ARG  12   4.583   3.134  10.159
   94    HD3  ARG  11           HD1      ARG  12   2.851   3.049  10.470
   95    HE   ARG  11           HE       ARG  12   3.506   0.553  10.980
   96   HH11  ARG  11          HH11      ARG  12   5.252   3.478  11.849
   97   HH12  ARG  11          HH12      ARG  12   5.914   2.785  13.300
   98   HH21  ARG  11          HH21      ARG  12   4.386  -0.337  12.895
   99   HH22  ARG  11          HH22      ARG  12   5.425   0.630  13.893
  100    H    ILE  12           HN       ILE  13   3.139   0.450   5.021
  101    HA   ILE  12           HA       ILE  13   4.029  -2.286   5.480
  102    HB   ILE  12           HB       ILE  13   4.883  -0.851   3.031
  103   HG12  ILE  12          HG12      ILE  13   2.588   0.003   3.314
  104   HG13  ILE  12          HG11      ILE  13   2.732  -1.057   1.923
  105   HG21  ILE  12          HG21      ILE  13   3.646  -3.552   3.515
  106   HG22  ILE  12          HG22      ILE  13   5.373  -3.207   3.403
  107   HG23  ILE  12          HG23      ILE  13   4.336  -2.984   1.994
  108   HD11  ILE  12          HD11      ILE  13   1.766  -2.896   3.307
  109   HD12  ILE  12          HD12      ILE  13   0.678  -1.536   3.040
  110   HD13  ILE  12          HD13      ILE  13   1.498  -1.714   4.588
  111    H    GLU  13           HN       GLU  14   6.084  -2.858   5.935
  112    HA   GLU  13           HA       GLU  14   8.042  -0.810   6.405
  113    HB2  GLU  13           HB2      GLU  14   8.275  -3.823   6.471
  114    HB3  GLU  13           HB1      GLU  14   9.553  -2.714   6.945
  115    HG2  GLU  13           HG2      GLU  14   7.904  -1.776   8.629
  116    HG3  GLU  13           HG1      GLU  14   6.916  -3.193   8.282
  117    H    ILE  14           HN       ILE  15   9.022   0.135   4.756
  118    HA   ILE  14           HA       ILE  15   9.214  -1.034   2.176
  119    HB   ILE  14           HB       ILE  15  10.680   1.357   3.295
  120   HG12  ILE  14          HG12      ILE  15   8.138   1.187   1.675
  121   HG13  ILE  14          HG11      ILE  15   8.242   1.604   3.381
  122   HG21  ILE  14          HG21      ILE  15  11.511   0.131   1.149
  123   HG22  ILE  14          HG22      ILE  15  11.388   1.893   1.170
  124   HG23  ILE  14          HG23      ILE  15  10.129   0.931   0.397
  125   HD11  ILE  14          HD11      ILE  15   8.004   3.481   1.670
  126   HD12  ILE  14          HD12      ILE  15   9.703   3.195   1.321
  127   HD13  ILE  14          HD13      ILE  15   9.200   3.664   2.946
  128    HA   PRO  15           HA       PRO  16  12.919  -3.468   2.643
  129    HB2  PRO  15           HB2      PRO  16  13.389  -2.817  -0.186
  130    HB3  PRO  15           HB1      PRO  16  13.172  -4.388   0.579
  131    HG2  PRO  15           HG2      PRO  16  11.296  -3.203  -1.004
  132    HG3  PRO  15           HG1      PRO  16  10.910  -4.365   0.268
  133    HD2  PRO  15           HD2      PRO  16  10.522  -1.443   0.211
  134    HD3  PRO  15           HD1      PRO  16   9.675  -2.671   1.148
  135    H    ALA  16           HN       ALA  17  15.150  -3.111   2.697
  136    HA   ALA  16           HA       ALA  17  15.973  -0.441   3.168
  137    HB1  ALA  16           HB1      ALA  17  17.810  -2.760   2.666
  138    HB2  ALA  16           HB2      ALA  17  16.921  -2.568   4.182
  139    HB3  ALA  16           HB3      ALA  17  18.090  -1.344   3.682
  140    H    ASP  17           HN       ASP  18  16.201  -2.594   0.444
  141    HA   ASP  17           HA       ASP  18  18.089  -0.905  -0.960
  142    HB2  ASP  17           HB2      ASP  18  16.673  -3.436  -1.815
  143    HB3  ASP  17           HB1      ASP  18  17.921  -2.614  -2.734
  144    H    ILE  18           HN       ILE  19  14.685  -1.730  -1.100
  145    HA   ILE  18           HA       ILE  19  14.146  -0.360  -3.536
  146    HB   ILE  18           HB       ILE  19  12.419  -1.494  -1.360
  147   HG12  ILE  18          HG12      ILE  19  11.553  -2.895  -3.154
  148   HG13  ILE  18          HG11      ILE  19  12.476  -1.992  -4.344
  149   HG21  ILE  18          HG21      ILE  19  11.338   0.601  -1.962
  150   HG22  ILE  18          HG22      ILE  19  10.407  -0.780  -2.544
  151   HG23  ILE  18          HG23      ILE  19  11.399   0.152  -3.666
  152   HD11  ILE  18          HD11      ILE  19  13.775  -3.514  -2.116
  153   HD12  ILE  18          HD12      ILE  19  14.512  -2.891  -3.590
  154   HD13  ILE  18          HD13      ILE  19  13.382  -4.241  -3.671
  155    H    ALA  19           HN       ALA  20  13.640   1.739  -3.880
  156    HA   ALA  19           HA       ALA  20  14.242   3.586  -1.770
  157    HB1  ALA  19           HB1      ALA  20  13.902   5.316  -3.480
  158    HB2  ALA  19           HB2      ALA  20  13.360   4.072  -4.608
  159    HB3  ALA  19           HB3      ALA  20  15.018   4.056  -4.006
  160    H    ALA  20           HN       ALA  21  12.934   4.989  -0.750
  161    HA   ALA  20           HA       ALA  21  10.081   4.467  -0.787
  162    HB1  ALA  20           HB1      ALA  21  10.033   5.945   1.156
  163    HB2  ALA  20           HB2      ALA  21  11.737   6.322   0.922
  164    HB3  ALA  20           HB3      ALA  21  11.246   4.684   1.352
  165    H    ASN  21           HN       ASN  22   9.481   5.321  -2.800
  166    HA   ASN  21           HA       ASN  22   9.243   8.195  -2.932
  167    HB2  ASN  21           HB2      ASN  22  10.411   8.459  -5.046
  168    HB3  ASN  21           HB1      ASN  22  11.510   7.788  -3.850
  169   HD21  ASN  21          HD21      ASN  22  11.771   7.680  -6.692
  170   HD22  ASN  21          HD22      ASN  22  11.777   6.008  -7.135
  171    H    GLU  22           HN       GLU  23   8.529   8.464  -5.609
  172    HA   GLU  22           HA       GLU  23   5.870   7.540  -5.508
  173    HB2  GLU  22           HB2      GLU  23   6.615   9.568  -6.742
  174    HB3  GLU  22           HB1      GLU  23   7.367   8.526  -7.944
  175    HG2  GLU  22           HG2      GLU  23   5.161   7.541  -8.422
  176    HG3  GLU  22           HG1      GLU  23   4.436   8.668  -7.281
  177    H    ALA  23           HN       ALA  24   8.763   6.153  -6.892
  178    HA   ALA  23           HA       ALA  24   7.609   4.331  -8.683
  179    HB1  ALA  23           HB1      ALA  24  10.006   4.778  -8.624
  180    HB2  ALA  23           HB2      ALA  24   9.683   3.053  -8.459
  181    HB3  ALA  23           HB3      ALA  24  10.121   4.006  -7.042
  182    H    LEU  24           HN       LEU  25   8.269   4.094  -5.219
  183    HA   LEU  24           HA       LEU  25   7.307   1.458  -4.875
  184    HB2  LEU  24           HB2      LEU  25   8.696   2.638  -3.207
  185    HB3  LEU  24           HB1      LEU  25   7.379   3.748  -2.903
  186    HG   LEU  24           HG       LEU  25   6.790   0.865  -2.518
  187   HD11  LEU  24          HD11      LEU  25   8.409   2.442  -0.526
  188   HD12  LEU  24          HD12      LEU  25   9.056   1.163  -1.555
  189   HD13  LEU  24          HD13      LEU  25   7.821   0.787  -0.354
  190   HD21  LEU  24          HD21      LEU  25   6.155   3.371  -0.964
  191   HD22  LEU  24          HD22      LEU  25   5.529   1.758  -0.623
  192   HD23  LEU  24          HD23      LEU  25   5.096   2.572  -2.126
  193    H    LYS  25           HN       LYS  26   5.825   4.631  -4.682
  194    HA   LYS  25           HA       LYS  26   3.286   3.907  -3.790
  195    HB2  LYS  25           HB2      LYS  26   3.946   6.204  -3.836
  196    HB3  LYS  25           HB1      LYS  26   4.224   6.154  -5.565
  197    HG2  LYS  25           HG2      LYS  26   1.764   5.693  -5.822
  198    HG3  LYS  25           HG1      LYS  26   1.605   6.091  -4.113
  199    HD2  LYS  25           HD2      LYS  26   2.584   8.295  -4.545
  200    HD3  LYS  25           HD1      LYS  26   2.720   7.887  -6.256
  201    HE2  LYS  25           HE2      LYS  26   0.311   7.636  -6.414
  202    HE3  LYS  25           HE1      LYS  26   0.141   7.989  -4.697
  203    HZ1  LYS  25           HZ1      LYS  26   1.048  10.197  -5.110
  204    HZ2  LYS  25           HZ2      LYS  26  -0.332   9.931  -6.051
  205    HZ3  LYS  25           HZ3      LYS  26   1.203   9.849  -6.756
  206    H    VAL  26           HN       VAL  27   4.448   4.329  -7.132
  207    HA   VAL  26           HA       VAL  27   1.923   3.755  -8.272
  208    HB   VAL  26           HB       VAL  27   3.058   3.698 -10.434
  209   HG11  VAL  26          HG11      VAL  27   3.918   5.907  -8.583
  210   HG12  VAL  26          HG12      VAL  27   2.438   5.838  -9.540
  211   HG13  VAL  26          HG13      VAL  27   4.001   5.990 -10.342
  212   HG21  VAL  26          HG21      VAL  27   5.097   2.556  -9.865
  213   HG22  VAL  26          HG22      VAL  27   5.588   3.879  -8.808
  214   HG23  VAL  26          HG23      VAL  27   5.491   4.132 -10.550
  215    H    ARG  27           HN       ARG  28   4.689   1.703  -7.509
  216    HA   ARG  27           HA       ARG  28   3.726  -0.525  -8.999
  217    HB2  ARG  27           HB2      ARG  28   5.340  -1.875  -7.819
  218    HB3  ARG  27           HB1      ARG  28   6.087  -0.349  -8.255
  219    HG2  ARG  27           HG2      ARG  28   5.973   0.434  -6.019
  220    HG3  ARG  27           HG1      ARG  28   4.948  -0.915  -5.534
  221    HD2  ARG  27           HD2      ARG  28   7.141  -1.379  -4.749
  222    HD3  ARG  27           HD1      ARG  28   6.839  -2.450  -6.115
  223    HE   ARG  27           HE       ARG  28   8.189  -0.001  -6.825
  224   HH11  ARG  27          HH11      ARG  28   8.571  -3.338  -5.811
  225   HH12  ARG  27          HH12      ARG  28  10.253  -3.410  -6.246
  226   HH21  ARG  27          HH21      ARG  28  10.410  -0.111  -7.415
  227   HH22  ARG  27          HH22      ARG  28  11.289  -1.588  -7.173
  228    H    LEU  28           HN       LEU  29   3.277   0.549  -5.658
  229    HA   LEU  28           HA       LEU  29   1.691  -1.708  -4.925
  230    HB2  LEU  28           HB2      LEU  29   1.908   0.996  -3.603
  231    HB3  LEU  28           HB1      LEU  29   1.219  -0.450  -2.889
  232    HG   LEU  28           HG       LEU  29   4.103   0.081  -3.544
  233   HD11  LEU  28          HD11      LEU  29   3.408   0.991  -1.448
  234   HD12  LEU  28          HD12      LEU  29   4.394  -0.441  -1.145
  235   HD13  LEU  28          HD13      LEU  29   2.639  -0.529  -0.993
  236   HD21  LEU  28          HD21      LEU  29   2.725  -2.490  -2.977
  237   HD22  LEU  28          HD22      LEU  29   4.412  -2.254  -2.547
  238   HD23  LEU  28          HD23      LEU  29   3.901  -2.123  -4.230
  239    H    LEU  29           HN       LEU  30   1.052   1.452  -6.289
  240    HA   LEU  29           HA       LEU  30  -1.716   1.578  -5.891
  241    HB2  LEU  29           HB2      LEU  30   0.150   2.730  -7.913
  242    HB3  LEU  29           HB1      LEU  30  -1.576   2.893  -8.147
  243    HG   LEU  29           HG       LEU  30  -0.057   3.868  -5.728
  244   HD11  LEU  29          HD11      LEU  30   0.581   5.315  -7.412
  245   HD12  LEU  29          HD12      LEU  30  -0.840   6.110  -6.733
  246   HD13  LEU  29          HD13      LEU  30  -0.973   5.204  -8.239
  247   HD21  LEU  29          HD21      LEU  30  -2.026   4.051  -4.732
  248   HD22  LEU  29          HD22      LEU  30  -2.828   3.357  -6.141
  249   HD23  LEU  29          HD23      LEU  30  -2.584   5.100  -6.033
  250    H    GLU  30           HN       GLU  31   0.084  -0.603  -7.767
  251    HA   GLU  30           HA       GLU  31  -2.129  -1.208  -9.563
  252    HB2  GLU  30           HB2      GLU  31   0.658  -2.356  -9.385
  253    HB3  GLU  30           HB1      GLU  31  -0.525  -2.742 -10.628
  254    HG2  GLU  30           HG2      GLU  31   0.530   0.021 -10.115
  255    HG3  GLU  30           HG1      GLU  31   1.201  -1.091 -11.300
  256    H    THR  31           HN       THR  32  -1.814  -1.894  -6.489
  257    HA   THR  31           HA       THR  32  -2.087  -4.809  -6.700
  258    HB   THR  31           HB       THR  32  -1.995  -3.103  -4.204
  259    HG1  THR  31           HG1      THR  32  -0.049  -3.761  -5.966
  260   HG21  THR  31          HG21      THR  32  -2.609  -5.062  -3.278
  261   HG22  THR  31          HG22      THR  32  -0.940  -5.542  -3.582
  262   HG23  THR  31          HG23      THR  32  -2.208  -5.981  -4.727
  263    H    GLU  32           HN       GLU  33  -3.981  -5.894  -6.032
  264    HA   GLU  32           HA       GLU  33  -6.355  -4.556  -6.749
  265    HB2  GLU  32           HB2      GLU  33  -6.041  -6.960  -7.086
  266    HB3  GLU  32           HB1      GLU  33  -6.009  -7.209  -5.346
  267    HG2  GLU  32           HG2      GLU  33  -8.316  -6.441  -5.183
  268    HG3  GLU  32           HG1      GLU  33  -8.351  -6.163  -6.924
  269    H    GLY  33           HN       GLY  34  -7.287  -3.021  -5.572
  270    HA2  GLY  33           HA2      GLY  34  -8.898  -2.665  -3.808
  271    HA3  GLY  33           HA1      GLY  34  -7.913  -3.680  -2.769
  272    H    VAL  34           HN       VAL  35  -5.787  -1.757  -4.426
  273    HA   VAL  34           HA       VAL  35  -5.346  -0.133  -2.099
  274    HB   VAL  34           HB       VAL  35  -3.464   0.839  -3.352
  275   HG11  VAL  34          HG11      VAL  35  -3.757  -2.059  -3.086
  276   HG12  VAL  34          HG12      VAL  35  -2.888  -0.943  -2.050
  277   HG13  VAL  34          HG13      VAL  35  -2.247  -1.362  -3.641
  278   HG21  VAL  34          HG21      VAL  35  -4.364  -0.979  -5.556
  279   HG22  VAL  34          HG22      VAL  35  -2.824  -0.124  -5.511
  280   HG23  VAL  34          HG23      VAL  35  -4.333   0.784  -5.598
  281    H    LYS  35           HN       LYS  36  -6.004   1.876  -1.731
  282    HA   LYS  35           HA       LYS  36  -7.439   3.272  -3.883
  283    HB2  LYS  35           HB2      LYS  36  -7.550   3.656  -0.889
  284    HB3  LYS  35           HB1      LYS  36  -8.499   4.556  -2.063
  285    HG2  LYS  35           HG2      LYS  36  -8.653   1.593  -1.556
  286    HG3  LYS  35           HG1      LYS  36  -9.833   2.804  -1.058
  287    HD2  LYS  35           HD2      LYS  36  -9.071   2.180  -3.900
  288    HD3  LYS  35           HD1      LYS  36 -10.523   1.603  -3.093
  289    HE2  LYS  35           HE2      LYS  36 -11.238   3.925  -2.752
  290    HE3  LYS  35           HE1      LYS  36  -9.798   4.479  -3.601
  291    HZ1  LYS  35           HZ1      LYS  36 -11.666   4.473  -5.085
  292    HZ2  LYS  35           HZ2      LYS  36 -11.989   2.849  -4.755
  293    HZ3  LYS  35           HZ3      LYS  36 -10.576   3.279  -5.574
  294    H    GLU  36           HN       GLU  37  -4.684   3.420  -1.838
  295    HA   GLU  36           HA       GLU  37  -3.668   5.805  -2.977
  296    HB2  GLU  36           HB2      GLU  37  -5.425   6.783  -1.529
  297    HB3  GLU  36           HB1      GLU  37  -4.708   5.981  -0.140
  298    HG2  GLU  36           HG2      GLU  37  -4.081   8.301  -0.182
  299    HG3  GLU  36           HG1      GLU  37  -2.673   7.275  -0.446
  300    H    VAL  37           HN       VAL  38  -1.499   6.035  -2.499
  301    HA   VAL  37           HA       VAL  38  -0.386   4.292  -0.402
  302    HB   VAL  37           HB       VAL  38   0.837   4.607  -3.152
  303   HG11  VAL  37          HG11      VAL  38   2.489   4.381  -1.379
  304   HG12  VAL  37          HG12      VAL  38   2.438   2.920  -2.365
  305   HG13  VAL  37          HG13      VAL  38   1.671   2.942  -0.780
  306   HG21  VAL  37          HG21      VAL  38  -0.344   2.118  -1.939
  307   HG22  VAL  37          HG22      VAL  38   0.261   2.332  -3.582
  308   HG23  VAL  37          HG23      VAL  38  -1.208   3.159  -3.068
  309    H    LEU  38           HN       LEU  39   0.595   5.546   1.010
  310    HA   LEU  38           HA       LEU  39   1.776   8.087   0.090
  311    HB2  LEU  38           HB2      LEU  39  -0.234   8.121   1.620
  312    HB3  LEU  38           HB1      LEU  39   0.776   7.415   2.850
  313    HG   LEU  38           HG       LEU  39   1.594   9.998   1.582
  314   HD11  LEU  38          HD11      LEU  39  -0.851   9.993   2.336
  315   HD12  LEU  38          HD12      LEU  39   0.203  11.253   2.978
  316   HD13  LEU  38          HD13      LEU  39  -0.212   9.857   3.974
  317   HD21  LEU  38          HD21      LEU  39   2.938   8.547   3.229
  318   HD22  LEU  38          HD22      LEU  39   1.819   9.160   4.447
  319   HD23  LEU  38          HD23      LEU  39   2.828  10.280   3.528
  320    H    ILE  39           HN       ILE  40   3.936   8.046   0.089
  321    HA   ILE  39           HA       ILE  40   5.412   6.111   1.618
  322    HB   ILE  39           HB       ILE  40   6.210   8.338  -0.231
  323   HG12  ILE  39          HG12      ILE  40   7.343   6.530  -1.442
  324   HG13  ILE  39          HG11      ILE  40   6.868   5.382  -0.200
  325   HG21  ILE  39          HG21      ILE  40   7.935   7.003   1.815
  326   HG22  ILE  39          HG22      ILE  40   7.896   8.691   1.295
  327   HG23  ILE  39          HG23      ILE  40   8.621   7.467   0.253
  328   HD11  ILE  39          HD11      ILE  40   4.641   5.433  -0.866
  329   HD12  ILE  39          HD12      ILE  40   5.549   5.427  -2.375
  330   HD13  ILE  39          HD13      ILE  40   4.845   6.929  -1.773
  331    H    ALA  40           HN       ALA  41   5.958   6.314   3.653
  332    HA   ALA  40           HA       ALA  41   6.368   8.999   4.797
  333    HB1  ALA  40           HB1      ALA  41   5.847   6.373   6.176
  334    HB2  ALA  40           HB2      ALA  41   4.658   7.655   5.936
  335    HB3  ALA  40           HB3      ALA  41   6.056   7.929   6.978
  336    H    GLU  41           HN       GLU  42   8.489   9.383   4.325
  337    HA   GLU  41           HA       GLU  42  10.390   7.269   4.143
  338    HB2  GLU  41           HB2      GLU  42  10.198   9.803   3.113
  339    HB3  GLU  41           HB1      GLU  42  11.464   9.990   4.322
  340    HG2  GLU  41           HG2      GLU  42  11.440   7.942   2.117
  341    HG3  GLU  41           HG1      GLU  42  12.355   9.452   2.106
  342    H    GLU  42           HN       GLU  43   9.546   9.627   6.597
  343    HA   GLU  42           HA       GLU  43  11.780   9.283   8.277
  344    HB2  GLU  42           HB2      GLU  43   9.981  11.054   8.461
  345    HB3  GLU  42           HB1      GLU  43   8.949   9.826   9.177
  346    HG2  GLU  42           HG2      GLU  43  11.621  10.269  10.383
  347    HG3  GLU  42           HG1      GLU  43  10.385  11.494  10.634
  348    H    GLU  43           HN       GLU  44   8.692   7.596   8.064
  349    HA   GLU  43           HA       GLU  44   9.304   5.661  10.091
  350    HB2  GLU  43           HB2      GLU  44   7.204   5.725   7.915
  351    HB3  GLU  43           HB1      GLU  44   7.290   4.493   9.162
  352    HG2  GLU  43           HG2      GLU  44   7.061   7.395   9.853
  353    HG3  GLU  43           HG1      GLU  44   5.643   6.422   9.465
  354    H    HIS  44           HN       HIS  45  10.231   6.104   6.882
  355    HA   HIS  44           HA       HIS  45  10.827   4.823   5.109
  356    HB2  HIS  44           HB2      HIS  45  12.656   4.285   6.817
  357    HB3  HIS  44           HB1      HIS  45  11.784   2.790   7.134
  358    HD1  HIS  44           HD1      HIS  45  13.806   4.520   4.474
  359    HD2  HIS  44           HD2      HIS  45  12.070   0.811   5.195
  360    HE1  HIS  44           HE1      HIS  45  14.731   2.979   2.708
  361    HE2  HIS  44           HE2      HIS  45  13.540   0.790   3.068
  362    H    SER  45           HN       SER  46   8.216   4.674   5.749
  363    HA   SER  45           HA       SER  46   7.516   1.890   5.163
  364    HB2  SER  45           HB2      SER  46   6.119   3.606   7.230
  365    HB3  SER  45           HB1      SER  46   5.684   1.958   6.779
  366    HG   SER  45           HG       SER  46   8.297   2.477   7.653
  367    H    ALA  46           HN       ALA  47   5.293   1.697   4.323
  368    HA   ALA  46           HA       ALA  47   4.465   4.142   2.889
  369    HB1  ALA  46           HB1      ALA  47   5.304   2.325   1.440
  370    HB2  ALA  46           HB2      ALA  47   3.623   2.730   1.126
  371    HB3  ALA  46           HB3      ALA  47   4.028   1.280   2.045
  372    H    TYR  47           HN       TYR  48   2.554   4.936   3.496
  373    HA   TYR  47           HA       TYR  48   0.690   3.223   4.919
  374    HB2  TYR  47           HB2      TYR  48   0.701   6.190   4.327
  375    HB3  TYR  47           HB1      TYR  48  -0.689   5.373   5.037
  376    HD1  TYR  47           HD2      TYR  48   2.862   6.243   5.584
  377    HD2  TYR  47           HD1      TYR  48  -0.725   4.768   7.331
  378    HE1  TYR  47           HE2      TYR  48   3.865   6.461   7.817
  379    HE2  TYR  47           HE1      TYR  48   0.271   4.981   9.569
  380    HH   TYR  47           HH       TYR  48   3.221   6.660  10.111
  381    H    VAL  48           HN       VAL  49  -0.344   1.899   3.670
  382    HA   VAL  48           HA       VAL  49  -1.311   2.833   1.059
  383    HB   VAL  48           HB       VAL  49  -1.024   0.002   2.067
  384   HG11  VAL  48          HG11      VAL  49  -1.718   1.087  -0.633
  385   HG12  VAL  48          HG12      VAL  49  -2.748   0.127   0.419
  386   HG13  VAL  48          HG13      VAL  49  -1.316  -0.595  -0.316
  387   HG21  VAL  48          HG21      VAL  49   1.130   1.187   1.792
  388   HG22  VAL  48          HG22      VAL  49   0.710   1.476   0.101
  389   HG23  VAL  48          HG23      VAL  49   0.931  -0.173   0.682
  390    H    LYS  49           HN       LYS  50  -3.319   3.562   1.199
  391    HA   LYS  49           HA       LYS  50  -5.153   2.483   3.161
  392    HB2  LYS  49           HB2      LYS  50  -5.535   4.605   1.044
  393    HB3  LYS  49           HB1      LYS  50  -6.731   4.162   2.253
  394    HG2  LYS  49           HG2      LYS  50  -5.077   4.796   4.008
  395    HG3  LYS  49           HG1      LYS  50  -4.041   5.416   2.721
  396    HD2  LYS  49           HD2      LYS  50  -5.969   6.874   2.022
  397    HD3  LYS  49           HD1      LYS  50  -6.787   6.367   3.501
  398    HE2  LYS  49           HE2      LYS  50  -4.981   7.249   4.852
  399    HE3  LYS  49           HE1      LYS  50  -4.080   7.696   3.405
  400    HZ1  LYS  49           HZ1      LYS  50  -5.881   9.230   2.839
  401    HZ2  LYS  49           HZ2      LYS  50  -5.190   9.602   4.336
  402    HZ3  LYS  49           HZ3      LYS  50  -6.688   8.823   4.267
  403    H    ILE  50           HN       ILE  51  -6.334   0.767   2.781
  404    HA   ILE  50           HA       ILE  51  -6.750  -0.020  -0.014
  405    HB   ILE  50           HB       ILE  51  -7.150  -2.264   0.760
  406   HG12  ILE  50          HG12      ILE  51  -6.416  -1.772   3.564
  407   HG13  ILE  50          HG11      ILE  51  -7.984  -1.117   3.104
  408   HG21  ILE  50          HG21      ILE  51  -4.773  -1.164   2.157
  409   HG22  ILE  50          HG22      ILE  51  -4.833  -1.490   0.436
  410   HG23  ILE  50          HG23      ILE  51  -4.974  -2.807   1.599
  411   HD11  ILE  50          HD11      ILE  51  -7.132  -3.978   2.727
  412   HD12  ILE  50          HD12      ILE  51  -8.726  -3.299   2.401
  413   HD13  ILE  50          HD13      ILE  51  -8.120  -3.375   4.055
  414    H    ASP  51           HN       ASP  52  -8.722  -1.032  -0.543
  415    HA   ASP  51           HA       ASP  52 -11.026   0.202   0.759
  416    HB2  ASP  51           HB2      ASP  52 -10.795   0.254  -1.729
  417    HB3  ASP  51           HB1      ASP  52 -10.913  -1.496  -1.740
  418    H    SER  52           HN       SER  53 -11.434  -0.928   2.583
  419    HA   SER  52           HA       SER  53 -10.934  -3.705   2.838
  420    HB2  SER  52           HB2      SER  53 -12.141  -3.446   5.029
  421    HB3  SER  52           HB1      SER  53 -10.806  -2.321   4.788
  422    HG   SER  52           HG       SER  53 -12.165  -0.689   4.674
  423    H    LYS  53           HN       LYS  54 -13.304  -2.265   1.112
  424    HA   LYS  53           HA       LYS  54 -15.423  -4.139   1.764
  425    HB2  LYS  53           HB2      LYS  54 -15.285  -2.077  -0.443
  426    HB3  LYS  53           HB1      LYS  54 -16.715  -2.966   0.060
  427    HG2  LYS  53           HG2      LYS  54 -15.194  -0.977   1.733
  428    HG3  LYS  53           HG1      LYS  54 -16.730  -0.690   0.919
  429    HD2  LYS  53           HD2      LYS  54 -16.258  -2.742   3.078
  430    HD3  LYS  53           HD1      LYS  54 -17.011  -1.166   3.318
  431    HE2  LYS  53           HE2      LYS  54 -18.816  -1.789   1.802
  432    HE3  LYS  53           HE1      LYS  54 -18.056  -3.354   1.521
  433    HZ1  LYS  53           HZ1      LYS  54 -19.844  -3.491   3.148
  434    HZ2  LYS  53           HZ2      LYS  54 -19.052  -2.378   4.141
  435    HZ3  LYS  53           HZ3      LYS  54 -18.356  -3.888   3.847
  436    H    VAL  54           HN       VAL  55 -13.026  -3.538  -0.746
  437    HA   VAL  54           HA       VAL  55 -13.961  -5.864  -2.251
  438    HB   VAL  54           HB       VAL  55 -13.315  -3.687  -3.401
  439   HG11  VAL  54          HG11      VAL  55 -11.269  -3.308  -2.052
  440   HG12  VAL  54          HG12      VAL  55 -11.028  -3.180  -3.793
  441   HG13  VAL  54          HG13      VAL  55 -10.503  -4.628  -2.933
  442   HG21  VAL  54          HG21      VAL  55 -13.586  -5.755  -4.636
  443   HG22  VAL  54          HG22      VAL  55 -11.928  -6.219  -4.260
  444   HG23  VAL  54          HG23      VAL  55 -12.240  -4.822  -5.291
  445    H    THR  55           HN       THR  56 -11.345  -4.875  -0.153
  446    HA   THR  55           HA       THR  56 -10.226  -7.572  -0.333
  447    HB   THR  55           HB       THR  56  -8.919  -6.200  -1.900
  448    HG1  THR  55           HG1      THR  56  -7.254  -7.320  -1.276
  449   HG21  THR  55          HG21      THR  56  -8.438  -4.464   0.509
  450   HG22  THR  55          HG22      THR  56  -9.124  -4.003  -1.045
  451   HG23  THR  55          HG23      THR  56  -7.416  -4.424  -0.924
  452    H    ASN  56           HN       ASN  57  -8.255  -7.596   1.340
  453    HA   ASN  56           HA       ASN  57  -9.179  -6.357   3.852
  454    HB2  ASN  56           HB2      ASN  57  -9.863  -8.757   3.732
  455    HB3  ASN  56           HB1      ASN  57  -8.179  -9.198   3.511
  456   HD21  ASN  56          HD21      ASN  57  -8.085 -10.435   5.354
  457   HD22  ASN  56          HD22      ASN  57  -8.117  -9.751   6.944
  458    H    ARG  57           HN       ARG  58  -7.501  -5.740   5.272
  459    HA   ARG  57           HA       ARG  58  -5.192  -4.764   4.238
  460    HB2  ARG  57           HB2      ARG  58  -5.610  -3.976   6.354
  461    HB3  ARG  57           HB1      ARG  58  -5.974  -5.568   7.001
  462    HG2  ARG  57           HG2      ARG  58  -3.665  -6.130   7.137
  463    HG3  ARG  57           HG1      ARG  58  -3.200  -4.704   6.214
  464    HD2  ARG  57           HD2      ARG  58  -2.762  -4.449   8.614
  465    HD3  ARG  57           HD1      ARG  58  -3.920  -3.264   8.019
  466    HE   ARG  57           HE       ARG  58  -5.284  -5.514   9.038
  467   HH11  ARG  57          HH11      ARG  58  -3.406  -2.756  10.096
  468   HH12  ARG  57          HH12      ARG  58  -4.201  -2.634  11.631
  469   HH21  ARG  57          HH21      ARG  58  -6.334  -5.364  11.074
  470   HH22  ARG  57          HH22      ARG  58  -5.860  -4.129  12.193
  471    H    PHE  58           HN       PHE  59  -5.432  -7.912   5.937
  472    HA   PHE  58           HA       PHE  59  -2.686  -8.465   5.812
  473    HB2  PHE  58           HB2      PHE  59  -4.554  -9.592   7.213
  474    HB3  PHE  58           HB1      PHE  59  -4.797 -10.620   5.809
  475    HD1  PHE  58           HD1      PHE  59  -2.222 -11.344   4.874
  476    HD2  PHE  58           HD2      PHE  59  -3.489 -10.706   8.882
  477    HE1  PHE  58           HE1      PHE  59  -0.448 -12.848   5.668
  478    HE2  PHE  58           HE2      PHE  59  -1.709 -12.199   9.687
  479    HZ   PHE  58           HZ       PHE  59  -0.185 -13.274   8.079
  480    H    GLU  59           HN       GLU  60  -5.319  -9.465   3.642
  481    HA   GLU  59           HA       GLU  60  -3.787 -11.198   2.033
  482    HB2  GLU  59           HB2      GLU  60  -6.280  -9.628   1.358
  483    HB3  GLU  59           HB1      GLU  60  -5.643 -10.956   0.406
  484    HG2  GLU  59           HG2      GLU  60  -6.001 -12.474   2.285
  485    HG3  GLU  59           HG1      GLU  60  -6.646 -11.135   3.235
  486    H    VAL  60           HN       VAL  61  -4.831  -7.855   1.491
  487    HA   VAL  60           HA       VAL  61  -3.450  -7.601  -0.975
  488    HB   VAL  60           HB       VAL  61  -5.450  -6.287  -0.396
  489   HG11  VAL  60          HG11      VAL  61  -4.782  -5.891   1.983
  490   HG12  VAL  60          HG12      VAL  61  -5.438  -4.498   1.131
  491   HG13  VAL  60          HG13      VAL  61  -3.697  -4.631   1.391
  492   HG21  VAL  60          HG21      VAL  61  -2.979  -4.731  -1.069
  493   HG22  VAL  60          HG22      VAL  61  -4.610  -4.077  -1.199
  494   HG23  VAL  60          HG23      VAL  61  -4.132  -5.462  -2.183
  495    H    GLU  61           HN       GLU  62  -2.668  -6.841   2.350
  496    HA   GLU  61           HA       GLU  62  -0.342  -5.346   2.123
  497    HB2  GLU  61           HB2      GLU  62  -1.745  -6.386   4.155
  498    HB3  GLU  61           HB1      GLU  62  -0.465  -7.577   4.102
  499    HG2  GLU  61           HG2      GLU  62   0.071  -4.646   4.360
  500    HG3  GLU  61           HG1      GLU  62  -0.233  -5.686   5.738
  501    H    GLN  62           HN       GLN  63  -0.720  -8.877   2.158
  502    HA   GLN  62           HA       GLN  63   1.999  -9.506   1.808
  503    HB2  GLN  62           HB2      GLN  63   0.203 -11.084   2.572
  504    HB3  GLN  62           HB1      GLN  63  -0.366 -11.155   0.909
  505    HG2  GLN  62           HG2      GLN  63   1.762 -12.082   0.200
  506    HG3  GLN  62           HG1      GLN  63   2.373 -11.972   1.851
  507   HE21  GLN  62          HE21      GLN  63   1.586 -13.380   3.418
  508   HE22  GLN  62          HE22      GLN  63   0.733 -14.825   3.008
  509    H    ALA  63           HN       ALA  64  -0.620  -8.928  -0.495
  510    HA   ALA  63           HA       ALA  64   0.849  -9.515  -2.839
  511    HB1  ALA  63           HB1      ALA  64  -1.445  -7.586  -2.493
  512    HB2  ALA  63           HB2      ALA  64  -1.592  -9.314  -2.818
  513    HB3  ALA  63           HB3      ALA  64  -0.865  -8.248  -4.022
  514    H    ILE  64           HN       ILE  65   0.462  -6.543  -0.946
  515    HA   ILE  64           HA       ILE  65   2.003  -4.851  -2.580
  516    HB   ILE  64           HB       ILE  65   1.173  -4.807   0.279
  517   HG12  ILE  64          HG12      ILE  65   0.895  -2.301  -0.920
  518   HG13  ILE  64          HG11      ILE  65   0.562  -3.453  -2.200
  519   HG21  ILE  64          HG21      ILE  65   3.511  -4.193   0.450
  520   HG22  ILE  64          HG22      ILE  65   2.479  -2.792   0.737
  521   HG23  ILE  64          HG23      ILE  65   3.304  -2.979  -0.810
  522   HD11  ILE  64          HD11      ILE  65  -1.159  -4.482  -0.902
  523   HD12  ILE  64          HD12      ILE  65  -1.451  -2.745  -1.012
  524   HD13  ILE  64          HD13      ILE  65  -0.793  -3.438   0.472
  525    H    ARG  65           HN       ARG  66   2.895  -6.973   0.116
  526    HA   ARG  65           HA       ARG  66   5.626  -6.422   0.191
  527    HB2  ARG  65           HB2      ARG  66   4.566  -7.741   1.922
  528    HB3  ARG  65           HB1      ARG  66   4.165  -9.002   0.769
  529    HG2  ARG  65           HG2      ARG  66   7.009  -8.435   0.825
  530    HG3  ARG  65           HG1      ARG  66   6.385  -8.917   2.403
  531    HD2  ARG  65           HD2      ARG  66   5.780 -10.455  -0.110
  532    HD3  ARG  65           HD1      ARG  66   7.212 -10.775   0.869
  533    HE   ARG  65           HE       ARG  66   4.971 -10.813   2.546
  534   HH11  ARG  65          HH11      ARG  66   6.279 -12.664  -0.129
  535   HH12  ARG  65          HH12      ARG  66   5.640 -14.171   0.444
  536   HH21  ARG  65          HH21      ARG  66   4.136 -12.783   3.299
  537   HH22  ARG  65          HH22      ARG  66   4.411 -14.239   2.396
  538    H    GLN  66           HN       GLN  67   3.798  -8.633  -1.858
  539    HA   GLN  66           HA       GLN  67   6.007  -9.842  -3.138
  540    HB2  GLN  66           HB2      GLN  67   3.137  -9.450  -3.959
  541    HB3  GLN  66           HB1      GLN  67   4.292 -10.348  -4.940
  542    HG2  GLN  66           HG2      GLN  67   4.557 -12.013  -3.312
  543    HG3  GLN  66           HG1      GLN  67   3.780 -11.036  -2.071
  544   HE21  GLN  66          HE21      GLN  67   2.287 -12.642  -1.599
  545   HE22  GLN  66          HE22      GLN  67   0.979 -13.036  -2.660
  546    H    ALA  67           HN       ALA  68   4.205  -6.898  -3.783
  547    HA   ALA  67           HA       ALA  68   5.410  -6.349  -6.303
  548    HB1  ALA  67           HB1      ALA  68   4.025  -4.562  -4.319
  549    HB2  ALA  67           HB2      ALA  68   3.326  -5.307  -5.754
  550    HB3  ALA  67           HB3      ALA  68   4.545  -4.043  -5.922
  551    H    LEU  68           HN       LEU  69   6.396  -5.944  -3.018
  552    HA   LEU  68           HA       LEU  69   8.621  -4.216  -3.717
  553    HB2  LEU  68           HB2      LEU  69   7.862  -5.562  -1.123
  554    HB3  LEU  68           HB1      LEU  69   9.215  -4.463  -1.315
  555    HG   LEU  68           HG       LEU  69   6.364  -3.656  -1.873
  556   HD11  LEU  68          HD11      LEU  69   6.794  -4.395   0.503
  557   HD12  LEU  68          HD12      LEU  69   6.215  -2.745   0.296
  558   HD13  LEU  68          HD13      LEU  69   7.920  -3.049   0.623
  559   HD21  LEU  68          HD21      LEU  69   8.321  -2.380  -2.868
  560   HD22  LEU  68          HD22      LEU  69   8.737  -1.934  -1.214
  561   HD23  LEU  68          HD23      LEU  69   7.184  -1.448  -1.895
  562    H    GLU  69           HN       GLU  70   7.967  -7.568  -2.934
  563    HA   GLU  69           HA       GLU  70  10.768  -8.302  -3.106
  564    HB2  GLU  69           HB2      GLU  70   8.262  -9.945  -2.648
  565    HB3  GLU  69           HB1      GLU  70   9.893 -10.610  -2.677
  566    HG2  GLU  69           HG2      GLU  70   8.815  -8.592  -0.721
  567    HG3  GLU  69           HG1      GLU  70   9.158 -10.291  -0.403
  Start of MODEL   14
    1    H1   MET   0           HT1      MET   1 -17.324  17.023  -0.261
    2    H2   MET   0           HT2      MET   1 -16.000  17.432   0.710
    3    H3   MET   0           HT3      MET   1 -16.585  15.848   0.706
    4    HA   MET   0           HA       MET   1 -15.952  15.573  -1.590
    5    HB2  MET   0           HB2      MET   1 -14.916  18.392  -1.245
    6    HB3  MET   0           HB1      MET   1 -14.451  17.341  -2.575
    7    HG2  MET   0           HG2      MET   1 -16.724  17.253  -3.361
    8    HG3  MET   0           HG1      MET   1 -17.275  18.179  -1.967
    9    HE1  MET   0           HE1      MET   1 -16.924  20.717  -1.625
   10    HE2  MET   0           HE2      MET   1 -15.867  21.720  -2.619
   11    HE3  MET   0           HE3      MET   1 -15.180  20.456  -1.600
   12    H    GLY   1           HN       GLY   2 -14.389  14.115  -1.468
   13    HA2  GLY   1           HA2      GLY   2 -11.800  14.771  -0.414
   14    HA3  GLY   1           HA1      GLY   2 -12.711  13.700   0.641
   15    H    LYS   2           HN       LYS   3 -10.241  13.337  -1.027
   16    HA   LYS   2           HA       LYS   3 -10.975  11.393  -3.024
   17    HB2  LYS   2           HB2      LYS   3  -8.970  12.766  -3.317
   18    HB3  LYS   2           HB1      LYS   3  -8.294  12.130  -1.827
   19    HG2  LYS   2           HG2      LYS   3  -8.202   9.894  -2.841
   20    HG3  LYS   2           HG1      LYS   3  -8.829  10.568  -4.345
   21    HD2  LYS   2           HD2      LYS   3  -6.886  11.963  -4.592
   22    HD3  LYS   2           HD1      LYS   3  -6.290  11.488  -3.004
   23    HE2  LYS   2           HE2      LYS   3  -5.084  10.300  -4.737
   24    HE3  LYS   2           HE1      LYS   3  -6.060   9.173  -3.799
   25    HZ1  LYS   2           HZ1      LYS   3  -6.810  10.290  -6.447
   26    HZ2  LYS   2           HZ2      LYS   3  -7.698   9.162  -5.555
   27    HZ3  LYS   2           HZ3      LYS   3  -6.188   8.741  -6.180
   28    H    GLU   3           HN       GLU   4 -10.225  11.454   0.326
   29    HA   GLU   3           HA       GLU   4  -9.807   8.584   0.510
   30    HB2  GLU   3           HB2      GLU   4  -8.433  10.072   1.884
   31    HB3  GLU   3           HB1      GLU   4  -9.873  10.757   2.615
   32    HG2  GLU   3           HG2      GLU   4 -10.387   8.616   3.647
   33    HG3  GLU   3           HG1      GLU   4  -8.965   7.901   2.886
   34    HA   PRO   4           HA       PRO   5 -14.241   8.264   1.304
   35    HB2  PRO   4           HB2      PRO   5 -14.466   5.678   0.575
   36    HB3  PRO   4           HB1      PRO   5 -14.384   6.989  -0.602
   37    HG2  PRO   4           HG2      PRO   5 -12.318   5.025   0.190
   38    HG3  PRO   4           HG1      PRO   5 -12.584   5.819  -1.370
   39    HD2  PRO   4           HD2      PRO   5 -10.684   6.521   0.558
   40    HD3  PRO   4           HD1      PRO   5 -11.154   7.486  -0.848
   41    HA   PRO   5           HA       PRO   6 -13.982   6.571   5.349
   42    HB2  PRO   5           HB2      PRO   6 -16.807   5.954   5.412
   43    HB3  PRO   5           HB1      PRO   6 -15.955   7.306   6.158
   44    HG2  PRO   5           HG2      PRO   6 -17.703   7.582   4.079
   45    HG3  PRO   5           HG1      PRO   6 -16.368   8.703   4.400
   46    HD2  PRO   5           HD2      PRO   6 -16.538   6.476   2.407
   47    HD3  PRO   5           HD1      PRO   6 -15.840   8.099   2.231
   48    H    TYR   6           HN       TYR   7 -13.530   4.582   3.238
   49    HA   TYR   6           HA       TYR   7 -14.347   2.223   4.786
   50    HB2  TYR   6           HB2      TYR   7 -14.371   2.443   1.778
   51    HB3  TYR   6           HB1      TYR   7 -14.595   0.945   2.670
   52    HD1  TYR   6           HD1      TYR   7 -16.633   0.637   4.066
   53    HD2  TYR   6           HD2      TYR   7 -16.157   3.998   1.500
   54    HE1  TYR   6           HE1      TYR   7 -19.049   1.079   4.205
   55    HE2  TYR   6           HE2      TYR   7 -18.569   4.449   1.633
   56    HH   TYR   6           HH       TYR   7 -20.591   2.989   3.927
   57    H    VAL   7           HN       VAL   8 -11.905   4.062   4.113
   58    HA   VAL   7           HA       VAL   8 -10.000   2.175   3.072
   59    HB   VAL   7           HB       VAL   8  -8.354   3.981   3.452
   60   HG11  VAL   7          HG11      VAL   8  -9.478   3.856   1.330
   61   HG12  VAL   7          HG12      VAL   8  -9.261   5.544   1.780
   62   HG13  VAL   7          HG13      VAL   8 -10.841   4.779   1.958
   63   HG21  VAL   7          HG21      VAL   8 -10.723   5.579   4.402
   64   HG22  VAL   7          HG22      VAL   8  -9.088   6.190   4.150
   65   HG23  VAL   7          HG23      VAL   8  -9.402   5.002   5.414
   66    H    SER   8           HN       SER   9  -8.323   1.265   4.146
   67    HA   SER   8           HA       SER   9  -7.940   1.938   6.975
   68    HB2  SER   8           HB2      SER   9  -9.079  -0.257   6.848
   69    HB3  SER   8           HB1      SER   9  -7.796  -0.858   5.808
   70    HG   SER   8           HG       SER   9  -7.572  -0.030   8.514
   71    H    SER   9           HN       SER  10  -6.030   2.922   7.052
   72    HA   SER   9           HA       SER  10  -4.132   2.611   4.917
   73    HB2  SER   9           HB2      SER  10  -3.870   4.193   7.486
   74    HB3  SER   9           HB1      SER  10  -2.876   4.371   6.039
   75    HG   SER   9           HG       SER  10  -5.679   4.830   6.209
   76    H    LEU  10           HN       LEU  11  -2.770   0.983   4.830
   77    HA   LEU  10           HA       LEU  11  -1.968  -0.489   7.185
   78    HB2  LEU  10           HB2      LEU  11  -0.759  -0.793   4.451
   79    HB3  LEU  10           HB1      LEU  11  -0.900  -1.997   5.713
   80    HG   LEU  10           HG       LEU  11  -3.086  -0.963   3.914
   81   HD11  LEU  10          HD11      LEU  11  -1.960  -3.727   4.318
   82   HD12  LEU  10          HD12      LEU  11  -1.550  -2.647   2.984
   83   HD13  LEU  10          HD13      LEU  11  -3.199  -3.248   3.157
   84   HD21  LEU  10          HD21      LEU  11  -4.007  -1.236   6.142
   85   HD22  LEU  10          HD22      LEU  11  -3.307  -2.843   6.256
   86   HD23  LEU  10          HD23      LEU  11  -4.579  -2.516   5.081
   87    H    ARG  11           HN       ARG  12   0.323  -0.863   7.675
   88    HA   ARG  11           HA       ARG  12   2.072   1.345   6.816
   89    HB2  ARG  11           HB2      ARG  12   1.419   1.537   9.207
   90    HB3  ARG  11           HB1      ARG  12   2.101  -0.058   9.502
   91    HG2  ARG  11           HG2      ARG  12   4.310   0.774   8.842
   92    HG3  ARG  11           HG1      ARG  12   3.619   2.375   8.580
   93    HD2  ARG  11           HD2      ARG  12   4.690   2.301  10.739
   94    HD3  ARG  11           HD1      ARG  12   2.945   2.437  10.952
   95    HE   ARG  11           HE       ARG  12   3.885  -0.277  11.006
   96   HH11  ARG  11          HH11      ARG  12   3.493   2.621  12.929
   97   HH12  ARG  11          HH12      ARG  12   3.336   1.759  14.428
   98   HH21  ARG  11          HH21      ARG  12   3.710  -1.414  12.989
   99   HH22  ARG  11          HH22      ARG  12   3.457  -0.531  14.461
  100    H    ILE  12           HN       ILE  13   3.182   0.334   5.225
  101    HA   ILE  12           HA       ILE  13   4.040  -2.432   5.572
  102    HB   ILE  12           HB       ILE  13   4.883  -0.863   3.192
  103   HG12  ILE  12          HG12      ILE  13   2.568  -0.113   3.457
  104   HG13  ILE  12          HG11      ILE  13   2.737  -1.165   2.061
  105   HG21  ILE  12          HG21      ILE  13   3.822  -3.643   3.610
  106   HG22  ILE  12          HG22      ILE  13   5.510  -3.176   3.399
  107   HG23  ILE  12          HG23      ILE  13   4.369  -2.993   2.066
  108   HD11  ILE  12          HD11      ILE  13   1.807  -3.027   3.375
  109   HD12  ILE  12          HD12      ILE  13   0.696  -1.666   3.244
  110   HD13  ILE  12          HD13      ILE  13   1.593  -1.932   4.739
  111    H    GLU  13           HN       GLU  14   6.024  -2.954   6.260
  112    HA   GLU  13           HA       GLU  14   8.016  -0.918   6.594
  113    HB2  GLU  13           HB2      GLU  14   9.460  -2.750   7.401
  114    HB3  GLU  13           HB1      GLU  14   7.902  -2.714   8.210
  115    HG2  GLU  13           HG2      GLU  14   7.136  -4.606   7.025
  116    HG3  GLU  13           HG1      GLU  14   8.496  -4.540   5.907
  117    H    ILE  14           HN       ILE  15   9.204  -0.167   5.019
  118    HA   ILE  14           HA       ILE  15   9.218  -1.475   2.457
  119    HB   ILE  14           HB       ILE  15  10.484   1.096   3.409
  120   HG12  ILE  14          HG12      ILE  15   8.017   0.642   1.723
  121   HG13  ILE  14          HG11      ILE  15   7.981   0.930   3.456
  122   HG21  ILE  14          HG21      ILE  15  11.478  -0.102   1.332
  123   HG22  ILE  14          HG22      ILE  15  11.094   1.621   1.236
  124   HG23  ILE  14          HG23      ILE  15   9.995   0.432   0.535
  125   HD11  ILE  14          HD11      ILE  15   9.129   2.836   1.452
  126   HD12  ILE  14          HD12      ILE  15   8.877   3.127   3.166
  127   HD13  ILE  14          HD13      ILE  15   7.495   2.927   2.090
  128    HA   PRO  15           HA       PRO  16  13.087  -3.641   2.834
  129    HB2  PRO  15           HB2      PRO  16  13.546  -2.985   0.011
  130    HB3  PRO  15           HB1      PRO  16  13.364  -4.557   0.770
  131    HG2  PRO  15           HG2      PRO  16  11.482  -3.410  -0.837
  132    HG3  PRO  15           HG1      PRO  16  11.117  -4.608   0.403
  133    HD2  PRO  15           HD2      PRO  16  10.628  -1.706   0.384
  134    HD3  PRO  15           HD1      PRO  16   9.802  -2.978   1.290
  135    H    ALA  16           HN       ALA  17  15.201  -3.062   3.172
  136    HA   ALA  16           HA       ALA  17  15.836  -0.297   3.319
  137    HB1  ALA  16           HB1      ALA  17  17.653  -2.693   3.585
  138    HB2  ALA  16           HB2      ALA  17  16.743  -1.935   4.892
  139    HB3  ALA  16           HB3      ALA  17  18.032  -1.044   4.084
  140    H    ASP  17           HN       ASP  18  16.175  -2.669   0.885
  141    HA   ASP  17           HA       ASP  18  18.183  -1.262  -0.639
  142    HB2  ASP  17           HB2      ASP  18  18.091  -3.672  -0.812
  143    HB3  ASP  17           HB1      ASP  18  16.397  -3.617  -1.282
  144    H    ILE  18           HN       ILE  19  14.695  -1.663  -0.685
  145    HA   ILE  18           HA       ILE  19  14.297  -0.309  -3.170
  146    HB   ILE  18           HB       ILE  19  12.487  -1.399  -1.048
  147   HG12  ILE  18          HG12      ILE  19  11.558  -2.691  -2.869
  148   HG13  ILE  18          HG11      ILE  19  12.467  -1.764  -4.045
  149   HG21  ILE  18          HG21      ILE  19  11.499   0.764  -1.538
  150   HG22  ILE  18          HG22      ILE  19  10.513  -0.536  -2.208
  151   HG23  ILE  18          HG23      ILE  19  11.555   0.414  -3.266
  152   HD11  ILE  18          HD11      ILE  19  13.720  -3.506  -1.954
  153   HD12  ILE  18          HD12      ILE  19  14.520  -2.725  -3.317
  154   HD13  ILE  18          HD13      ILE  19  13.362  -4.025  -3.598
  155    H    ALA  19           HN       ALA  20  13.862   1.806  -3.539
  156    HA   ALA  19           HA       ALA  20  14.290   3.666  -1.371
  157    HB1  ALA  19           HB1      ALA  20  13.946   5.384  -3.199
  158    HB2  ALA  19           HB2      ALA  20  13.859   4.022  -4.323
  159    HB3  ALA  19           HB3      ALA  20  15.329   4.300  -3.388
  160    H    ALA  20           HN       ALA  21  12.810   4.785  -0.320
  161    HA   ALA  20           HA       ALA  21  10.013   4.254  -0.766
  162    HB1  ALA  20           HB1      ALA  21   9.729   5.755   1.204
  163    HB2  ALA  20           HB2      ALA  21  11.476   5.965   1.237
  164    HB3  ALA  20           HB3      ALA  21  10.772   4.369   1.500
  165    H    ASN  21           HN       ASN  22   9.399   5.219  -2.694
  166    HA   ASN  21           HA       ASN  22   9.060   8.075  -2.629
  167    HB2  ASN  21           HB2      ASN  22  10.298   8.626  -4.610
  168    HB3  ASN  21           HB1      ASN  22  11.387   7.782  -3.525
  169   HD21  ASN  21          HD21      ASN  22  12.064   5.698  -4.049
  170   HD22  ASN  21          HD22      ASN  22  11.931   5.076  -5.657
  171    H    GLU  22           HN       GLU  23   8.355   8.572  -5.238
  172    HA   GLU  22           HA       GLU  23   5.728   7.621  -5.277
  173    HB2  GLU  22           HB2      GLU  23   6.530   9.710  -6.347
  174    HB3  GLU  22           HB1      GLU  23   7.297   8.747  -7.601
  175    HG2  GLU  22           HG2      GLU  23   5.143   7.904  -8.311
  176    HG3  GLU  22           HG1      GLU  23   4.348   8.782  -7.006
  177    H    ALA  23           HN       ALA  24   8.620   6.316  -6.821
  178    HA   ALA  23           HA       ALA  24   7.405   4.581  -8.658
  179    HB1  ALA  23           HB1      ALA  24   9.808   5.011  -8.642
  180    HB2  ALA  23           HB2      ALA  24   9.476   3.281  -8.558
  181    HB3  ALA  23           HB3      ALA  24   9.959   4.158  -7.106
  182    H    LEU  24           HN       LEU  25   8.191   4.145  -5.242
  183    HA   LEU  24           HA       LEU  25   7.276   1.496  -4.975
  184    HB2  LEU  24           HB2      LEU  25   8.658   2.660  -3.290
  185    HB3  LEU  24           HB1      LEU  25   7.317   3.722  -2.931
  186    HG   LEU  24           HG       LEU  25   6.812   0.815  -2.620
  187   HD11  LEU  24          HD11      LEU  25   8.518   2.399  -0.704
  188   HD12  LEU  24          HD12      LEU  25   9.049   1.029  -1.680
  189   HD13  LEU  24          HD13      LEU  25   7.851   0.793  -0.406
  190   HD21  LEU  24          HD21      LEU  25   6.136   3.274  -1.008
  191   HD22  LEU  24          HD22      LEU  25   5.591   1.636  -0.648
  192   HD23  LEU  24          HD23      LEU  25   5.072   2.432  -2.134
  193    H    LYS  25           HN       LYS  26   5.703   4.618  -4.745
  194    HA   LYS  25           HA       LYS  26   3.208   3.784  -3.799
  195    HB2  LYS  25           HB2      LYS  26   3.785   6.114  -3.797
  196    HB3  LYS  25           HB1      LYS  26   3.990   6.122  -5.537
  197    HG2  LYS  25           HG2      LYS  26   1.560   5.556  -5.729
  198    HG3  LYS  25           HG1      LYS  26   1.437   5.830  -3.997
  199    HD2  LYS  25           HD2      LYS  26   2.335   8.127  -4.371
  200    HD3  LYS  25           HD1      LYS  26   2.210   7.822  -6.106
  201    HE2  LYS  25           HE2      LYS  26  -0.149   7.502  -5.967
  202    HE3  LYS  25           HE1      LYS  26  -0.112   7.537  -4.212
  203    HZ1  LYS  25           HZ1      LYS  26   0.427   9.804  -6.049
  204    HZ2  LYS  25           HZ2      LYS  26   0.633   9.874  -4.371
  205    HZ3  LYS  25           HZ3      LYS  26  -0.907   9.620  -5.024
  206    H    VAL  26           HN       VAL  27   4.306   4.336  -7.149
  207    HA   VAL  26           HA       VAL  27   1.779   3.808  -8.280
  208    HB   VAL  26           HB       VAL  27   2.889   3.738 -10.452
  209   HG11  VAL  26          HG11      VAL  27   3.930   5.903  -8.638
  210   HG12  VAL  26          HG12      VAL  27   2.363   5.888  -9.450
  211   HG13  VAL  26          HG13      VAL  27   3.847   5.989 -10.397
  212   HG21  VAL  26          HG21      VAL  27   4.890   2.516  -9.916
  213   HG22  VAL  26          HG22      VAL  27   5.445   3.814  -8.860
  214   HG23  VAL  26          HG23      VAL  27   5.330   4.081 -10.601
  215    H    ARG  27           HN       ARG  28   4.529   1.670  -7.633
  216    HA   ARG  27           HA       ARG  28   3.413  -0.518  -9.084
  217    HB2  ARG  27           HB2      ARG  28   5.047  -1.932  -7.907
  218    HB3  ARG  27           HB1      ARG  28   5.789  -0.504  -8.608
  219    HG2  ARG  27           HG2      ARG  28   5.887   0.555  -6.440
  220    HG3  ARG  27           HG1      ARG  28   5.038  -0.808  -5.711
  221    HD2  ARG  27           HD2      ARG  28   7.486  -0.863  -5.349
  222    HD3  ARG  27           HD1      ARG  28   6.877  -2.285  -6.194
  223    HE   ARG  27           HE       ARG  28   7.820  -0.181  -7.937
  224   HH11  ARG  27          HH11      ARG  28   8.701  -3.059  -6.146
  225   HH12  ARG  27          HH12      ARG  28  10.139  -3.351  -7.068
  226   HH21  ARG  27          HH21      ARG  28   9.698  -0.574  -9.169
  227   HH22  ARG  27          HH22      ARG  28  10.699  -1.944  -8.800
  228    H    LEU  28           HN       LEU  29   3.219   0.502  -5.691
  229    HA   LEU  28           HA       LEU  29   1.665  -1.747  -4.904
  230    HB2  LEU  28           HB2      LEU  29   1.933   0.952  -3.585
  231    HB3  LEU  28           HB1      LEU  29   1.251  -0.487  -2.851
  232    HG   LEU  28           HG       LEU  29   4.115   0.031  -3.584
  233   HD11  LEU  28          HD11      LEU  29   3.465   0.891  -1.453
  234   HD12  LEU  28          HD12      LEU  29   4.468  -0.539  -1.208
  235   HD13  LEU  28          HD13      LEU  29   2.717  -0.643  -1.013
  236   HD21  LEU  28          HD21      LEU  29   2.749  -2.551  -3.028
  237   HD22  LEU  28          HD22      LEU  29   4.453  -2.325  -2.661
  238   HD23  LEU  28          HD23      LEU  29   3.874  -2.158  -4.320
  239    H    LEU  29           HN       LEU  30   0.927   1.416  -6.222
  240    HA   LEU  29           HA       LEU  30  -1.825   1.476  -5.735
  241    HB2  LEU  29           HB2      LEU  30  -0.071   2.654  -7.847
  242    HB3  LEU  29           HB1      LEU  30  -1.807   2.800  -7.982
  243    HG   LEU  29           HG       LEU  30  -0.154   3.818  -5.671
  244   HD11  LEU  29          HD11      LEU  30   0.365   5.288  -7.327
  245   HD12  LEU  29          HD12      LEU  30  -1.111   6.026  -6.707
  246   HD13  LEU  29          HD13      LEU  30  -1.157   5.057  -8.179
  247   HD21  LEU  29          HD21      LEU  30  -2.170   3.583  -4.651
  248   HD22  LEU  29          HD22      LEU  30  -3.070   3.631  -6.166
  249   HD23  LEU  29          HD23      LEU  30  -2.465   5.125  -5.451
  250    H    GLU  30           HN       GLU  31   0.036  -0.440  -7.944
  251    HA   GLU  30           HA       GLU  31  -2.246  -1.223  -9.538
  252    HB2  GLU  30           HB2      GLU  31   0.600  -2.228  -9.462
  253    HB3  GLU  30           HB1      GLU  31  -0.618  -2.772 -10.607
  254    HG2  GLU  30           HG2      GLU  31   0.258   0.085 -10.330
  255    HG3  GLU  30           HG1      GLU  31   0.959  -1.053 -11.472
  256    H    THR  31           HN       THR  32  -1.795  -1.832  -6.501
  257    HA   THR  31           HA       THR  32  -2.117  -4.737  -6.613
  258    HB   THR  31           HB       THR  32  -1.782  -2.922  -4.216
  259    HG1  THR  31           HG1      THR  32   0.074  -3.004  -5.583
  260   HG21  THR  31          HG21      THR  32  -2.676  -4.806  -3.265
  261   HG22  THR  31          HG22      THR  32  -0.975  -5.259  -3.298
  262   HG23  THR  31          HG23      THR  32  -2.073  -5.866  -4.536
  263    H    GLU  32           HN       GLU  33  -3.999  -5.734  -6.042
  264    HA   GLU  32           HA       GLU  33  -6.364  -4.331  -6.606
  265    HB2  GLU  32           HB2      GLU  33  -6.107  -6.713  -7.059
  266    HB3  GLU  32           HB1      GLU  33  -5.992  -7.048  -5.339
  267    HG2  GLU  32           HG2      GLU  33  -8.179  -7.626  -5.997
  268    HG3  GLU  32           HG1      GLU  33  -8.309  -6.112  -5.104
  269    H    GLY  33           HN       GLY  34  -7.366  -2.930  -5.356
  270    HA2  GLY  33           HA2      GLY  34  -8.863  -2.657  -3.493
  271    HA3  GLY  33           HA1      GLY  34  -7.770  -3.639  -2.528
  272    H    VAL  34           HN       VAL  35  -5.775  -1.721  -4.250
  273    HA   VAL  34           HA       VAL  35  -5.295  -0.033  -1.985
  274    HB   VAL  34           HB       VAL  35  -3.938  -0.202  -4.663
  275   HG11  VAL  34          HG11      VAL  35  -3.783   2.101  -3.885
  276   HG12  VAL  34          HG12      VAL  35  -2.225   1.290  -3.714
  277   HG13  VAL  34          HG13      VAL  35  -3.246   1.544  -2.298
  278   HG21  VAL  34          HG21      VAL  35  -3.691  -2.033  -3.002
  279   HG22  VAL  34          HG22      VAL  35  -2.962  -0.872  -1.898
  280   HG23  VAL  34          HG23      VAL  35  -2.180  -1.240  -3.435
  281    H    LYS  35           HN       LYS  36  -6.212   1.863  -1.615
  282    HA   LYS  35           HA       LYS  36  -7.544   3.302  -3.783
  283    HB2  LYS  35           HB2      LYS  36  -7.512   3.735  -0.793
  284    HB3  LYS  35           HB1      LYS  36  -8.393   4.747  -1.928
  285    HG2  LYS  35           HG2      LYS  36  -8.847   1.794  -1.552
  286    HG3  LYS  35           HG1      LYS  36  -9.813   3.072  -0.813
  287    HD2  LYS  35           HD2      LYS  36  -9.429   2.747  -3.777
  288    HD3  LYS  35           HD1      LYS  36 -10.806   2.103  -2.888
  289    HE2  LYS  35           HE2      LYS  36 -11.353   4.394  -2.149
  290    HE3  LYS  35           HE1      LYS  36 -10.014   5.005  -3.117
  291    HZ1  LYS  35           HZ1      LYS  36 -12.392   3.572  -4.161
  292    HZ2  LYS  35           HZ2      LYS  36 -11.107   4.141  -5.094
  293    HZ3  LYS  35           HZ3      LYS  36 -12.108   5.233  -4.281
  294    H    GLU  36           HN       GLU  37  -4.787   3.493  -1.686
  295    HA   GLU  36           HA       GLU  37  -3.597   5.650  -3.094
  296    HB2  GLU  36           HB2      GLU  37  -5.219   6.989  -1.875
  297    HB3  GLU  36           HB1      GLU  37  -4.773   6.213  -0.365
  298    HG2  GLU  36           HG2      GLU  37  -3.822   8.402  -0.442
  299    HG3  GLU  36           HG1      GLU  37  -2.539   7.200  -0.542
  300    H    VAL  37           HN       VAL  38  -1.438   5.912  -2.520
  301    HA   VAL  37           HA       VAL  38  -0.443   4.253  -0.302
  302    HB   VAL  37           HB       VAL  38   0.832   4.414  -3.040
  303   HG11  VAL  37          HG11      VAL  38   2.477   4.383  -1.236
  304   HG12  VAL  37          HG12      VAL  38   2.500   2.876  -2.150
  305   HG13  VAL  37          HG13      VAL  38   1.723   2.937  -0.570
  306   HG21  VAL  37          HG21      VAL  38  -0.233   1.980  -1.647
  307   HG22  VAL  37          HG22      VAL  38   0.308   2.124  -3.318
  308   HG23  VAL  37          HG23      VAL  38  -1.178   2.919  -2.799
  309    H    LEU  38           HN       LEU  39   0.448   5.567   1.097
  310    HA   LEU  38           HA       LEU  39   1.722   8.047   0.152
  311    HB2  LEU  38           HB2      LEU  39  -0.241   8.082   1.768
  312    HB3  LEU  38           HB1      LEU  39   0.842   7.390   2.946
  313    HG   LEU  38           HG       LEU  39   1.557   9.965   1.595
  314   HD11  LEU  38          HD11      LEU  39  -0.781  10.027   2.504
  315   HD12  LEU  38          HD12      LEU  39   0.338  11.204   3.195
  316   HD13  LEU  38          HD13      LEU  39  -0.088   9.750   4.102
  317   HD21  LEU  38          HD21      LEU  39   2.189   8.629   4.207
  318   HD22  LEU  38          HD22      LEU  39   2.588  10.314   3.874
  319   HD23  LEU  38          HD23      LEU  39   3.303   9.026   2.901
  320    H    ILE  39           HN       ILE  40   3.872   8.011   0.109
  321    HA   ILE  39           HA       ILE  40   5.343   6.021   1.593
  322    HB   ILE  39           HB       ILE  40   6.140   8.196  -0.316
  323   HG12  ILE  39          HG12      ILE  40   7.212   6.344  -1.510
  324   HG13  ILE  39          HG11      ILE  40   6.747   5.232  -0.234
  325   HG21  ILE  39          HG21      ILE  40   7.893   6.838   1.695
  326   HG22  ILE  39          HG22      ILE  40   7.852   8.534   1.201
  327   HG23  ILE  39          HG23      ILE  40   8.541   7.320   0.123
  328   HD11  ILE  39          HD11      ILE  40   4.519   5.283  -0.857
  329   HD12  ILE  39          HD12      ILE  40   5.384   5.271  -2.390
  330   HD13  ILE  39          HD13      ILE  40   4.701   6.776  -1.773
  331    H    ALA  40           HN       ALA  41   5.788   6.261   3.656
  332    HA   ALA  40           HA       ALA  41   6.231   8.939   4.766
  333    HB1  ALA  40           HB1      ALA  41   5.942   6.247   6.087
  334    HB2  ALA  40           HB2      ALA  41   4.710   7.509   6.015
  335    HB3  ALA  40           HB3      ALA  41   6.189   7.768   6.945
  336    H    GLU  41           HN       GLU  42   8.272   9.369   3.900
  337    HA   GLU  41           HA       GLU  42  10.295   7.396   3.708
  338    HB2  GLU  41           HB2      GLU  42   9.909   9.844   2.588
  339    HB3  GLU  41           HB1      GLU  42  11.182  10.201   3.752
  340    HG2  GLU  41           HG2      GLU  42  12.486   8.314   2.804
  341    HG3  GLU  41           HG1      GLU  42  11.245   8.141   1.563
  342    H    GLU  42           HN       GLU  43   9.528   9.842   6.090
  343    HA   GLU  42           HA       GLU  43  11.858   9.632   7.653
  344    HB2  GLU  42           HB2      GLU  43  10.477  10.601   9.470
  345    HB3  GLU  42           HB1      GLU  43  10.344  11.484   7.952
  346    HG2  GLU  42           HG2      GLU  43   8.268  10.363   7.468
  347    HG3  GLU  42           HG1      GLU  43   8.374   9.465   8.976
  348    H    GLU  43           HN       GLU  44   9.143   7.580   7.284
  349    HA   GLU  43           HA       GLU  44   9.733   6.078   9.736
  350    HB2  GLU  43           HB2      GLU  44   7.405   6.813   9.248
  351    HB3  GLU  43           HB1      GLU  44   7.427   5.775   7.830
  352    HG2  GLU  43           HG2      GLU  44   6.306   4.695   9.645
  353    HG3  GLU  43           HG1      GLU  44   7.782   3.829   9.263
  354    H    HIS  44           HN       HIS  45  10.409   6.115   6.470
  355    HA   HIS  44           HA       HIS  45  10.998   4.640   4.852
  356    HB2  HIS  44           HB2      HIS  45  12.794   4.242   6.609
  357    HB3  HIS  44           HB1      HIS  45  11.874   2.831   7.115
  358    HD1  HIS  44           HD1      HIS  45  13.800   4.157   4.140
  359    HD2  HIS  44           HD2      HIS  45  12.279   0.579   5.601
  360    HE1  HIS  44           HE1      HIS  45  14.712   2.367   2.629
  361    HE2  HIS  44           HE2      HIS  45  13.635   0.237   3.428
  362    H    SER  45           HN       SER  46   8.358   4.632   5.538
  363    HA   SER  45           HA       SER  46   7.583   1.860   5.088
  364    HB2  SER  45           HB2      SER  46   7.510   2.253   7.550
  365    HB3  SER  45           HB1      SER  46   6.388   3.582   7.276
  366    HG   SER  45           HG       SER  46   5.895   0.919   6.450
  367    H    ALA  46           HN       ALA  47   5.334   1.667   4.396
  368    HA   ALA  46           HA       ALA  47   4.443   4.085   2.959
  369    HB1  ALA  46           HB1      ALA  47   5.254   2.240   1.520
  370    HB2  ALA  46           HB2      ALA  47   3.570   2.657   1.236
  371    HB3  ALA  46           HB3      ALA  47   3.979   1.216   2.165
  372    H    TYR  47           HN       TYR  48   2.528   4.866   3.532
  373    HA   TYR  47           HA       TYR  48   0.686   3.196   5.047
  374    HB2  TYR  47           HB2      TYR  48   0.689   6.146   4.371
  375    HB3  TYR  47           HB1      TYR  48  -0.670   5.351   5.155
  376    HD1  TYR  47           HD2      TYR  48   3.042   5.637   5.583
  377    HD2  TYR  47           HD1      TYR  48  -0.778   5.473   7.448
  378    HE1  TYR  47           HE2      TYR  48   4.105   5.963   7.775
  379    HE2  TYR  47           HE1      TYR  48   0.277   5.800   9.644
  380    HH   TYR  47           HH       TYR  48   2.458   5.474  10.712
  381    H    VAL  48           HN       VAL  49  -0.414   1.865   3.824
  382    HA   VAL  48           HA       VAL  49  -1.291   2.762   1.166
  383    HB   VAL  48           HB       VAL  49  -1.050  -0.054   2.226
  384   HG11  VAL  48          HG11      VAL  49  -1.645   0.971  -0.523
  385   HG12  VAL  48          HG12      VAL  49  -2.748   0.096   0.530
  386   HG13  VAL  48          HG13      VAL  49  -1.324  -0.712  -0.127
  387   HG21  VAL  48          HG21      VAL  49   1.118   1.099   1.979
  388   HG22  VAL  48          HG22      VAL  49   0.732   1.396   0.282
  389   HG23  VAL  48          HG23      VAL  49   0.928  -0.257   0.864
  390    H    LYS  49           HN       LYS  50  -3.307   3.455   1.140
  391    HA   LYS  49           HA       LYS  50  -5.215   2.593   3.122
  392    HB2  LYS  49           HB2      LYS  50  -5.490   4.438   0.741
  393    HB3  LYS  49           HB1      LYS  50  -6.767   4.131   1.916
  394    HG2  LYS  49           HG2      LYS  50  -5.249   4.994   3.686
  395    HG3  LYS  49           HG1      LYS  50  -4.104   5.433   2.416
  396    HD2  LYS  49           HD2      LYS  50  -5.928   6.807   1.378
  397    HD3  LYS  49           HD1      LYS  50  -6.896   6.488   2.818
  398    HE2  LYS  49           HE2      LYS  50  -4.164   7.756   2.867
  399    HE3  LYS  49           HE1      LYS  50  -5.677   8.663   2.876
  400    HZ1  LYS  49           HZ1      LYS  50  -6.264   7.742   4.960
  401    HZ2  LYS  49           HZ2      LYS  50  -4.659   8.274   5.102
  402    HZ3  LYS  49           HZ3      LYS  50  -4.987   6.624   4.920
  403    H    ILE  50           HN       ILE  51  -6.465   0.906   2.950
  404    HA   ILE  50           HA       ILE  51  -6.760  -0.357   0.316
  405    HB   ILE  50           HB       ILE  51  -7.239  -2.413   1.448
  406   HG12  ILE  50          HG12      ILE  51  -7.062  -0.939   4.077
  407   HG13  ILE  50          HG11      ILE  51  -8.587  -1.319   3.288
  408   HG21  ILE  50          HG21      ILE  51  -4.917  -2.039   1.294
  409   HG22  ILE  50          HG22      ILE  51  -5.202  -2.641   2.922
  410   HG23  ILE  50          HG23      ILE  51  -4.927  -0.919   2.651
  411   HD11  ILE  50          HD11      ILE  51  -8.109  -3.689   3.471
  412   HD12  ILE  50          HD12      ILE  51  -8.041  -2.910   5.051
  413   HD13  ILE  50          HD13      ILE  51  -6.549  -3.330   4.211
  414    H    ASP  51           HN       ASP  52  -8.734  -0.978  -0.443
  415    HA   ASP  51           HA       ASP  52 -11.086   0.258   0.720
  416    HB2  ASP  51           HB2      ASP  52 -10.789   0.225  -1.726
  417    HB3  ASP  51           HB1      ASP  52 -10.767  -1.529  -1.703
  418    H    SER  52           HN       SER  53 -11.904  -0.728   2.448
  419    HA   SER  52           HA       SER  53 -11.275  -3.400   3.129
  420    HB2  SER  52           HB2      SER  53 -13.390  -1.604   4.328
  421    HB3  SER  52           HB1      SER  53 -12.668  -3.027   5.084
  422    HG   SER  52           HG       SER  53 -11.620  -0.473   4.702
  423    H    LYS  53           HN       LYS  54 -13.499  -2.325   0.914
  424    HA   LYS  53           HA       LYS  54 -15.515  -4.337   1.503
  425    HB2  LYS  53           HB2      LYS  54 -15.338  -2.351  -0.770
  426    HB3  LYS  53           HB1      LYS  54 -16.705  -3.408  -0.447
  427    HG2  LYS  53           HG2      LYS  54 -15.693  -1.219   1.360
  428    HG3  LYS  53           HG1      LYS  54 -17.131  -1.150   0.342
  429    HD2  LYS  53           HD2      LYS  54 -16.700  -3.104   2.604
  430    HD3  LYS  53           HD1      LYS  54 -17.655  -1.626   2.707
  431    HE2  LYS  53           HE2      LYS  54 -19.174  -2.462   1.005
  432    HE3  LYS  53           HE1      LYS  54 -18.198  -3.918   0.823
  433    HZ1  LYS  53           HZ1      LYS  54 -20.127  -4.317   2.214
  434    HZ2  LYS  53           HZ2      LYS  54 -19.640  -3.103   3.285
  435    HZ3  LYS  53           HZ3      LYS  54 -18.705  -4.499   3.110
  436    H    VAL  54           HN       VAL  55 -12.994  -3.680  -0.891
  437    HA   VAL  54           HA       VAL  55 -13.672  -6.143  -2.303
  438    HB   VAL  54           HB       VAL  55 -13.124  -4.102  -3.604
  439   HG11  VAL  54          HG11      VAL  55 -11.390  -3.230  -2.099
  440   HG12  VAL  54          HG12      VAL  55 -10.867  -3.303  -3.779
  441   HG13  VAL  54          HG13      VAL  55 -10.311  -4.518  -2.630
  442   HG21  VAL  54          HG21      VAL  55 -12.891  -6.277  -4.641
  443   HG22  VAL  54          HG22      VAL  55 -11.252  -6.427  -4.008
  444   HG23  VAL  54          HG23      VAL  55 -11.623  -5.193  -5.213
  445    H    THR  55           HN       THR  56 -11.246  -4.942  -0.081
  446    HA   THR  55           HA       THR  56  -9.958  -7.570  -0.166
  447    HB   THR  55           HB       THR  56  -8.661  -6.123  -1.668
  448    HG1  THR  55           HG1      THR  56  -7.035  -7.232  -0.937
  449   HG21  THR  55          HG21      THR  56  -8.412  -4.358   0.757
  450   HG22  THR  55          HG22      THR  56  -9.046  -3.939  -0.830
  451   HG23  THR  55          HG23      THR  56  -7.324  -4.255  -0.624
  452    H    ASN  56           HN       ASN  57  -7.987  -7.315   1.548
  453    HA   ASN  56           HA       ASN  57  -8.942  -6.078   4.021
  454    HB2  ASN  56           HB2      ASN  57  -9.831  -8.401   4.018
  455    HB3  ASN  56           HB1      ASN  57  -8.201  -9.012   3.773
  456   HD21  ASN  56          HD21      ASN  57  -8.263 -10.200   5.671
  457   HD22  ASN  56          HD22      ASN  57  -8.142  -9.452   7.225
  458    H    ARG  57           HN       ARG  58  -7.184  -5.803   5.569
  459    HA   ARG  57           HA       ARG  58  -4.906  -4.786   4.468
  460    HB2  ARG  57           HB2      ARG  58  -5.244  -4.123   6.660
  461    HB3  ARG  57           HB1      ARG  58  -5.497  -5.767   7.234
  462    HG2  ARG  57           HG2      ARG  58  -3.185  -6.253   7.165
  463    HG3  ARG  57           HG1      ARG  58  -2.833  -4.803   6.230
  464    HD2  ARG  57           HD2      ARG  58  -2.162  -4.620   8.593
  465    HD3  ARG  57           HD1      ARG  58  -3.343  -3.406   8.122
  466    HE   ARG  57           HE       ARG  58  -5.029  -4.899   9.212
  467   HH11  ARG  57          HH11      ARG  58  -1.656  -5.038  10.159
  468   HH12  ARG  57          HH12      ARG  58  -2.006  -5.557  11.777
  469   HH21  ARG  57          HH21      ARG  58  -5.493  -5.555  11.330
  470   HH22  ARG  57          HH22      ARG  58  -4.197  -5.841  12.449
  471    H    PHE  58           HN       PHE  59  -5.103  -8.020   6.019
  472    HA   PHE  58           HA       PHE  59  -2.375  -8.586   5.644
  473    HB2  PHE  58           HB2      PHE  59  -4.088  -9.757   7.173
  474    HB3  PHE  58           HB1      PHE  59  -4.511 -10.709   5.756
  475    HD1  PHE  58           HD1      PHE  59  -2.211 -11.570   4.496
  476    HD2  PHE  58           HD2      PHE  59  -2.720 -10.822   8.651
  477    HE1  PHE  58           HE1      PHE  59  -0.382 -13.139   4.997
  478    HE2  PHE  58           HE2      PHE  59  -0.885 -12.377   9.158
  479    HZ   PHE  58           HZ       PHE  59   0.288 -13.537   7.333
  480    H    GLU  59           HN       GLU  60  -5.189  -9.257   3.646
  481    HA   GLU  59           HA       GLU  60  -3.948 -11.041   1.841
  482    HB2  GLU  59           HB2      GLU  60  -6.312  -9.231   1.315
  483    HB3  GLU  59           HB1      GLU  60  -5.920 -10.722   0.474
  484    HG2  GLU  59           HG2      GLU  60  -6.733 -10.478   3.360
  485    HG3  GLU  59           HG1      GLU  60  -7.741 -11.055   2.035
  486    H    VAL  60           HN       VAL  61  -4.771  -7.597   1.541
  487    HA   VAL  60           HA       VAL  61  -3.533  -7.308  -0.995
  488    HB   VAL  60           HB       VAL  61  -5.389  -5.895  -0.172
  489   HG11  VAL  60          HG11      VAL  61  -5.136  -4.249   1.468
  490   HG12  VAL  60          HG12      VAL  61  -3.387  -4.441   1.515
  491   HG13  VAL  60          HG13      VAL  61  -4.431  -5.709   2.156
  492   HG21  VAL  60          HG21      VAL  61  -2.873  -4.481  -0.981
  493   HG22  VAL  60          HG22      VAL  61  -4.452  -3.706  -0.926
  494   HG23  VAL  60          HG23      VAL  61  -4.170  -5.057  -2.023
  495    H    GLU  61           HN       GLU  62  -2.527  -6.765   2.320
  496    HA   GLU  61           HA       GLU  62  -0.081  -5.484   2.025
  497    HB2  GLU  61           HB2      GLU  62  -1.462  -6.330   4.109
  498    HB3  GLU  61           HB1      GLU  62  -0.445  -7.747   3.961
  499    HG2  GLU  61           HG2      GLU  62   0.546  -4.941   4.384
  500    HG3  GLU  61           HG1      GLU  62   0.320  -6.153   5.639
  501    H    GLN  62           HN       GLN  63  -0.846  -8.951   1.916
  502    HA   GLN  62           HA       GLN  63   1.713  -9.955   1.457
  503    HB2  GLN  62           HB2      GLN  63  -0.239 -11.391   1.921
  504    HB3  GLN  62           HB1      GLN  63  -0.904 -10.989   0.343
  505    HG2  GLN  62           HG2      GLN  63   1.105 -11.978  -0.701
  506    HG3  GLN  62           HG1      GLN  63   1.633 -12.498   0.896
  507   HE21  GLN  62          HE21      GLN  63  -1.146 -13.088   1.717
  508   HE22  GLN  62          HE22      GLN  63  -1.547 -14.573   0.927
  509    H    ALA  63           HN       ALA  64  -0.765  -8.918  -0.866
  510    HA   ALA  63           HA       ALA  64   0.756  -9.398  -3.185
  511    HB1  ALA  63           HB1      ALA  64  -1.434  -7.368  -2.767
  512    HB2  ALA  63           HB2      ALA  64  -1.661  -9.058  -3.218
  513    HB3  ALA  63           HB3      ALA  64  -0.844  -7.952  -4.323
  514    H    ILE  64           HN       ILE  65   0.588  -6.601  -1.043
  515    HA   ILE  64           HA       ILE  65   2.042  -4.813  -2.655
  516    HB   ILE  64           HB       ILE  65   1.298  -4.904   0.213
  517   HG12  ILE  64          HG12      ILE  65   1.079  -2.326  -0.839
  518   HG13  ILE  64          HG11      ILE  65   0.704  -3.392  -2.182
  519   HG21  ILE  64          HG21      ILE  65   3.648  -4.352   0.417
  520   HG22  ILE  64          HG22      ILE  65   2.659  -2.932   0.752
  521   HG23  ILE  64          HG23      ILE  65   3.480  -3.089  -0.801
  522   HD11  ILE  64          HD11      ILE  65  -1.045  -4.437  -0.938
  523   HD12  ILE  64          HD12      ILE  65  -1.274  -2.687  -0.921
  524   HD13  ILE  64          HD13      ILE  65  -0.628  -3.505   0.502
  525    H    ARG  65           HN       ARG  66   3.185  -7.018  -0.062
  526    HA   ARG  65           HA       ARG  66   5.871  -6.177  -0.275
  527    HB2  ARG  65           HB2      ARG  66   6.412  -8.414   0.787
  528    HB3  ARG  65           HB1      ARG  66   5.414  -7.307   1.715
  529    HG2  ARG  65           HG2      ARG  66   4.051  -9.029   2.029
  530    HG3  ARG  65           HG1      ARG  66   3.611  -8.890   0.327
  531    HD2  ARG  65           HD2      ARG  66   5.158 -10.541  -0.317
  532    HD3  ARG  65           HD1      ARG  66   6.004 -10.467   1.228
  533    HE   ARG  65           HE       ARG  66   3.557 -11.279   1.969
  534   HH11  ARG  65          HH11      ARG  66   5.723 -12.422  -0.531
  535   HH12  ARG  65          HH12      ARG  66   5.177 -14.064  -0.430
  536   HH21  ARG  65          HH21      ARG  66   2.866 -13.447   2.133
  537   HH22  ARG  65          HH22      ARG  66   3.565 -14.652   1.098
  538    H    GLN  66           HN       GLN  67   4.072  -8.664  -1.930
  539    HA   GLN  66           HA       GLN  67   6.230  -9.888  -3.262
  540    HB2  GLN  66           HB2      GLN  67   3.340  -9.609  -4.063
  541    HB3  GLN  66           HB1      GLN  67   4.498 -10.675  -4.857
  542    HG2  GLN  66           HG2      GLN  67   4.798 -11.948  -2.857
  543    HG3  GLN  66           HG1      GLN  67   3.820 -10.818  -1.940
  544   HE21  GLN  66          HE21      GLN  67   3.805 -13.402  -4.248
  545   HE22  GLN  66          HE22      GLN  67   2.107 -13.728  -4.182
  546    H    ALA  67           HN       ALA  68   4.310  -7.042  -4.020
  547    HA   ALA  67           HA       ALA  68   5.326  -6.618  -6.628
  548    HB1  ALA  67           HB1      ALA  68   4.180  -4.709  -4.607
  549    HB2  ALA  67           HB2      ALA  68   3.326  -5.498  -5.931
  550    HB3  ALA  67           HB3      ALA  68   4.550  -4.275  -6.275
  551    H    LEU  68           HN       LEU  69   6.628  -6.118  -3.481
  552    HA   LEU  68           HA       LEU  69   8.803  -4.444  -4.468
  553    HB2  LEU  68           HB2      LEU  69   8.239  -5.521  -1.710
  554    HB3  LEU  68           HB1      LEU  69   9.495  -4.369  -2.122
  555    HG   LEU  68           HG       LEU  69   6.562  -3.838  -2.503
  556   HD11  LEU  68          HD11      LEU  69   7.095  -4.164  -0.149
  557   HD12  LEU  68          HD12      LEU  69   6.667  -2.489  -0.504
  558   HD13  LEU  68          HD13      LEU  69   8.358  -2.941  -0.272
  559   HD21  LEU  68          HD21      LEU  69   9.032  -2.240  -2.818
  560   HD22  LEU  68          HD22      LEU  69   7.499  -1.455  -2.475
  561   HD23  LEU  68          HD23      LEU  69   7.691  -2.428  -3.934
  562    H    GLU  69           HN       GLU  70   8.096  -7.710  -3.533
  563    HA   GLU  69           HA       GLU  70  10.860  -8.510  -3.402
  564    HB2  GLU  69           HB2      GLU  70   9.170  -9.425  -1.861
  565    HB3  GLU  69           HB1      GLU  70   8.334 -10.167  -3.225
  566    HG2  GLU  69           HG2      GLU  70   9.747 -11.746  -2.034
  567    HG3  GLU  69           HG1      GLU  70  10.275 -11.521  -3.695
  Start of MODEL   15
    1    H1   MET   0           HT1      MET   1  -6.122  14.622  -6.361
    2    H2   MET   0           HT2      MET   1  -7.763  14.361  -6.052
    3    H3   MET   0           HT3      MET   1  -7.282  15.099  -7.496
    4    HA   MET   0           HA       MET   1  -7.925  12.791  -7.821
    5    HB2  MET   0           HB2      MET   1  -5.019  13.490  -8.263
    6    HB3  MET   0           HB1      MET   1  -5.777  12.058  -8.941
    7    HG2  MET   0           HG2      MET   1  -5.690  13.783 -10.601
    8    HG3  MET   0           HG1      MET   1  -7.366  13.494 -10.146
    9    HE1  MET   0           HE1      MET   1  -7.979  15.802 -11.388
   10    HE2  MET   0           HE2      MET   1  -6.278  16.081 -11.757
   11    HE3  MET   0           HE3      MET   1  -7.232  17.347 -10.984
   12    H    GLY   1           HN       GLY   2  -8.122  12.425  -5.306
   13    HA2  GLY   1           HA2      GLY   2  -6.808   9.956  -4.753
   14    HA3  GLY   1           HA1      GLY   2  -6.166  11.259  -3.760
   15    H    LYS   2           HN       LYS   3  -9.372  10.316  -4.908
   16    HA   LYS   2           HA       LYS   3 -10.833  11.259  -2.750
   17    HB2  LYS   2           HB2      LYS   3 -11.954  10.717  -4.780
   18    HB3  LYS   2           HB1      LYS   3 -11.378   9.060  -4.738
   19    HG2  LYS   2           HG2      LYS   3 -13.700   9.094  -4.174
   20    HG3  LYS   2           HG1      LYS   3 -12.772   8.664  -2.738
   21    HD2  LYS   2           HD2      LYS   3 -12.953  10.991  -1.955
   22    HD3  LYS   2           HD1      LYS   3 -13.927  11.377  -3.376
   23    HE2  LYS   2           HE2      LYS   3 -14.621   9.412  -1.197
   24    HE3  LYS   2           HE1      LYS   3 -15.364  10.986  -1.464
   25    HZ1  LYS   2           HZ1      LYS   3 -16.735   9.210  -2.341
   26    HZ2  LYS   2           HZ2      LYS   3 -15.476   8.678  -3.331
   27    HZ3  LYS   2           HZ3      LYS   3 -16.180  10.191  -3.599
   28    H    GLU   3           HN       GLU   4 -11.007  10.641  -0.723
   29    HA   GLU   3           HA       GLU   4 -10.207   7.908   0.010
   30    HB2  GLU   3           HB2      GLU   4  -8.899   9.731   1.046
   31    HB3  GLU   3           HB1      GLU   4 -10.378  10.390   1.730
   32    HG2  GLU   3           HG2      GLU   4 -10.667   8.204   2.932
   33    HG3  GLU   3           HG1      GLU   4  -9.036   7.791   2.404
   34    HA   PRO   4           HA       PRO   5 -14.653   7.655   0.904
   35    HB2  PRO   4           HB2      PRO   5 -14.812   4.976   0.610
   36    HB3  PRO   4           HB1      PRO   5 -14.839   6.077  -0.767
   37    HG2  PRO   4           HG2      PRO   5 -12.627   4.392   0.277
   38    HG3  PRO   4           HG1      PRO   5 -13.047   4.789  -1.396
   39    HD2  PRO   4           HD2      PRO   5 -11.047   5.988   0.062
   40    HD3  PRO   4           HD1      PRO   5 -11.815   6.702  -1.363
   41    HA   PRO   5           HA       PRO   6 -14.170   6.557   5.147
   42    HB2  PRO   5           HB2      PRO   6 -16.958   5.796   5.378
   43    HB3  PRO   5           HB1      PRO   6 -16.162   7.264   5.947
   44    HG2  PRO   5           HG2      PRO   6 -17.975   7.234   3.915
   45    HG3  PRO   5           HG1      PRO   6 -16.673   8.430   4.045
   46    HD2  PRO   5           HD2      PRO   6 -16.822   5.964   2.351
   47    HD3  PRO   5           HD1      PRO   6 -16.206   7.579   1.944
   48    H    TYR   6           HN       TYR   7 -13.725   4.335   3.237
   49    HA   TYR   6           HA       TYR   7 -14.288   2.140   5.104
   50    HB2  TYR   6           HB2      TYR   7 -14.548   1.962   2.105
   51    HB3  TYR   6           HB1      TYR   7 -14.698   0.612   3.218
   52    HD1  TYR   6           HD1      TYR   7 -16.596   0.677   4.916
   53    HD2  TYR   6           HD2      TYR   7 -16.401   3.290   1.565
   54    HE1  TYR   6           HE1      TYR   7 -19.003   1.129   5.134
   55    HE2  TYR   6           HE2      TYR   7 -18.806   3.747   1.775
   56    HH   TYR   6           HH       TYR   7 -20.807   2.688   2.716
   57    H    VAL   7           HN       VAL   8 -11.979   3.964   4.071
   58    HA   VAL   7           HA       VAL   8 -10.095   2.096   3.004
   59    HB   VAL   7           HB       VAL   8  -8.450   3.926   3.356
   60   HG11  VAL   7          HG11      VAL   8  -9.595   3.796   1.255
   61   HG12  VAL   7          HG12      VAL   8  -9.456   5.490   1.720
   62   HG13  VAL   7          HG13      VAL   8 -10.992   4.644   1.917
   63   HG21  VAL   7          HG21      VAL   8  -9.234   6.134   4.049
   64   HG22  VAL   7          HG22      VAL   8  -9.442   4.946   5.336
   65   HG23  VAL   7          HG23      VAL   8 -10.831   5.463   4.381
   66    H    SER   8           HN       SER   9  -8.413   1.100   4.023
   67    HA   SER   8           HA       SER   9  -7.998   1.717   6.874
   68    HB2  SER   8           HB2      SER   9  -7.396  -0.971   5.605
   69    HB3  SER   8           HB1      SER   9  -7.371  -0.556   7.315
   70    HG   SER   8           HG       SER   9  -9.652  -0.153   7.134
   71    H    SER   9           HN       SER  10  -6.134   2.748   7.157
   72    HA   SER   9           HA       SER  10  -4.201   2.832   5.014
   73    HB2  SER   9           HB2      SER  10  -4.165   4.174   7.729
   74    HB3  SER   9           HB1      SER  10  -3.077   4.531   6.386
   75    HG   SER   9           HG       SER  10  -5.892   4.902   6.468
   76    H    LEU  10           HN       LEU  11  -3.045   1.008   4.838
   77    HA   LEU  10           HA       LEU  11  -2.050  -0.401   7.145
   78    HB2  LEU  10           HB2      LEU  11  -1.168  -0.809   4.298
   79    HB3  LEU  10           HB1      LEU  11  -1.112  -1.961   5.613
   80    HG   LEU  10           HG       LEU  11  -3.484  -1.066   4.009
   81   HD11  LEU  10          HD11      LEU  11  -2.306  -3.757   4.667
   82   HD12  LEU  10          HD12      LEU  11  -2.178  -2.901   3.132
   83   HD13  LEU  10          HD13      LEU  11  -3.746  -3.480   3.689
   84   HD21  LEU  10          HD21      LEU  11  -3.547  -2.554   6.633
   85   HD22  LEU  10          HD22      LEU  11  -4.910  -2.371   5.533
   86   HD23  LEU  10          HD23      LEU  11  -4.212  -0.954   6.316
   87    H    ARG  11           HN       ARG  12   0.136  -0.624   7.724
   88    HA   ARG  11           HA       ARG  12   1.861   1.536   6.716
   89    HB2  ARG  11           HB2      ARG  12   1.172   1.606   9.159
   90    HB3  ARG  11           HB1      ARG  12   2.116   0.137   9.381
   91    HG2  ARG  11           HG2      ARG  12   4.127   1.303   8.672
   92    HG3  ARG  11           HG1      ARG  12   3.190   2.773   8.396
   93    HD2  ARG  11           HD2      ARG  12   4.275   2.967  10.514
   94    HD3  ARG  11           HD1      ARG  12   2.552   2.740  10.796
   95    HE   ARG  11           HE       ARG  12   3.966   0.267  10.844
   96   HH11  ARG  11          HH11      ARG  12   3.184   3.094  12.749
   97   HH12  ARG  11          HH12      ARG  12   3.449   2.300  14.268
   98   HH21  ARG  11          HH21      ARG  12   4.317  -0.783  12.839
   99   HH22  ARG  11          HH22      ARG  12   4.100   0.095  14.320
  100    H    ILE  12           HN       ILE  13   3.028   0.591   5.156
  101    HA   ILE  12           HA       ILE  13   3.879  -2.176   5.431
  102    HB   ILE  12           HB       ILE  13   4.729  -0.512   3.112
  103   HG12  ILE  12          HG12      ILE  13   2.407   0.192   3.378
  104   HG13  ILE  12          HG11      ILE  13   2.580  -0.837   1.965
  105   HG21  ILE  12          HG21      ILE  13   3.694  -3.320   3.387
  106   HG22  ILE  12          HG22      ILE  13   5.386  -2.838   3.272
  107   HG23  ILE  12          HG23      ILE  13   4.304  -2.594   1.900
  108   HD11  ILE  12          HD11      ILE  13   1.660  -2.724   3.236
  109   HD12  ILE  12          HD12      ILE  13   0.547  -1.363   3.168
  110   HD13  ILE  12          HD13      ILE  13   1.469  -1.673   4.637
  111    H    GLU  13           HN       GLU  14   5.938  -2.789   5.863
  112    HA   GLU  13           HA       GLU  14   7.877  -0.730   6.430
  113    HB2  GLU  13           HB2      GLU  14   7.775  -2.519   8.002
  114    HB3  GLU  13           HB1      GLU  14   7.861  -3.731   6.730
  115    HG2  GLU  13           HG2      GLU  14  10.121  -3.071   6.233
  116    HG3  GLU  13           HG1      GLU  14  10.059  -1.824   7.475
  117    H    ILE  14           HN       ILE  15   8.902   0.112   4.753
  118    HA   ILE  14           HA       ILE  15   9.144  -1.144   2.233
  119    HB   ILE  14           HB       ILE  15  10.667   1.210   3.363
  120   HG12  ILE  14          HG12      ILE  15   8.222   1.101   1.595
  121   HG13  ILE  14          HG11      ILE  15   8.245   1.565   3.294
  122   HG21  ILE  14          HG21      ILE  15  11.619  -0.052   1.322
  123   HG22  ILE  14          HG22      ILE  15  11.466   1.704   1.246
  124   HG23  ILE  14          HG23      ILE  15  10.272   0.681   0.448
  125   HD11  ILE  14          HD11      ILE  15   8.167   3.447   1.640
  126   HD12  ILE  14          HD12      ILE  15   9.811   3.015   1.189
  127   HD13  ILE  14          HD13      ILE  15   9.454   3.533   2.836
  128    HA   PRO  15           HA       PRO  16  12.678  -3.790   2.819
  129    HB2  PRO  15           HB2      PRO  16  13.385  -3.049   0.058
  130    HB3  PRO  15           HB1      PRO  16  13.049  -4.638   0.736
  131    HG2  PRO  15           HG2      PRO  16  11.338  -3.336  -0.913
  132    HG3  PRO  15           HG1      PRO  16  10.809  -4.483   0.320
  133    HD2  PRO  15           HD2      PRO  16  10.631  -1.531   0.283
  134    HD3  PRO  15           HD1      PRO  16   9.609  -2.710   1.113
  135    H    ALA  16           HN       ALA  17  14.861  -3.527   3.221
  136    HA   ALA  16           HA       ALA  17  15.692  -0.898   3.832
  137    HB1  ALA  16           HB1      ALA  17  17.368  -3.397   3.730
  138    HB2  ALA  16           HB2      ALA  17  16.388  -2.886   5.103
  139    HB3  ALA  16           HB3      ALA  17  17.757  -1.905   4.584
  140    H    ASP  17           HN       ASP  18  16.129  -2.890   1.037
  141    HA   ASP  17           HA       ASP  18  18.228  -1.191  -0.045
  142    HB2  ASP  17           HB2      ASP  18  18.451  -3.518  -0.560
  143    HB3  ASP  17           HB1      ASP  18  16.787  -3.615  -1.129
  144    H    ILE  18           HN       ILE  19  14.795  -1.673  -0.339
  145    HA   ILE  18           HA       ILE  19  14.532  -0.155  -2.759
  146    HB   ILE  18           HB       ILE  19  12.568  -1.399  -0.862
  147   HG12  ILE  18          HG12      ILE  19  11.858  -2.642  -2.813
  148   HG13  ILE  18          HG11      ILE  19  12.846  -1.646  -3.862
  149   HG21  ILE  18          HG21      ILE  19  11.603   0.773  -1.379
  150   HG22  ILE  18          HG22      ILE  19  10.706  -0.515  -2.182
  151   HG23  ILE  18          HG23      ILE  19  11.834   0.479  -3.102
  152   HD11  ILE  18          HD11      ILE  19  13.966  -3.425  -1.725
  153   HD12  ILE  18          HD12      ILE  19  14.846  -2.600  -3.008
  154   HD13  ILE  18          HD13      ILE  19  13.744  -3.918  -3.400
  155    H    ALA  19           HN       ALA  20  14.066   1.967  -2.979
  156    HA   ALA  19           HA       ALA  20  14.400   3.635  -0.638
  157    HB1  ALA  19           HB1      ALA  20  14.240   5.485  -2.364
  158    HB2  ALA  19           HB2      ALA  20  14.189   4.208  -3.581
  159    HB3  ALA  19           HB3      ALA  20  15.595   4.370  -2.530
  160    H    ALA  20           HN       ALA  21  12.895   4.930   0.272
  161    HA   ALA  20           HA       ALA  21  10.118   4.533  -0.285
  162    HB1  ALA  20           HB1      ALA  21   9.801   6.323   1.424
  163    HB2  ALA  20           HB2      ALA  21  11.551   6.538   1.463
  164    HB3  ALA  20           HB3      ALA  21  10.843   5.010   1.976
  165    H    ASN  21           HN       ASN  22   9.591   5.188  -2.331
  166    HA   ASN  21           HA       ASN  22   9.671   8.030  -2.875
  167    HB2  ASN  21           HB2      ASN  22  10.742   7.721  -5.100
  168    HB3  ASN  21           HB1      ASN  22  11.825   7.382  -3.756
  169   HD21  ASN  21          HD21      ASN  22  13.164   6.126  -5.039
  170   HD22  ASN  21          HD22      ASN  22  12.715   4.543  -5.575
  171    H    GLU  22           HN       GLU  23   8.835   8.247  -5.360
  172    HA   GLU  22           HA       GLU  23   6.149   7.392  -5.222
  173    HB2  GLU  22           HB2      GLU  23   6.941   9.467  -6.349
  174    HB3  GLU  22           HB1      GLU  23   7.621   8.474  -7.628
  175    HG2  GLU  22           HG2      GLU  23   5.417   7.664  -8.212
  176    HG3  GLU  22           HG1      GLU  23   4.707   8.582  -6.885
  177    H    ALA  23           HN       ALA  24   8.971   5.970  -6.690
  178    HA   ALA  23           HA       ALA  24   7.750   4.284  -8.566
  179    HB1  ALA  23           HB1      ALA  24  10.176   4.637  -8.436
  180    HB2  ALA  23           HB2      ALA  24   9.759   2.925  -8.427
  181    HB3  ALA  23           HB3      ALA  24  10.221   3.727  -6.926
  182    H    LEU  24           HN       LEU  25   8.445   3.812  -5.126
  183    HA   LEU  24           HA       LEU  25   7.364   1.248  -4.823
  184    HB2  LEU  24           HB2      LEU  25   8.660   2.429  -3.082
  185    HB3  LEU  24           HB1      LEU  25   7.347   3.561  -2.876
  186    HG   LEU  24           HG       LEU  25   6.611   0.732  -2.496
  187   HD11  LEU  24          HD11      LEU  25   8.322   2.145  -0.456
  188   HD12  LEU  24          HD12      LEU  25   8.888   0.843  -1.506
  189   HD13  LEU  24          HD13      LEU  25   7.613   0.534  -0.328
  190   HD21  LEU  24          HD21      LEU  25   6.148   3.275  -0.942
  191   HD22  LEU  24          HD22      LEU  25   5.424   1.710  -0.575
  192   HD23  LEU  24          HD23      LEU  25   5.035   2.529  -2.088
  193    H    LYS  25           HN       LYS  26   5.907   4.436  -4.667
  194    HA   LYS  25           HA       LYS  26   3.337   3.688  -3.844
  195    HB2  LYS  25           HB2      LYS  26   4.217   5.985  -3.762
  196    HB3  LYS  25           HB1      LYS  26   4.178   6.060  -5.515
  197    HG2  LYS  25           HG2      LYS  26   1.775   5.865  -5.504
  198    HG3  LYS  25           HG1      LYS  26   1.780   5.678  -3.752
  199    HD2  LYS  25           HD2      LYS  26   2.521   7.886  -3.414
  200    HD3  LYS  25           HD1      LYS  26   2.919   8.089  -5.116
  201    HE2  LYS  25           HE2      LYS  26   0.480   7.814  -5.630
  202    HE3  LYS  25           HE1      LYS  26   0.177   7.814  -3.897
  203    HZ1  LYS  25           HZ1      LYS  26   1.425  10.039  -5.419
  204    HZ2  LYS  25           HZ2      LYS  26   1.120  10.030  -3.757
  205    HZ3  LYS  25           HZ3      LYS  26  -0.168  10.006  -4.849
  206    H    VAL  26           HN       VAL  27   4.639   4.243  -7.120
  207    HA   VAL  26           HA       VAL  27   2.149   3.870  -8.401
  208    HB   VAL  26           HB       VAL  27   3.355   3.692 -10.502
  209   HG11  VAL  26          HG11      VAL  27   4.497   5.789  -8.668
  210   HG12  VAL  26          HG12      VAL  27   2.990   5.898  -9.577
  211   HG13  VAL  26          HG13      VAL  27   4.532   5.842 -10.430
  212   HG21  VAL  26          HG21      VAL  27   5.208   2.300  -9.891
  213   HG22  VAL  26          HG22      VAL  27   5.834   3.535  -8.801
  214   HG23  VAL  26          HG23      VAL  27   5.829   3.817 -10.542
  215    H    ARG  27           HN       ARG  28   4.690   1.590  -7.490
  216    HA   ARG  27           HA       ARG  28   3.597  -0.652  -8.827
  217    HB2  ARG  27           HB2      ARG  28   5.106  -0.568  -6.210
  218    HB3  ARG  27           HB1      ARG  28   4.750  -2.022  -7.116
  219    HG2  ARG  27           HG2      ARG  28   6.028  -0.843  -9.028
  220    HG3  ARG  27           HG1      ARG  28   6.672   0.147  -7.719
  221    HD2  ARG  27           HD2      ARG  28   7.201  -2.065  -6.543
  222    HD3  ARG  27           HD1      ARG  28   6.909  -2.817  -8.112
  223    HE   ARG  27           HE       ARG  28   8.751  -0.671  -8.367
  224   HH11  ARG  27          HH11      ARG  28   8.502  -4.012  -7.320
  225   HH12  ARG  27          HH12      ARG  28  10.194  -4.332  -7.558
  226   HH21  ARG  27          HH21      ARG  28  10.961  -1.105  -8.685
  227   HH22  ARG  27          HH22      ARG  28  11.590  -2.687  -8.335
  228    H    LEU  28           HN       LEU  29   3.169   0.536  -5.513
  229    HA   LEU  28           HA       LEU  29   1.368  -1.518  -4.781
  230    HB2  LEU  28           HB2      LEU  29   1.732   1.161  -3.455
  231    HB3  LEU  28           HB1      LEU  29   1.053  -0.284  -2.734
  232    HG   LEU  28           HG       LEU  29   3.915   0.248  -3.465
  233   HD11  LEU  28          HD11      LEU  29   3.277   1.073  -1.318
  234   HD12  LEU  28          HD12      LEU  29   4.275  -0.365  -1.102
  235   HD13  LEU  28          HD13      LEU  29   2.525  -0.466  -0.901
  236   HD21  LEU  28          HD21      LEU  29   2.637  -2.370  -2.790
  237   HD22  LEU  28          HD22      LEU  29   4.369  -2.076  -2.717
  238   HD23  LEU  28          HD23      LEU  29   3.515  -1.959  -4.256
  239    H    LEU  29           HN       LEU  30   0.911   1.661  -6.186
  240    HA   LEU  29           HA       LEU  30  -1.862   1.876  -5.696
  241    HB2  LEU  29           HB2      LEU  30   0.037   3.117  -7.625
  242    HB3  LEU  29           HB1      LEU  30  -1.682   3.313  -7.892
  243    HG   LEU  29           HG       LEU  30  -0.225   4.126  -5.376
  244   HD11  LEU  29          HD11      LEU  30   0.494   5.614  -7.037
  245   HD12  LEU  29          HD12      LEU  30  -0.841   6.440  -6.233
  246   HD13  LEU  29          HD13      LEU  30  -1.095   5.668  -7.798
  247   HD21  LEU  29          HD21      LEU  30  -2.240   4.238  -4.453
  248   HD22  LEU  29          HD22      LEU  30  -3.003   3.738  -5.963
  249   HD23  LEU  29          HD23      LEU  30  -2.690   5.446  -5.655
  250    H    GLU  30           HN       GLU  31  -0.189  -0.329  -7.586
  251    HA   GLU  30           HA       GLU  31  -2.522  -0.848  -9.287
  252    HB2  GLU  30           HB2      GLU  31   0.256  -2.009  -9.444
  253    HB3  GLU  30           HB1      GLU  31  -1.033  -2.214 -10.622
  254    HG2  GLU  30           HG2      GLU  31   0.149   0.446  -9.904
  255    HG3  GLU  30           HG1      GLU  31   0.731  -0.558 -11.221
  256    H    THR  31           HN       THR  32  -1.990  -1.580  -6.302
  257    HA   THR  31           HA       THR  32  -2.018  -4.491  -6.483
  258    HB   THR  31           HB       THR  32  -1.996  -2.667  -4.070
  259    HG1  THR  31           HG1      THR  32  -0.008  -3.852  -5.661
  260   HG21  THR  31          HG21      THR  32  -2.814  -4.658  -3.211
  261   HG22  THR  31          HG22      THR  32  -1.074  -4.867  -3.030
  262   HG23  THR  31          HG23      THR  32  -1.923  -5.643  -4.367
  263    H    GLU  32           HN       GLU  33  -3.747  -5.769  -5.788
  264    HA   GLU  32           HA       GLU  33  -6.277  -4.802  -6.517
  265    HB2  GLU  32           HB2      GLU  33  -5.564  -7.166  -6.703
  266    HB3  GLU  32           HB1      GLU  33  -5.628  -7.303  -4.952
  267    HG2  GLU  32           HG2      GLU  33  -8.030  -6.793  -5.020
  268    HG3  GLU  32           HG1      GLU  33  -7.949  -6.725  -6.780
  269    H    GLY  33           HN       GLY  34  -7.296  -3.276  -5.383
  270    HA2  GLY  33           HA2      GLY  34  -8.950  -2.981  -3.659
  271    HA3  GLY  33           HA1      GLY  34  -7.923  -3.898  -2.575
  272    H    VAL  34           HN       VAL  35  -6.131  -1.726  -4.437
  273    HA   VAL  34           HA       VAL  35  -5.623  -0.071  -2.131
  274    HB   VAL  34           HB       VAL  35  -3.998   1.094  -3.521
  275   HG11  VAL  34          HG11      VAL  35  -3.236  -0.905  -2.485
  276   HG12  VAL  34          HG12      VAL  35  -2.566  -0.841  -4.106
  277   HG13  VAL  34          HG13      VAL  35  -3.934  -1.897  -3.757
  278   HG21  VAL  34          HG21      VAL  35  -3.610   0.419  -5.848
  279   HG22  VAL  34          HG22      VAL  35  -5.205   1.138  -5.625
  280   HG23  VAL  34          HG23      VAL  35  -5.038  -0.612  -5.777
  281    H    LYS  35           HN       LYS  36  -6.160   2.053  -1.834
  282    HA   LYS  35           HA       LYS  36  -7.864   3.295  -3.892
  283    HB2  LYS  35           HB2      LYS  36  -7.858   3.789  -0.910
  284    HB3  LYS  35           HB1      LYS  36  -8.861   4.639  -2.076
  285    HG2  LYS  35           HG2      LYS  36  -8.967   1.699  -1.445
  286    HG3  LYS  35           HG1      LYS  36 -10.135   2.920  -0.942
  287    HD2  LYS  35           HD2      LYS  36  -9.500   2.261  -3.808
  288    HD3  LYS  35           HD1      LYS  36 -10.839   1.560  -2.913
  289    HE2  LYS  35           HE2      LYS  36 -11.783   3.784  -2.571
  290    HE3  LYS  35           HE1      LYS  36 -10.432   4.496  -3.450
  291    HZ1  LYS  35           HZ1      LYS  36 -12.409   4.247  -4.842
  292    HZ2  LYS  35           HZ2      LYS  36 -12.382   2.573  -4.600
  293    HZ3  LYS  35           HZ3      LYS  36 -11.117   3.327  -5.431
  294    H    GLU  36           HN       GLU  37  -5.139   3.631  -1.761
  295    HA   GLU  36           HA       GLU  37  -3.952   5.674  -3.299
  296    HB2  GLU  36           HB2      GLU  37  -5.487   7.188  -2.269
  297    HB3  GLU  36           HB1      GLU  37  -5.222   6.482  -0.681
  298    HG2  GLU  36           HG2      GLU  37  -3.031   7.382  -0.564
  299    HG3  GLU  36           HG1      GLU  37  -3.088   7.902  -2.246
  300    H    VAL  37           HN       VAL  38  -1.796   5.852  -2.838
  301    HA   VAL  37           HA       VAL  38  -0.804   4.307  -0.534
  302    HB   VAL  37           HB       VAL  38   0.444   4.528  -3.277
  303   HG11  VAL  37          HG11      VAL  38   2.123   4.560  -1.487
  304   HG12  VAL  37          HG12      VAL  38   2.194   3.065  -2.420
  305   HG13  VAL  37          HG13      VAL  38   1.439   3.077  -0.828
  306   HG21  VAL  37          HG21      VAL  38  -0.358   1.994  -1.916
  307   HG22  VAL  37          HG22      VAL  38  -0.102   2.302  -3.632
  308   HG23  VAL  37          HG23      VAL  38  -1.540   2.933  -2.825
  309    H    LEU  38           HN       LEU  39   0.473   5.361   0.819
  310    HA   LEU  38           HA       LEU  39   1.619   7.944  -0.019
  311    HB2  LEU  38           HB2      LEU  39   0.644   7.000   2.645
  312    HB3  LEU  38           HB1      LEU  39   1.637   8.425   2.455
  313    HG   LEU  38           HG       LEU  39  -0.244   9.202   0.831
  314   HD11  LEU  38          HD11      LEU  39  -1.451   7.062   0.805
  315   HD12  LEU  38          HD12      LEU  39  -2.450   8.380   1.416
  316   HD13  LEU  38          HD13      LEU  39  -1.741   7.218   2.538
  317   HD21  LEU  38          HD21      LEU  39   0.003   9.195   3.745
  318   HD22  LEU  38          HD22      LEU  39  -1.540   9.763   3.106
  319   HD23  LEU  38          HD23      LEU  39  -0.036  10.551   2.620
  320    H    ILE  39           HN       ILE  40   3.750   8.324   0.355
  321    HA   ILE  39           HA       ILE  40   5.317   6.082   1.407
  322    HB   ILE  39           HB       ILE  40   5.921   8.311  -0.476
  323   HG12  ILE  39          HG12      ILE  40   7.186   6.539  -1.627
  324   HG13  ILE  39          HG11      ILE  40   6.811   5.424  -0.320
  325   HG21  ILE  39          HG21      ILE  40   7.888   7.179   1.475
  326   HG22  ILE  39          HG22      ILE  40   7.603   8.864   1.022
  327   HG23  ILE  39          HG23      ILE  40   8.401   7.770  -0.109
  328   HD11  ILE  39          HD11      ILE  40   4.547   5.353  -0.917
  329   HD12  ILE  39          HD12      ILE  40   5.446   5.230  -2.425
  330   HD13  ILE  39          HD13      ILE  40   4.693   6.759  -1.965
  331    H    ALA  40           HN       ALA  41   6.324   6.203   3.297
  332    HA   ALA  40           HA       ALA  41   6.632   8.841   4.573
  333    HB1  ALA  40           HB1      ALA  41   6.351   6.165   5.927
  334    HB2  ALA  40           HB2      ALA  41   5.057   7.352   5.763
  335    HB3  ALA  40           HB3      ALA  41   6.487   7.731   6.724
  336    H    GLU  41           HN       GLU  42   8.637   9.104   3.512
  337    HA   GLU  41           HA       GLU  42  10.703   7.230   3.385
  338    HB2  GLU  41           HB2      GLU  42  10.792  10.237   3.388
  339    HB3  GLU  41           HB1      GLU  42  12.156   9.217   2.967
  340    HG2  GLU  41           HG2      GLU  42  11.117   8.454   1.021
  341    HG3  GLU  41           HG1      GLU  42   9.534   9.019   1.544
  342    H    GLU  42           HN       GLU  43   9.926   9.621   5.853
  343    HA   GLU  42           HA       GLU  43  12.309   9.421   7.335
  344    HB2  GLU  42           HB2      GLU  43  10.688  11.254   7.593
  345    HB3  GLU  42           HB1      GLU  43   9.530  10.133   8.294
  346    HG2  GLU  42           HG2      GLU  43  11.010   9.765  10.180
  347    HG3  GLU  42           HG1      GLU  43  12.215  10.824   9.449
  348    H    GLU  43           HN       GLU  44   9.302   7.596   7.444
  349    HA   GLU  43           HA       GLU  44  10.215   6.001   9.700
  350    HB2  GLU  43           HB2      GLU  44   7.715   5.736   8.014
  351    HB3  GLU  43           HB1      GLU  44   8.037   4.892   9.521
  352    HG2  GLU  43           HG2      GLU  44   7.802   7.876   9.247
  353    HG3  GLU  43           HG1      GLU  44   6.500   6.804   9.759
  354    H    HIS  44           HN       HIS  45  10.739   6.037   6.454
  355    HA   HIS  44           HA       HIS  45  11.193   4.573   4.781
  356    HB2  HIS  44           HB2      HIS  45  12.962   3.998   6.609
  357    HB3  HIS  44           HB1      HIS  45  11.998   2.548   6.862
  358    HD1  HIS  44           HD1      HIS  45  14.332   4.159   4.432
  359    HD2  HIS  44           HD2      HIS  45  12.156   0.638   4.800
  360    HE1  HIS  44           HE1      HIS  45  15.210   2.630   2.638
  361    HE2  HIS  44           HE2      HIS  45  13.786   0.559   2.790
  362    H    SER  45           HN       SER  46   8.593   4.714   5.444
  363    HA   SER  45           HA       SER  46   7.613   1.956   5.239
  364    HB2  SER  45           HB2      SER  46   7.476   2.763   7.611
  365    HB3  SER  45           HB1      SER  46   6.426   4.065   7.064
  366    HG   SER  45           HG       SER  46   5.838   1.337   6.586
  367    H    ALA  46           HN       ALA  47   5.117   2.095   4.802
  368    HA   ALA  46           HA       ALA  47   4.461   4.334   3.005
  369    HB1  ALA  46           HB1      ALA  47   5.363   2.366   1.710
  370    HB2  ALA  46           HB2      ALA  47   3.746   2.889   1.260
  371    HB3  ALA  46           HB3      ALA  47   3.963   1.456   2.263
  372    H    TYR  47           HN       TYR  48   2.347   4.989   3.231
  373    HA   TYR  47           HA       TYR  48   0.613   3.267   4.857
  374    HB2  TYR  47           HB2      TYR  48   0.575   6.230   4.328
  375    HB3  TYR  47           HB1      TYR  48  -0.835   5.399   4.967
  376    HD1  TYR  47           HD1      TYR  48  -0.827   4.505   7.223
  377    HD2  TYR  47           HD2      TYR  48   2.567   6.547   5.672
  378    HE1  TYR  47           HE1      TYR  48   0.073   4.725   9.500
  379    HE2  TYR  47           HE2      TYR  48   3.477   6.771   7.945
  380    HH   TYR  47           HH       TYR  48   2.126   5.092  10.638
  381    H    VAL  48           HN       VAL  49  -0.485   1.938   3.634
  382    HA   VAL  48           HA       VAL  49  -1.486   2.886   1.036
  383    HB   VAL  48           HB       VAL  49  -1.182   0.049   2.015
  384   HG11  VAL  48          HG11      VAL  49  -1.993   1.181  -0.629
  385   HG12  VAL  48          HG12      VAL  49  -2.916   0.106   0.412
  386   HG13  VAL  48          HG13      VAL  49  -1.472  -0.484  -0.412
  387   HG21  VAL  48          HG21      VAL  49   0.965   1.236   1.710
  388   HG22  VAL  48          HG22      VAL  49   0.511   1.545   0.031
  389   HG23  VAL  48          HG23      VAL  49   0.747  -0.111   0.590
  390    H    LYS  49           HN       LYS  50  -3.512   3.542   1.093
  391    HA   LYS  49           HA       LYS  50  -5.347   2.538   3.096
  392    HB2  LYS  49           HB2      LYS  50  -5.763   4.519   0.845
  393    HB3  LYS  49           HB1      LYS  50  -6.936   4.154   2.105
  394    HG2  LYS  49           HG2      LYS  50  -5.384   4.990   3.793
  395    HG3  LYS  49           HG1      LYS  50  -4.211   5.356   2.528
  396    HD2  LYS  49           HD2      LYS  50  -6.028   6.807   1.492
  397    HD3  LYS  49           HD1      LYS  50  -6.887   6.625   3.021
  398    HE2  LYS  49           HE2      LYS  50  -5.132   7.659   4.244
  399    HE3  LYS  49           HE1      LYS  50  -4.049   7.610   2.855
  400    HZ1  LYS  49           HZ1      LYS  50  -6.544   9.215   3.006
  401    HZ2  LYS  49           HZ2      LYS  50  -5.418   9.213   1.732
  402    HZ3  LYS  49           HZ3      LYS  50  -4.981   9.819   3.251
  403    H    ILE  50           HN       ILE  51  -6.624   0.884   2.826
  404    HA   ILE  50           HA       ILE  51  -6.874  -0.257   0.131
  405    HB   ILE  50           HB       ILE  51  -7.085  -2.377   1.090
  406   HG12  ILE  50          HG12      ILE  51  -7.627  -1.073   3.763
  407   HG13  ILE  50          HG11      ILE  51  -8.865  -1.733   2.707
  408   HG21  ILE  50          HG21      ILE  51  -4.893  -2.183   1.522
  409   HG22  ILE  50          HG22      ILE  51  -5.396  -2.131   3.207
  410   HG23  ILE  50          HG23      ILE  51  -5.085  -0.633   2.331
  411   HD11  ILE  50          HD11      ILE  51  -7.937  -3.949   2.961
  412   HD12  ILE  50          HD12      ILE  51  -8.303  -3.247   4.538
  413   HD13  ILE  50          HD13      ILE  51  -6.635  -3.311   3.966
  414    H    ASP  51           HN       ASP  52  -8.854  -1.078  -0.566
  415    HA   ASP  51           HA       ASP  52 -11.250   0.055   0.625
  416    HB2  ASP  51           HB2      ASP  52 -11.034  -0.036  -1.831
  417    HB3  ASP  51           HB1      ASP  52 -10.883  -1.783  -1.756
  418    H    SER  52           HN       SER  53 -11.708  -0.944   2.510
  419    HA   SER  52           HA       SER  53 -11.007  -3.636   3.044
  420    HB2  SER  52           HB2      SER  53 -12.308  -3.296   5.158
  421    HB3  SER  52           HB1      SER  53 -11.081  -2.068   4.858
  422    HG   SER  52           HG       SER  53 -12.654  -0.627   4.281
  423    H    LYS  53           HN       LYS  54 -13.394  -2.599   1.085
  424    HA   LYS  53           HA       LYS  54 -15.375  -4.575   1.856
  425    HB2  LYS  53           HB2      LYS  54 -15.270  -2.660  -0.475
  426    HB3  LYS  53           HB1      LYS  54 -16.611  -3.738  -0.129
  427    HG2  LYS  53           HG2      LYS  54 -15.643  -1.502   1.645
  428    HG3  LYS  53           HG1      LYS  54 -17.074  -1.466   0.617
  429    HD2  LYS  53           HD2      LYS  54 -18.070  -2.051   2.569
  430    HD3  LYS  53           HD1      LYS  54 -17.639  -3.666   2.011
  431    HE2  LYS  53           HE2      LYS  54 -15.510  -3.427   3.343
  432    HE3  LYS  53           HE1      LYS  54 -16.194  -1.957   4.029
  433    HZ1  LYS  53           HZ1      LYS  54 -18.075  -3.294   4.824
  434    HZ2  LYS  53           HZ2      LYS  54 -16.602  -3.790   5.489
  435    HZ3  LYS  53           HZ3      LYS  54 -17.316  -4.694   4.251
  436    H    VAL  54           HN       VAL  55 -12.953  -4.042  -0.663
  437    HA   VAL  54           HA       VAL  55 -13.729  -6.522  -1.982
  438    HB   VAL  54           HB       VAL  55 -13.169  -4.471  -3.309
  439   HG11  VAL  54          HG11      VAL  55 -11.300  -3.681  -1.950
  440   HG12  VAL  54          HG12      VAL  55 -10.851  -3.859  -3.646
  441   HG13  VAL  54          HG13      VAL  55 -10.341  -5.067  -2.466
  442   HG21  VAL  54          HG21      VAL  55 -13.139  -6.683  -4.330
  443   HG22  VAL  54          HG22      VAL  55 -11.456  -6.892  -3.845
  444   HG23  VAL  54          HG23      VAL  55 -11.888  -5.650  -5.020
  445    H    THR  55           HN       THR  56 -11.258  -5.338   0.172
  446    HA   THR  55           HA       THR  56 -10.018  -7.986   0.174
  447    HB   THR  55           HB       THR  56  -8.770  -6.478  -1.450
  448    HG1  THR  55           HG1      THR  56  -7.230  -7.821  -0.940
  449   HG21  THR  55          HG21      THR  56  -8.990  -4.420   0.000
  450   HG22  THR  55          HG22      THR  56  -7.368  -4.736  -0.612
  451   HG23  THR  55          HG23      THR  56  -7.772  -5.130   1.058
  452    H    ASN  56           HN       ASN  57  -8.210  -7.974   1.929
  453    HA   ASN  56           HA       ASN  57  -8.958  -6.213   4.158
  454    HB2  ASN  56           HB2      ASN  57  -9.217  -7.910   5.647
  455    HB3  ASN  56           HB1      ASN  57  -9.515  -8.884   4.213
  456   HD21  ASN  56          HD21      ASN  57  -8.035 -10.413   3.599
  457   HD22  ASN  56          HD22      ASN  57  -6.675 -10.848   4.581
  458    H    ARG  57           HN       ARG  58  -7.165  -6.036   5.761
  459    HA   ARG  57           HA       ARG  58  -4.991  -4.865   4.662
  460    HB2  ARG  57           HB2      ARG  58  -5.458  -4.470   6.942
  461    HB3  ARG  57           HB1      ARG  58  -5.325  -6.175   7.348
  462    HG2  ARG  57           HG2      ARG  58  -2.936  -6.116   6.983
  463    HG3  ARG  57           HG1      ARG  58  -3.032  -4.438   6.453
  464    HD2  ARG  57           HD2      ARG  58  -2.259  -4.630   8.772
  465    HD3  ARG  57           HD1      ARG  58  -3.789  -3.760   8.654
  466    HE   ARG  57           HE       ARG  58  -3.848  -6.622   9.268
  467   HH11  ARG  57          HH11      ARG  58  -4.217  -3.317  10.371
  468   HH12  ARG  57          HH12      ARG  58  -5.151  -3.758  11.766
  469   HH21  ARG  57          HH21      ARG  58  -5.075  -7.201  11.101
  470   HH22  ARG  57          HH22      ARG  58  -5.640  -5.965  12.180
  471    H    PHE  58           HN       PHE  59  -5.008  -8.253   5.865
  472    HA   PHE  58           HA       PHE  59  -2.208  -8.526   5.423
  473    HB2  PHE  58           HB2      PHE  59  -3.791  -9.882   6.995
  474    HB3  PHE  58           HB1      PHE  59  -4.070 -10.880   5.575
  475    HD1  PHE  58           HD1      PHE  59  -1.655 -11.406   4.321
  476    HD2  PHE  58           HD2      PHE  59  -2.301 -10.762   8.476
  477    HE1  PHE  58           HE1      PHE  59   0.376 -12.694   4.833
  478    HE2  PHE  58           HE2      PHE  59  -0.269 -12.044   8.994
  479    HZ   PHE  58           HZ       PHE  59   1.072 -13.013   7.172
  480    H    GLU  59           HN       GLU  60  -5.062  -9.548   3.560
  481    HA   GLU  59           HA       GLU  60  -3.695 -11.043   1.618
  482    HB2  GLU  59           HB2      GLU  60  -6.324  -9.581   1.567
  483    HB3  GLU  59           HB1      GLU  60  -5.734 -10.471   0.173
  484    HG2  GLU  59           HG2      GLU  60  -5.697 -12.520   1.468
  485    HG3  GLU  59           HG1      GLU  60  -6.216 -11.637   2.903
  486    H    VAL  60           HN       VAL  61  -4.799  -7.665   1.516
  487    HA   VAL  60           HA       VAL  61  -3.613  -7.151  -1.003
  488    HB   VAL  60           HB       VAL  61  -5.498  -5.842  -0.090
  489   HG11  VAL  60          HG11      VAL  61  -4.739  -5.700   2.232
  490   HG12  VAL  60          HG12      VAL  61  -5.149  -4.122   1.565
  491   HG13  VAL  60          HG13      VAL  61  -3.459  -4.592   1.736
  492   HG21  VAL  60          HG21      VAL  61  -3.025  -4.322  -0.846
  493   HG22  VAL  60          HG22      VAL  61  -4.624  -3.589  -0.736
  494   HG23  VAL  60          HG23      VAL  61  -4.322  -4.876  -1.904
  495    H    GLU  61           HN       GLU  62  -2.521  -6.752   2.323
  496    HA   GLU  61           HA       GLU  62  -0.152  -5.334   1.937
  497    HB2  GLU  61           HB2      GLU  62  -1.342  -6.158   4.102
  498    HB3  GLU  61           HB1      GLU  62  -0.382  -7.607   3.890
  499    HG2  GLU  61           HG2      GLU  62   0.806  -4.866   4.108
  500    HG3  GLU  61           HG1      GLU  62   0.512  -5.908   5.487
  501    H    GLN  62           HN       GLN  63  -0.713  -8.845   1.915
  502    HA   GLN  62           HA       GLN  63   1.888  -9.656   1.328
  503    HB2  GLN  62           HB2      GLN  63   0.117 -11.227   1.988
  504    HB3  GLN  62           HB1      GLN  63  -0.705 -10.948   0.459
  505    HG2  GLN  62           HG2      GLN  63   1.218 -11.869  -0.737
  506    HG3  GLN  62           HG1      GLN  63   2.019 -12.177   0.801
  507   HE21  GLN  62          HE21      GLN  63   1.291 -13.842   2.106
  508   HE22  GLN  62          HE22      GLN  63   0.231 -15.079   1.520
  509    H    ALA  63           HN       ALA  64  -0.745  -8.678  -0.823
  510    HA   ALA  63           HA       ALA  64   0.635  -9.172  -3.240
  511    HB1  ALA  63           HB1      ALA  64  -1.568  -7.188  -2.683
  512    HB2  ALA  63           HB2      ALA  64  -1.788  -8.880  -3.132
  513    HB3  ALA  63           HB3      ALA  64  -1.058  -7.753  -4.276
  514    H    ILE  64           HN       ILE  65   0.466  -6.365  -1.105
  515    HA   ILE  64           HA       ILE  65   1.855  -4.546  -2.728
  516    HB   ILE  64           HB       ILE  65   1.180  -4.695   0.151
  517   HG12  ILE  64          HG12      ILE  65   0.946  -2.092  -0.835
  518   HG13  ILE  64          HG11      ILE  65   0.538  -3.128  -2.193
  519   HG21  ILE  64          HG21      ILE  65   3.531  -4.150   0.338
  520   HG22  ILE  64          HG22      ILE  65   2.549  -2.734   0.717
  521   HG23  ILE  64          HG23      ILE  65   3.351  -2.858  -0.847
  522   HD11  ILE  64          HD11      ILE  65  -1.179  -4.205  -0.921
  523   HD12  ILE  64          HD12      ILE  65  -1.411  -2.456  -0.875
  524   HD13  ILE  64          HD13      ILE  65  -0.730  -3.292   0.521
  525    H    ARG  65           HN       ARG  66   3.108  -6.708  -0.153
  526    HA   ARG  65           HA       ARG  66   5.782  -5.873  -0.460
  527    HB2  ARG  65           HB2      ARG  66   6.359  -8.098   0.588
  528    HB3  ARG  65           HB1      ARG  66   5.344  -7.025   1.539
  529    HG2  ARG  65           HG2      ARG  66   4.177  -8.913   1.881
  530    HG3  ARG  65           HG1      ARG  66   3.480  -8.537   0.303
  531    HD2  ARG  65           HD2      ARG  66   4.204 -10.875   0.437
  532    HD3  ARG  65           HD1      ARG  66   5.111  -9.982  -0.782
  533    HE   ARG  65           HE       ARG  66   6.407 -10.042   1.781
  534   HH11  ARG  65          HH11      ARG  66   5.939 -11.821  -1.205
  535   HH12  ARG  65          HH12      ARG  66   7.427 -12.697  -1.064
  536   HH21  ARG  65          HH21      ARG  66   8.375 -11.186   1.959
  537   HH22  ARG  65          HH22      ARG  66   8.814 -12.330   0.731
  538    H    GLN  66           HN       GLN  67   3.927  -8.330  -2.091
  539    HA   GLN  66           HA       GLN  67   6.029  -9.570  -3.487
  540    HB2  GLN  66           HB2      GLN  67   3.129  -9.216  -4.176
  541    HB3  GLN  66           HB1      GLN  67   4.235 -10.230  -5.102
  542    HG2  GLN  66           HG2      GLN  67   4.678 -11.565  -3.090
  543    HG3  GLN  66           HG1      GLN  67   3.522 -10.583  -2.204
  544   HE21  GLN  66          HE21      GLN  67   3.020 -11.457  -5.534
  545   HE22  GLN  66          HE22      GLN  67   1.717 -12.560  -5.255
  546    H    ALA  67           HN       ALA  68   4.103  -6.708  -4.253
  547    HA   ALA  67           HA       ALA  68   5.006  -6.321  -6.878
  548    HB1  ALA  67           HB1      ALA  68   4.256  -4.273  -4.812
  549    HB2  ALA  67           HB2      ALA  68   3.151  -5.063  -5.934
  550    HB3  ALA  67           HB3      ALA  68   4.394  -3.966  -6.539
  551    H    LEU  68           HN       LEU  69   6.496  -5.802  -3.812
  552    HA   LEU  68           HA       LEU  69   8.788  -4.413  -4.944
  553    HB2  LEU  68           HB2      LEU  69   8.121  -5.314  -2.144
  554    HB3  LEU  68           HB1      LEU  69   9.561  -4.416  -2.578
  555    HG   LEU  68           HG       LEU  69   6.771  -3.391  -3.018
  556   HD11  LEU  68          HD11      LEU  69   7.200  -3.709  -0.643
  557   HD12  LEU  68          HD12      LEU  69   7.107  -1.999  -1.065
  558   HD13  LEU  68          HD13      LEU  69   8.676  -2.755  -0.786
  559   HD21  LEU  68          HD21      LEU  69   9.484  -2.247  -3.327
  560   HD22  LEU  68          HD22      LEU  69   8.092  -1.208  -3.068
  561   HD23  LEU  68          HD23      LEU  69   8.160  -2.263  -4.482
  562    H    GLU  69           HN       GLU  70   7.937  -7.486  -3.456
  563    HA   GLU  69           HA       GLU  70  10.589  -8.600  -3.850
  564    HB2  GLU  69           HB2      GLU  70   8.039  -9.682  -2.639
  565    HB3  GLU  69           HB1      GLU  70   9.504 -10.639  -2.808
  566    HG2  GLU  69           HG2      GLU  70   9.365  -8.049  -1.294
  567    HG3  GLU  69           HG1      GLU  70   9.136  -9.633  -0.556
  Start of MODEL   16
    1    H1   MET   0           HT1      MET   1  -4.702  17.365   2.118
    2    H2   MET   0           HT2      MET   1  -3.218  17.151   1.346
    3    H3   MET   0           HT3      MET   1  -3.400  16.695   2.962
    4    HA   MET   0           HA       MET   1  -3.413  14.771   1.527
    5    HB2  MET   0           HB2      MET   1  -6.129  15.407   2.705
    6    HB3  MET   0           HB1      MET   1  -5.570  13.803   2.253
    7    HG2  MET   0           HG2      MET   1  -3.752  14.013   3.916
    8    HG3  MET   0           HG1      MET   1  -4.433  15.563   4.411
    9    HE1  MET   0           HE1      MET   1  -6.516  11.483   4.937
   10    HE2  MET   0           HE2      MET   1  -4.925  11.716   4.209
   11    HE3  MET   0           HE3      MET   1  -6.372  12.263   3.363
   12    H    GLY   1           HN       GLY   2  -5.351  13.506   0.257
   13    HA2  GLY   1           HA2      GLY   2  -6.065  15.309  -1.975
   14    HA3  GLY   1           HA1      GLY   2  -5.578  13.634  -2.198
   15    H    LYS   2           HN       LYS   3  -7.043  12.008  -1.881
   16    HA   LYS   2           HA       LYS   3  -9.787  12.796  -1.175
   17    HB2  LYS   2           HB2      LYS   3  -9.618  12.608  -3.617
   18    HB3  LYS   2           HB1      LYS   3  -8.943  10.995  -3.458
   19    HG2  LYS   2           HG2      LYS   3 -11.027  10.178  -2.539
   20    HG3  LYS   2           HG1      LYS   3 -11.711  11.804  -2.595
   21    HD2  LYS   2           HD2      LYS   3 -11.464  11.825  -5.031
   22    HD3  LYS   2           HD1      LYS   3 -10.778  10.201  -4.976
   23    HE2  LYS   2           HE2      LYS   3 -12.863   9.337  -4.067
   24    HE3  LYS   2           HE1      LYS   3 -13.550  10.961  -4.064
   25    HZ1  LYS   2           HZ1      LYS   3 -12.717   9.407  -6.455
   26    HZ2  LYS   2           HZ2      LYS   3 -13.279  11.003  -6.488
   27    HZ3  LYS   2           HZ3      LYS   3 -14.305   9.757  -5.984
   28    H    GLU   3           HN       GLU   4 -10.544  11.594   0.463
   29    HA   GLU   3           HA       GLU   4  -9.410   8.906   0.829
   30    HB2  GLU   3           HB2      GLU   4  -8.427  10.532   2.430
   31    HB3  GLU   3           HB1      GLU   4 -10.040  10.862   3.045
   32    HG2  GLU   3           HG2      GLU   4 -10.259   8.602   3.829
   33    HG3  GLU   3           HG1      GLU   4  -8.716   8.163   3.095
   34    HA   PRO   4           HA       PRO   5 -13.916   8.179   0.711
   35    HB2  PRO   4           HB2      PRO   5 -12.929   5.458   0.140
   36    HB3  PRO   4           HB1      PRO   5 -14.068   6.448  -0.773
   37    HG2  PRO   4           HG2      PRO   5 -11.604   5.971  -1.689
   38    HG3  PRO   4           HG1      PRO   5 -12.399   7.537  -1.941
   39    HD2  PRO   4           HD2      PRO   5 -10.320   6.770   0.076
   40    HD3  PRO   4           HD1      PRO   5 -10.436   8.242  -0.914
   41    HA   PRO   5           HA       PRO   6 -13.957   6.538   4.831
   42    HB2  PRO   5           HB2      PRO   6 -16.562   6.029   5.115
   43    HB3  PRO   5           HB1      PRO   6 -15.959   7.686   4.961
   44    HG2  PRO   5           HG2      PRO   6 -17.097   5.894   2.849
   45    HG3  PRO   5           HG1      PRO   6 -17.529   7.575   3.213
   46    HD2  PRO   5           HD2      PRO   6 -15.839   6.930   1.215
   47    HD3  PRO   5           HD1      PRO   6 -15.634   8.407   2.177
   48    H    TYR   6           HN       TYR   7 -13.189   4.663   2.771
   49    HA   TYR   6           HA       TYR   7 -14.249   2.190   3.954
   50    HB2  TYR   6           HB2      TYR   7 -13.639   2.519   1.018
   51    HB3  TYR   6           HB1      TYR   7 -14.339   1.110   1.799
   52    HD1  TYR   6           HD1      TYR   7 -16.668   1.293   2.755
   53    HD2  TYR   6           HD2      TYR   7 -14.992   4.286   0.242
   54    HE1  TYR   6           HE1      TYR   7 -18.918   2.174   2.309
   55    HE2  TYR   6           HE2      TYR   7 -17.239   5.177  -0.209
   56    HH   TYR   6           HH       TYR   7 -19.981   4.241   1.606
   57    H    VAL   7           HN       VAL   8 -11.704   4.082   3.727
   58    HA   VAL   7           HA       VAL   8  -9.714   2.238   2.762
   59    HB   VAL   7           HB       VAL   8  -8.121   4.045   3.324
   60   HG11  VAL   7          HG11      VAL   8  -9.089   3.958   1.119
   61   HG12  VAL   7          HG12      VAL   8  -8.907   5.636   1.622
   62   HG13  VAL   7          HG13      VAL   8 -10.494   4.867   1.667
   63   HG21  VAL   7          HG21      VAL   8  -8.946   6.236   3.994
   64   HG22  VAL   7          HG22      VAL   8  -9.311   5.019   5.217
   65   HG23  VAL   7          HG23      VAL   8 -10.579   5.585   4.129
   66    H    SER   8           HN       SER   9  -8.384   1.008   3.943
   67    HA   SER   8           HA       SER   9  -8.014   1.729   6.782
   68    HB2  SER   8           HB2      SER   9  -7.549  -1.013   5.555
   69    HB3  SER   8           HB1      SER   9  -7.392  -0.577   7.252
   70    HG   SER   8           HG       SER   9  -9.742  -0.804   5.691
   71    H    SER   9           HN       SER  10  -6.065   2.581   7.196
   72    HA   SER   9           HA       SER  10  -4.091   2.588   5.075
   73    HB2  SER   9           HB2      SER  10  -2.889   4.168   6.666
   74    HB3  SER   9           HB1      SER  10  -4.462   4.709   6.082
   75    HG   SER   9           HG       SER  10  -4.252   3.268   8.496
   76    H    LEU  10           HN       LEU  11  -2.654   1.032   4.928
   77    HA   LEU  10           HA       LEU  11  -1.853  -0.468   7.311
   78    HB2  LEU  10           HB2      LEU  11  -0.855  -1.013   4.541
   79    HB3  LEU  10           HB1      LEU  11  -1.070  -2.138   5.862
   80    HG   LEU  10           HG       LEU  11  -3.155  -0.999   4.019
   81   HD11  LEU  10          HD11      LEU  11  -2.257  -3.790   4.688
   82   HD12  LEU  10          HD12      LEU  11  -1.995  -2.914   3.181
   83   HD13  LEU  10          HD13      LEU  11  -3.625  -3.395   3.650
   84   HD21  LEU  10          HD21      LEU  11  -3.654  -2.541   6.562
   85   HD22  LEU  10          HD22      LEU  11  -4.858  -2.174   5.333
   86   HD23  LEU  10          HD23      LEU  11  -4.104  -0.869   6.247
   87    H    ARG  11           HN       ARG  12   0.273  -0.512   8.056
   88    HA   ARG  11           HA       ARG  12   2.102   1.421   6.799
   89    HB2  ARG  11           HB2      ARG  12   1.673   1.813   9.186
   90    HB3  ARG  11           HB1      ARG  12   2.213   0.180   9.557
   91    HG2  ARG  11           HG2      ARG  12   4.447   0.776   8.640
   92    HG3  ARG  11           HG1      ARG  12   3.878   2.436   8.465
   93    HD2  ARG  11           HD2      ARG  12   3.933   0.906  11.053
   94    HD3  ARG  11           HD1      ARG  12   5.182   2.035  10.539
   95    HE   ARG  11           HE       ARG  12   3.103   3.632  10.423
   96   HH11  ARG  11          HH11      ARG  12   3.847   1.262  12.909
   97   HH12  ARG  11          HH12      ARG  12   3.046   2.155  14.158
   98   HH21  ARG  11          HH21      ARG  12   2.065   4.790  12.066
   99   HH22  ARG  11          HH22      ARG  12   2.021   4.150  13.680
  100    H    ILE  12           HN       ILE  13   3.223   0.393   5.277
  101    HA   ILE  12           HA       ILE  13   4.108  -2.356   5.686
  102    HB   ILE  12           HB       ILE  13   4.966  -0.878   3.267
  103   HG12  ILE  12          HG12      ILE  13   2.685  -0.017   3.496
  104   HG13  ILE  12          HG11      ILE  13   2.808  -1.119   2.135
  105   HG21  ILE  12          HG21      ILE  13   3.784  -3.599   3.756
  106   HG22  ILE  12          HG22      ILE  13   5.490  -3.209   3.540
  107   HG23  ILE  12          HG23      ILE  13   4.363  -3.011   2.197
  108   HD11  ILE  12          HD11      ILE  13   1.806  -2.899   3.555
  109   HD12  ILE  12          HD12      ILE  13   0.747  -1.519   3.286
  110   HD13  ILE  12          HD13      ILE  13   1.586  -1.698   4.826
  111    H    GLU  13           HN       GLU  14   6.150  -2.861   6.285
  112    HA   GLU  13           HA       GLU  14   8.128  -0.798   6.607
  113    HB2  GLU  13           HB2      GLU  14   8.124  -3.773   7.024
  114    HB3  GLU  13           HB1      GLU  14   9.642  -2.890   7.011
  115    HG2  GLU  13           HG2      GLU  14   8.964  -3.147   9.267
  116    HG3  GLU  13           HG1      GLU  14   8.747  -1.455   8.834
  117    H    ILE  14           HN       ILE  15   9.160   0.038   4.930
  118    HA   ILE  14           HA       ILE  15   9.260  -1.256   2.385
  119    HB   ILE  14           HB       ILE  15  10.686   1.219   3.376
  120   HG12  ILE  14          HG12      ILE  15   8.185   0.927   1.712
  121   HG13  ILE  14          HG11      ILE  15   8.230   1.384   3.413
  122   HG21  ILE  14          HG21      ILE  15  11.620  -0.028   1.320
  123   HG22  ILE  14          HG22      ILE  15  11.329   1.710   1.201
  124   HG23  ILE  14          HG23      ILE  15  10.177   0.573   0.500
  125   HD11  ILE  14          HD11      ILE  15   8.002   3.235   1.693
  126   HD12  ILE  14          HD12      ILE  15   9.693   2.949   1.329
  127   HD13  ILE  14          HD13      ILE  15   9.210   3.446   2.949
  128    HA   PRO  15           HA       PRO  16  13.109  -3.499   2.840
  129    HB2  PRO  15           HB2      PRO  16  13.480  -3.037  -0.031
  130    HB3  PRO  15           HB1      PRO  16  13.285  -4.557   0.831
  131    HG2  PRO  15           HG2      PRO  16  11.380  -3.490  -0.793
  132    HG3  PRO  15           HG1      PRO  16  11.015  -4.562   0.561
  133    HD2  PRO  15           HD2      PRO  16  10.678  -1.630   0.324
  134    HD3  PRO  15           HD1      PRO  16   9.766  -2.799   1.290
  135    H    ALA  16           HN       ALA  17  15.341  -3.015   2.782
  136    HA   ALA  16           HA       ALA  17  15.947  -0.214   2.853
  137    HB1  ALA  16           HB1      ALA  17  17.847  -2.541   3.030
  138    HB2  ALA  16           HB2      ALA  17  16.971  -1.854   4.395
  139    HB3  ALA  16           HB3      ALA  17  18.161  -0.882   3.529
  140    H    ASP  17           HN       ASP  18  16.335  -2.791   0.553
  141    HA   ASP  17           HA       ASP  18  18.134  -1.369  -1.173
  142    HB2  ASP  17           HB2      ASP  18  18.077  -3.803  -1.218
  143    HB3  ASP  17           HB1      ASP  18  16.376  -3.781  -1.666
  144    H    ILE  18           HN       ILE  19  14.682  -1.773  -0.882
  145    HA   ILE  18           HA       ILE  19  14.064  -0.488  -3.368
  146    HB   ILE  18           HB       ILE  19  12.444  -1.530  -1.075
  147   HG12  ILE  18          HG12      ILE  19  11.368  -2.861  -2.795
  148   HG13  ILE  18          HG11      ILE  19  12.211  -1.980  -4.056
  149   HG21  ILE  18          HG21      ILE  19  11.441   0.640  -1.569
  150   HG22  ILE  18          HG22      ILE  19  10.384  -0.685  -2.053
  151   HG23  ILE  18          HG23      ILE  19  11.308   0.193  -3.269
  152   HD11  ILE  18          HD11      ILE  19  13.597  -3.646  -1.986
  153   HD12  ILE  18          HD12      ILE  19  14.288  -2.954  -3.451
  154   HD13  ILE  18          HD13      ILE  19  13.099  -4.252  -3.564
  155    H    ALA  19           HN       ALA  20  13.680   1.629  -3.719
  156    HA   ALA  19           HA       ALA  20  14.260   3.487  -1.589
  157    HB1  ALA  19           HB1      ALA  20  13.932   5.205  -3.391
  158    HB2  ALA  19           HB2      ALA  20  13.682   3.863  -4.513
  159    HB3  ALA  19           HB3      ALA  20  15.225   4.037  -3.676
  160    H    ALA  20           HN       ALA  21  12.897   4.744  -0.547
  161    HA   ALA  20           HA       ALA  21  10.048   4.319  -0.823
  162    HB1  ALA  20           HB1      ALA  21   9.929   5.781   1.159
  163    HB2  ALA  20           HB2      ALA  21  11.672   6.027   1.057
  164    HB3  ALA  20           HB3      ALA  21  11.025   4.422   1.387
  165    H    ASN  21           HN       ASN  22   9.413   5.304  -2.740
  166    HA   ASN  21           HA       ASN  22   9.203   8.164  -2.706
  167    HB2  ASN  21           HB2      ASN  22  10.456   8.673  -4.676
  168    HB3  ASN  21           HB1      ASN  22  11.516   7.739  -3.637
  169   HD21  ASN  21          HD21      ASN  22  12.053   5.624  -4.227
  170   HD22  ASN  21          HD22      ASN  22  11.846   5.055  -5.849
  171    H    GLU  22           HN       GLU  23   8.422   8.683  -5.281
  172    HA   GLU  22           HA       GLU  23   5.791   7.747  -5.284
  173    HB2  GLU  22           HB2      GLU  23   6.543   9.821  -6.405
  174    HB3  GLU  22           HB1      GLU  23   7.348   8.854  -7.631
  175    HG2  GLU  22           HG2      GLU  23   5.171   7.900  -8.271
  176    HG3  GLU  22           HG1      GLU  23   4.391   8.948  -7.089
  177    H    ALA  23           HN       ALA  24   8.649   6.422  -6.853
  178    HA   ALA  23           HA       ALA  24   7.396   4.672  -8.649
  179    HB1  ALA  23           HB1      ALA  24   9.799   5.142  -8.679
  180    HB2  ALA  23           HB2      ALA  24   9.470   3.411  -8.639
  181    HB3  ALA  23           HB3      ALA  24   9.989   4.244  -7.174
  182    H    LEU  24           HN       LEU  25   8.202   4.287  -5.230
  183    HA   LEU  24           HA       LEU  25   7.332   1.608  -4.969
  184    HB2  LEU  24           HB2      LEU  25   8.726   2.756  -3.281
  185    HB3  LEU  24           HB1      LEU  25   7.389   3.818  -2.905
  186    HG   LEU  24           HG       LEU  25   6.885   0.907  -2.614
  187   HD11  LEU  24          HD11      LEU  25   8.490   2.458  -0.588
  188   HD12  LEU  24          HD12      LEU  25   9.162   1.242  -1.676
  189   HD13  LEU  24          HD13      LEU  25   7.958   0.780  -0.473
  190   HD21  LEU  24          HD21      LEU  25   6.203   3.345  -0.977
  191   HD22  LEU  24          HD22      LEU  25   5.647   1.705  -0.652
  192   HD23  LEU  24          HD23      LEU  25   5.146   2.530  -2.128
  193    H    LYS  25           HN       LYS  26   5.772   4.723  -4.641
  194    HA   LYS  25           HA       LYS  26   3.269   3.901  -3.731
  195    HB2  LYS  25           HB2      LYS  26   3.923   6.227  -3.726
  196    HB3  LYS  25           HB1      LYS  26   4.060   6.237  -5.474
  197    HG2  LYS  25           HG2      LYS  26   1.600   5.717  -5.550
  198    HG3  LYS  25           HG1      LYS  26   1.568   6.039  -3.818
  199    HD2  LYS  25           HD2      LYS  26   2.493   8.288  -4.258
  200    HD3  LYS  25           HD1      LYS  26   2.398   7.954  -5.988
  201    HE2  LYS  25           HE2      LYS  26  -0.011   7.655  -5.821
  202    HE3  LYS  25           HE1      LYS  26   0.060   7.938  -4.086
  203    HZ1  LYS  25           HZ1      LYS  26   0.832  10.180  -4.504
  204    HZ2  LYS  25           HZ2      LYS  26  -0.633   9.918  -5.308
  205    HZ3  LYS  25           HZ3      LYS  26   0.820   9.914  -6.174
  206    H    VAL  26           HN       VAL  27   4.384   4.468  -7.075
  207    HA   VAL  26           HA       VAL  27   1.875   3.930  -8.232
  208    HB   VAL  26           HB       VAL  27   2.987   3.864 -10.387
  209   HG11  VAL  26          HG11      VAL  27   4.066   5.994  -8.555
  210   HG12  VAL  26          HG12      VAL  27   2.529   6.029  -9.417
  211   HG13  VAL  26          HG13      VAL  27   4.046   6.086 -10.315
  212   HG21  VAL  26          HG21      VAL  27   4.951   2.579  -9.880
  213   HG22  VAL  26          HG22      VAL  27   5.550   3.843  -8.807
  214   HG23  VAL  26          HG23      VAL  27   5.440   4.137 -10.543
  215    H    ARG  27           HN       ARG  28   4.601   1.766  -7.528
  216    HA   ARG  27           HA       ARG  28   3.490  -0.407  -9.014
  217    HB2  ARG  27           HB2      ARG  28   5.083  -1.849  -7.778
  218    HB3  ARG  27           HB1      ARG  28   5.846  -0.466  -8.545
  219    HG2  ARG  27           HG2      ARG  28   6.161   0.629  -6.494
  220    HG3  ARG  27           HG1      ARG  28   5.054  -0.456  -5.654
  221    HD2  ARG  27           HD2      ARG  28   7.492  -0.862  -5.223
  222    HD3  ARG  27           HD1      ARG  28   6.585  -2.264  -5.785
  223    HE   ARG  27           HE       ARG  28   7.651  -1.110  -8.050
  224   HH11  ARG  27          HH11      ARG  28   8.911  -2.427  -5.067
  225   HH12  ARG  27          HH12      ARG  28  10.398  -2.962  -5.776
  226   HH21  ARG  27          HH21      ARG  28   9.612  -1.821  -8.993
  227   HH22  ARG  27          HH22      ARG  28  10.794  -2.624  -8.010
  228    H    LEU  28           HN       LEU  29   3.251   0.619  -5.643
  229    HA   LEU  28           HA       LEU  29   1.691  -1.629  -4.852
  230    HB2  LEU  28           HB2      LEU  29   1.975   1.073  -3.543
  231    HB3  LEU  28           HB1      LEU  29   1.275  -0.354  -2.804
  232    HG   LEU  28           HG       LEU  29   4.149   0.126  -3.532
  233   HD11  LEU  28          HD11      LEU  29   3.534   1.022  -1.416
  234   HD12  LEU  28          HD12      LEU  29   4.484  -0.439  -1.146
  235   HD13  LEU  28          HD13      LEU  29   2.731  -0.479  -0.955
  236   HD21  LEU  28          HD21      LEU  29   2.745  -2.432  -2.976
  237   HD22  LEU  28          HD22      LEU  29   4.440  -2.228  -2.560
  238   HD23  LEU  28          HD23      LEU  29   3.913  -2.062  -4.235
  239    H    LEU  29           HN       LEU  30   0.992   1.525  -6.200
  240    HA   LEU  29           HA       LEU  30  -1.792   1.517  -5.761
  241    HB2  LEU  29           HB2      LEU  30   0.006   2.868  -7.727
  242    HB3  LEU  29           HB1      LEU  30  -1.732   2.982  -7.907
  243    HG   LEU  29           HG       LEU  30  -0.180   3.852  -5.470
  244   HD11  LEU  29          HD11      LEU  30   0.348   5.427  -7.082
  245   HD12  LEU  29          HD12      LEU  30  -1.067   6.121  -6.289
  246   HD13  LEU  29          HD13      LEU  30  -1.236   5.319  -7.848
  247   HD21  LEU  29          HD21      LEU  30  -2.117   3.918  -4.413
  248   HD22  LEU  29          HD22      LEU  30  -2.928   3.243  -5.823
  249   HD23  LEU  29          HD23      LEU  30  -2.769   4.990  -5.646
  250    H    GLU  30           HN       GLU  31   0.063  -0.594  -7.570
  251    HA   GLU  30           HA       GLU  31  -2.070  -1.215  -9.467
  252    HB2  GLU  30           HB2      GLU  31   0.694  -2.386  -9.135
  253    HB3  GLU  30           HB1      GLU  31  -0.439  -2.803 -10.412
  254    HG2  GLU  30           HG2      GLU  31   0.556  -0.010  -9.977
  255    HG3  GLU  30           HG1      GLU  31   1.384  -1.174 -10.999
  256    H    THR  31           HN       THR  32  -1.728  -1.825  -6.342
  257    HA   THR  31           HA       THR  32  -1.967  -4.725  -6.412
  258    HB   THR  31           HB       THR  32  -2.061  -2.832  -4.051
  259    HG1  THR  31           HG1      THR  32   0.088  -4.271  -5.252
  260   HG21  THR  31          HG21      THR  32  -2.843  -4.751  -3.099
  261   HG22  THR  31          HG22      THR  32  -1.121  -5.118  -3.038
  262   HG23  THR  31          HG23      THR  32  -2.120  -5.784  -4.329
  263    H    GLU  32           HN       GLU  33  -3.830  -5.860  -5.803
  264    HA   GLU  32           HA       GLU  33  -6.262  -4.694  -6.615
  265    HB2  GLU  32           HB2      GLU  33  -5.836  -7.081  -6.851
  266    HB3  GLU  32           HB1      GLU  33  -5.755  -7.259  -5.104
  267    HG2  GLU  32           HG2      GLU  33  -8.096  -6.639  -4.914
  268    HG3  GLU  32           HG1      GLU  33  -8.186  -6.406  -6.659
  269    H    GLY  33           HN       GLY  34  -7.386  -3.237  -5.525
  270    HA2  GLY  33           HA2      GLY  34  -8.899  -2.729  -3.771
  271    HA3  GLY  33           HA1      GLY  34  -7.967  -3.767  -2.704
  272    H    VAL  34           HN       VAL  35  -6.282  -1.485  -4.698
  273    HA   VAL  34           HA       VAL  35  -5.466  -0.035  -2.307
  274    HB   VAL  34           HB       VAL  35  -3.827   1.080  -3.777
  275   HG11  VAL  34          HG11      VAL  35  -3.122  -0.912  -2.692
  276   HG12  VAL  34          HG12      VAL  35  -2.508  -0.946  -4.340
  277   HG13  VAL  34          HG13      VAL  35  -3.914  -1.917  -3.900
  278   HG21  VAL  34          HG21      VAL  35  -3.539   0.333  -6.086
  279   HG22  VAL  34          HG22      VAL  35  -5.110   1.099  -5.845
  280   HG23  VAL  34          HG23      VAL  35  -4.991  -0.657  -5.945
  281    H    LYS  35           HN       LYS  36  -6.119   1.949  -1.779
  282    HA   LYS  35           HA       LYS  36  -7.757   3.448  -3.707
  283    HB2  LYS  35           HB2      LYS  36  -7.547   3.582  -0.706
  284    HB3  LYS  35           HB1      LYS  36  -8.379   4.803  -1.647
  285    HG2  LYS  35           HG2      LYS  36  -9.098   1.890  -1.733
  286    HG3  LYS  35           HG1      LYS  36  -9.845   3.042  -0.632
  287    HD2  LYS  35           HD2      LYS  36 -10.473   4.400  -2.613
  288    HD3  LYS  35           HD1      LYS  36  -9.865   3.103  -3.630
  289    HE2  LYS  35           HE2      LYS  36 -11.483   1.565  -2.621
  290    HE3  LYS  35           HE1      LYS  36 -12.091   2.869  -1.609
  291    HZ1  LYS  35           HZ1      LYS  36 -12.191   2.785  -4.573
  292    HZ2  LYS  35           HZ2      LYS  36 -12.783   4.038  -3.606
  293    HZ3  LYS  35           HZ3      LYS  36 -13.494   2.505  -3.533
  294    H    GLU  36           HN       GLU  37  -4.930   3.589  -1.650
  295    HA   GLU  36           HA       GLU  37  -3.752   5.734  -3.080
  296    HB2  GLU  36           HB2      GLU  37  -5.359   7.090  -1.908
  297    HB3  GLU  36           HB1      GLU  37  -4.961   6.334  -0.376
  298    HG2  GLU  36           HG2      GLU  37  -2.778   7.351  -0.409
  299    HG3  GLU  36           HG1      GLU  37  -3.096   8.049  -1.999
  300    H    VAL  37           HN       VAL  38  -1.599   5.886  -2.637
  301    HA   VAL  37           HA       VAL  38  -0.569   4.287  -0.388
  302    HB   VAL  37           HB       VAL  38   0.669   4.494  -3.142
  303   HG11  VAL  37          HG11      VAL  38   2.339   4.441  -1.356
  304   HG12  VAL  37          HG12      VAL  38   2.352   2.946  -2.289
  305   HG13  VAL  37          HG13      VAL  38   1.595   2.986  -0.699
  306   HG21  VAL  37          HG21      VAL  38  -0.293   1.996  -1.793
  307   HG22  VAL  37          HG22      VAL  38   0.094   2.248  -3.494
  308   HG23  VAL  37          HG23      VAL  38  -1.359   2.970  -2.800
  309    H    LEU  38           HN       LEU  39   0.674   5.366   0.953
  310    HA   LEU  38           HA       LEU  39   1.816   7.942   0.081
  311    HB2  LEU  38           HB2      LEU  39  -0.089   8.008   1.720
  312    HB3  LEU  38           HB1      LEU  39   0.923   7.158   2.853
  313    HG   LEU  38           HG       LEU  39   1.884   9.755   1.734
  314   HD11  LEU  38          HD11      LEU  39  -0.527   9.942   2.492
  315   HD12  LEU  38          HD12      LEU  39   0.630  11.018   3.274
  316   HD13  LEU  38          HD13      LEU  39   0.059   9.576   4.114
  317   HD21  LEU  38          HD21      LEU  39   3.162   8.148   3.252
  318   HD22  LEU  38          HD22      LEU  39   2.072   8.686   4.529
  319   HD23  LEU  38          HD23      LEU  39   3.121   9.848   3.712
  320    H    ILE  39           HN       ILE  40   3.988   8.143   0.300
  321    HA   ILE  39           HA       ILE  40   5.427   5.983   1.638
  322    HB   ILE  39           HB       ILE  40   6.293   8.168  -0.231
  323   HG12  ILE  39          HG12      ILE  40   7.323   6.309  -1.454
  324   HG13  ILE  39          HG11      ILE  40   6.827   5.188  -0.194
  325   HG21  ILE  39          HG21      ILE  40   7.955   6.754   1.806
  326   HG22  ILE  39          HG22      ILE  40   8.010   8.441   1.276
  327   HG23  ILE  39          HG23      ILE  40   8.662   7.171   0.239
  328   HD11  ILE  39          HD11      ILE  40   4.589   5.324  -0.811
  329   HD12  ILE  39          HD12      ILE  40   5.468   5.257  -2.338
  330   HD13  ILE  39          HD13      ILE  40   4.837   6.795  -1.747
  331    H    ALA  40           HN       ALA  41   6.008   6.176   3.659
  332    HA   ALA  40           HA       ALA  41   6.354   8.847   4.836
  333    HB1  ALA  40           HB1      ALA  41   6.037   6.200   6.237
  334    HB2  ALA  40           HB2      ALA  41   4.708   7.314   5.908
  335    HB3  ALA  40           HB3      ALA  41   6.022   7.799   6.982
  336    H    GLU  41           HN       GLU  42   8.477   9.086   3.914
  337    HA   GLU  41           HA       GLU  42  10.520   7.156   4.295
  338    HB2  GLU  41           HB2      GLU  42  10.264   9.702   3.024
  339    HB3  GLU  41           HB1      GLU  42  11.702   9.719   4.038
  340    HG2  GLU  41           HG2      GLU  42  11.069   7.658   1.942
  341    HG3  GLU  41           HG1      GLU  42  12.171   9.017   1.740
  342    H    GLU  42           HN       GLU  43   9.177   9.609   6.297
  343    HA   GLU  42           HA       GLU  43  11.217   9.951   8.184
  344    HB2  GLU  42           HB2      GLU  43   8.231   9.820   8.659
  345    HB3  GLU  42           HB1      GLU  43   9.415  10.486   9.772
  346    HG2  GLU  42           HG2      GLU  43   9.952  12.238   8.215
  347    HG3  GLU  42           HG1      GLU  43   8.851  11.553   7.021
  348    H    GLU  43           HN       GLU  44   9.044   7.315   7.569
  349    HA   GLU  43           HA       GLU  44  10.070   5.872   9.926
  350    HB2  GLU  43           HB2      GLU  44   7.461   5.475   8.448
  351    HB3  GLU  43           HB1      GLU  44   7.988   4.563   9.850
  352    HG2  GLU  43           HG2      GLU  44   7.968   6.641  11.169
  353    HG3  GLU  43           HG1      GLU  44   7.351   7.500   9.760
  354    H    HIS  44           HN       HIS  45  10.584   6.146   6.770
  355    HA   HIS  44           HA       HIS  45  10.954   4.856   4.931
  356    HB2  HIS  44           HB2      HIS  45  12.902   4.321   6.498
  357    HB3  HIS  44           HB1      HIS  45  12.060   2.824   6.875
  358    HD1  HIS  44           HD1      HIS  45  13.653   4.616   3.935
  359    HD2  HIS  44           HD2      HIS  45  12.409   0.807   5.043
  360    HE1  HIS  44           HE1      HIS  45  14.563   3.058   2.174
  361    HE2  HIS  44           HE2      HIS  45  13.664   0.788   2.783
  362    H    SER  45           HN       SER  46   8.391   4.689   5.810
  363    HA   SER  45           HA       SER  46   7.689   1.881   5.312
  364    HB2  SER  45           HB2      SER  46   6.367   3.732   7.312
  365    HB3  SER  45           HB1      SER  46   5.850   2.087   6.938
  366    HG   SER  45           HG       SER  46   8.512   2.473   7.699
  367    H    ALA  46           HN       ALA  47   5.421   1.653   4.543
  368    HA   ALA  46           HA       ALA  47   4.593   4.007   2.962
  369    HB1  ALA  46           HB1      ALA  47   5.440   2.193   1.556
  370    HB2  ALA  46           HB2      ALA  47   3.723   2.467   1.289
  371    HB3  ALA  46           HB3      ALA  47   4.260   1.094   2.257
  372    H    TYR  47           HN       TYR  48   2.580   4.729   3.320
  373    HA   TYR  47           HA       TYR  48   0.785   3.039   4.888
  374    HB2  TYR  47           HB2      TYR  48   0.839   6.011   4.363
  375    HB3  TYR  47           HB1      TYR  48  -0.597   5.215   5.000
  376    HD1  TYR  47           HD2      TYR  48   3.083   5.107   5.699
  377    HD2  TYR  47           HD1      TYR  48  -0.856   5.418   7.278
  378    HE1  TYR  47           HE2      TYR  48   4.008   5.226   7.971
  379    HE2  TYR  47           HE1      TYR  48   0.063   5.536   9.556
  380    HH   TYR  47           HH       TYR  48   3.444   5.964  10.150
  381    H    VAL  48           HN       VAL  49  -0.266   1.727   3.647
  382    HA   VAL  48           HA       VAL  49  -1.281   2.674   1.063
  383    HB   VAL  48           HB       VAL  49  -1.054  -0.156   2.084
  384   HG11  VAL  48          HG11      VAL  49  -1.851   0.965  -0.569
  385   HG12  VAL  48          HG12      VAL  49  -2.779  -0.095   0.484
  386   HG13  VAL  48          HG13      VAL  49  -1.350  -0.706  -0.349
  387   HG21  VAL  48          HG21      VAL  49   1.130   0.953   1.772
  388   HG22  VAL  48          HG22      VAL  49   0.692   1.263   0.088
  389   HG23  VAL  48          HG23      VAL  49   0.871  -0.396   0.659
  390    H    LYS  49           HN       LYS  50  -3.277   3.371   1.113
  391    HA   LYS  49           HA       LYS  50  -5.125   2.387   3.125
  392    HB2  LYS  49           HB2      LYS  50  -5.442   4.514   0.999
  393    HB3  LYS  49           HB1      LYS  50  -6.639   4.129   2.227
  394    HG2  LYS  49           HG2      LYS  50  -5.061   4.765   3.974
  395    HG3  LYS  49           HG1      LYS  50  -3.857   5.150   2.743
  396    HD2  LYS  49           HD2      LYS  50  -5.510   6.799   1.805
  397    HD3  LYS  49           HD1      LYS  50  -6.485   6.522   3.250
  398    HE2  LYS  49           HE2      LYS  50  -4.706   7.285   4.675
  399    HE3  LYS  49           HE1      LYS  50  -3.606   7.411   3.304
  400    HZ1  LYS  49           HZ1      LYS  50  -5.015   9.148   2.388
  401    HZ2  LYS  49           HZ2      LYS  50  -4.452   9.563   3.930
  402    HZ3  LYS  49           HZ3      LYS  50  -6.053   9.041   3.731
  403    H    ILE  50           HN       ILE  51  -6.488   0.829   2.778
  404    HA   ILE  50           HA       ILE  51  -6.651  -0.254   0.055
  405    HB   ILE  50           HB       ILE  51  -7.020  -2.387   0.993
  406   HG12  ILE  50          HG12      ILE  51  -7.426  -1.088   3.691
  407   HG13  ILE  50          HG11      ILE  51  -8.737  -1.608   2.641
  408   HG21  ILE  50          HG21      ILE  51  -4.807  -2.275   1.376
  409   HG22  ILE  50          HG22      ILE  51  -5.288  -2.271   3.067
  410   HG23  ILE  50          HG23      ILE  51  -4.925  -0.752   2.248
  411   HD11  ILE  50          HD11      ILE  51  -7.989  -3.904   2.812
  412   HD12  ILE  50          HD12      ILE  51  -8.287  -3.219   4.411
  413   HD13  ILE  50          HD13      ILE  51  -6.634  -3.402   3.824
  414    H    ASP  51           HN       ASP  52  -8.609  -1.010  -0.750
  415    HA   ASP  51           HA       ASP  52 -11.015   0.231   0.254
  416    HB2  ASP  51           HB2      ASP  52 -10.660  -0.032  -2.175
  417    HB3  ASP  51           HB1      ASP  52 -10.599  -1.775  -1.978
  418    H    SER  52           HN       SER  53 -11.624  -0.603   2.159
  419    HA   SER  52           HA       SER  53 -11.091  -3.276   2.948
  420    HB2  SER  52           HB2      SER  53 -13.054  -1.376   4.240
  421    HB3  SER  52           HB1      SER  53 -12.170  -2.699   5.002
  422    HG   SER  52           HG       SER  53 -11.247  -0.179   4.159
  423    H    LYS  53           HN       LYS  54 -13.257  -2.259   0.769
  424    HA   LYS  53           HA       LYS  54 -15.464  -3.980   1.521
  425    HB2  LYS  53           HB2      LYS  54 -14.977  -2.309  -0.950
  426    HB3  LYS  53           HB1      LYS  54 -16.457  -3.192  -0.611
  427    HG2  LYS  53           HG2      LYS  54 -15.365  -1.020   1.159
  428    HG3  LYS  53           HG1      LYS  54 -16.546  -0.746  -0.122
  429    HD2  LYS  53           HD2      LYS  54 -16.956  -2.666   2.166
  430    HD3  LYS  53           HD1      LYS  54 -17.524  -0.998   2.168
  431    HE2  LYS  53           HE2      LYS  54 -18.295  -3.087   0.133
  432    HE3  LYS  53           HE1      LYS  54 -19.274  -2.626   1.522
  433    HZ1  LYS  53           HZ1      LYS  54 -19.960  -1.505  -0.522
  434    HZ2  LYS  53           HZ2      LYS  54 -18.440  -0.783  -0.651
  435    HZ3  LYS  53           HZ3      LYS  54 -19.448  -0.402   0.652
  436    H    VAL  54           HN       VAL  55 -12.881  -3.842  -0.912
  437    HA   VAL  54           HA       VAL  55 -13.790  -6.343  -2.082
  438    HB   VAL  54           HB       VAL  55 -13.017  -4.469  -3.529
  439   HG11  VAL  54          HG11      VAL  55 -11.183  -3.661  -2.146
  440   HG12  VAL  54          HG12      VAL  55 -10.635  -4.041  -3.778
  441   HG13  VAL  54          HG13      VAL  55 -10.289  -5.149  -2.451
  442   HG21  VAL  54          HG21      VAL  55 -13.067  -6.748  -4.382
  443   HG22  VAL  54          HG22      VAL  55 -11.439  -7.028  -3.765
  444   HG23  VAL  54          HG23      VAL  55 -11.701  -5.859  -5.059
  445    H    THR  55           HN       THR  56 -11.213  -5.218   0.026
  446    HA   THR  55           HA       THR  56 -10.277  -7.978   0.261
  447    HB   THR  55           HB       THR  56  -8.919  -6.738  -1.514
  448    HG1  THR  55           HG1      THR  56  -7.429  -8.141  -0.990
  449   HG21  THR  55          HG21      THR  56  -8.820  -4.594  -0.177
  450   HG22  THR  55          HG22      THR  56  -7.279  -5.151  -0.831
  451   HG23  THR  55          HG23      THR  56  -7.655  -5.398   0.875
  452    H    ASN  56           HN       ASN  57  -8.334  -7.919   1.948
  453    HA   ASN  56           HA       ASN  57  -9.050  -6.082   4.134
  454    HB2  ASN  56           HB2      ASN  57  -8.242  -8.973   4.513
  455    HB3  ASN  56           HB1      ASN  57  -8.725  -7.838   5.768
  456   HD21  ASN  56          HD21      ASN  57  -9.737  -9.953   3.282
  457   HD22  ASN  56          HD22      ASN  57 -11.438  -9.897   3.611
  458    H    ARG  57           HN       ARG  58  -7.307  -5.850   5.721
  459    HA   ARG  57           HA       ARG  58  -5.080  -4.785   4.628
  460    HB2  ARG  57           HB2      ARG  58  -5.598  -4.225   6.852
  461    HB3  ARG  57           HB1      ARG  58  -5.552  -5.904   7.373
  462    HG2  ARG  57           HG2      ARG  58  -3.171  -5.974   7.171
  463    HG3  ARG  57           HG1      ARG  58  -3.137  -4.380   6.421
  464    HD2  ARG  57           HD2      ARG  58  -2.473  -4.240   8.749
  465    HD3  ARG  57           HD1      ARG  58  -4.001  -3.399   8.495
  466    HE   ARG  57           HE       ARG  58  -4.408  -6.097   9.312
  467   HH11  ARG  57          HH11      ARG  58  -3.607  -2.905  10.496
  468   HH12  ARG  57          HH12      ARG  58  -4.179  -3.217  12.102
  469   HH21  ARG  57          HH21      ARG  58  -5.163  -6.512  11.423
  470   HH22  ARG  57          HH22      ARG  58  -5.066  -5.273  12.631
  471    H    PHE  58           HN       PHE  59  -5.247  -8.145   5.915
  472    HA   PHE  58           HA       PHE  59  -2.387  -8.353   5.719
  473    HB2  PHE  58           HB2      PHE  59  -3.995  -9.587   7.352
  474    HB3  PHE  58           HB1      PHE  59  -4.185 -10.734   6.031
  475    HD1  PHE  58           HD1      PHE  59  -1.941 -11.623   5.001
  476    HD2  PHE  58           HD2      PHE  59  -2.309  -9.912   8.877
  477    HE1  PHE  58           HE1      PHE  59   0.124 -12.765   5.696
  478    HE2  PHE  58           HE2      PHE  59  -0.242 -11.045   9.577
  479    HZ   PHE  58           HZ       PHE  59   0.978 -12.473   7.986
  480    H    GLU  59           HN       GLU  60  -5.117  -9.565   3.838
  481    HA   GLU  59           HA       GLU  60  -3.621 -11.167   2.066
  482    HB2  GLU  59           HB2      GLU  60  -6.280  -9.783   1.697
  483    HB3  GLU  59           HB1      GLU  60  -5.616 -10.971   0.581
  484    HG2  GLU  59           HG2      GLU  60  -6.302 -11.452   3.472
  485    HG3  GLU  59           HG1      GLU  60  -7.246 -11.973   2.078
  486    H    VAL  60           HN       VAL  61  -4.782  -7.818   1.788
  487    HA   VAL  60           HA       VAL  61  -3.623  -7.399  -0.766
  488    HB   VAL  60           HB       VAL  61  -5.505  -6.055   0.135
  489   HG11  VAL  60          HG11      VAL  61  -4.674  -5.759   2.418
  490   HG12  VAL  60          HG12      VAL  61  -5.101  -4.227   1.661
  491   HG13  VAL  60          HG13      VAL  61  -3.409  -4.693   1.809
  492   HG21  VAL  60          HG21      VAL  61  -3.070  -4.542  -0.753
  493   HG22  VAL  60          HG22      VAL  61  -4.701  -3.876  -0.721
  494   HG23  VAL  60          HG23      VAL  61  -4.325  -5.239  -1.777
  495    H    GLU  61           HN       GLU  62  -2.518  -6.784   2.538
  496    HA   GLU  61           HA       GLU  62  -0.113  -5.479   2.105
  497    HB2  GLU  61           HB2      GLU  62  -1.283  -6.261   4.294
  498    HB3  GLU  61           HB1      GLU  62  -0.381  -7.744   4.065
  499    HG2  GLU  61           HG2      GLU  62   0.842  -5.014   4.349
  500    HG3  GLU  61           HG1      GLU  62   0.658  -6.185   5.649
  501    H    GLN  62           HN       GLN  63  -0.785  -8.958   2.092
  502    HA   GLN  62           HA       GLN  63   1.741  -9.920   1.487
  503    HB2  GLN  62           HB2      GLN  63  -0.141 -11.375   2.067
  504    HB3  GLN  62           HB1      GLN  63  -0.938 -10.967   0.555
  505    HG2  GLN  62           HG2      GLN  63   0.906 -11.999  -0.681
  506    HG3  GLN  62           HG1      GLN  63   1.663 -12.448   0.845
  507   HE21  GLN  62          HE21      GLN  63  -0.913 -13.040   2.102
  508   HE22  GLN  62          HE22      GLN  63  -1.429 -14.551   1.443
  509    H    ALA  63           HN       ALA  64  -0.828  -8.853  -0.719
  510    HA   ALA  63           HA       ALA  64   0.619  -9.327  -3.097
  511    HB1  ALA  63           HB1      ALA  64  -1.592  -7.331  -2.622
  512    HB2  ALA  63           HB2      ALA  64  -1.814  -9.033  -3.029
  513    HB3  ALA  63           HB3      ALA  64  -1.050  -7.943  -4.186
  514    H    ILE  64           HN       ILE  65   0.489  -6.566  -0.911
  515    HA   ILE  64           HA       ILE  65   1.890  -4.750  -2.561
  516    HB   ILE  64           HB       ILE  65   1.204  -4.846   0.325
  517   HG12  ILE  64          HG12      ILE  65   0.897  -2.281  -0.698
  518   HG13  ILE  64          HG11      ILE  65   0.549  -3.326  -2.063
  519   HG21  ILE  64          HG21      ILE  65   3.553  -4.261   0.457
  520   HG22  ILE  64          HG22      ILE  65   2.551  -2.856   0.825
  521   HG23  ILE  64          HG23      ILE  65   3.329  -2.997  -0.752
  522   HD11  ILE  64          HD11      ILE  65  -1.166  -4.453  -0.828
  523   HD12  ILE  64          HD12      ILE  65  -1.448  -2.713  -0.790
  524   HD13  ILE  64          HD13      ILE  65  -0.775  -3.528   0.622
  525    H    ARG  65           HN       ARG  66   3.055  -6.960   0.011
  526    HA   ARG  65           HA       ARG  66   5.749  -6.143  -0.262
  527    HB2  ARG  65           HB2      ARG  66   6.292  -8.336   0.850
  528    HB3  ARG  65           HB1      ARG  66   5.289  -7.223   1.762
  529    HG2  ARG  65           HG2      ARG  66   4.064  -9.050   2.159
  530    HG3  ARG  65           HG1      ARG  66   3.436  -8.791   0.529
  531    HD2  ARG  65           HD2      ARG  66   4.902 -10.382  -0.399
  532    HD3  ARG  65           HD1      ARG  66   5.908 -10.414   1.046
  533    HE   ARG  65           HE       ARG  66   3.468 -11.278   1.905
  534   HH11  ARG  65          HH11      ARG  66   5.717 -12.299  -0.583
  535   HH12  ARG  65          HH12      ARG  66   5.246 -13.965  -0.498
  536   HH21  ARG  65          HH21      ARG  66   2.884 -13.497   2.038
  537   HH22  ARG  65          HH22      ARG  66   3.647 -14.645   0.982
  538    H    GLN  66           HN       GLN  67   3.869  -8.593  -1.862
  539    HA   GLN  66           HA       GLN  67   5.991  -9.788  -3.302
  540    HB2  GLN  66           HB2      GLN  67   3.053  -9.578  -3.923
  541    HB3  GLN  66           HB1      GLN  67   4.187 -10.573  -4.833
  542    HG2  GLN  66           HG2      GLN  67   4.699 -11.845  -2.827
  543    HG3  GLN  66           HG1      GLN  67   3.593 -10.844  -1.903
  544   HE21  GLN  66          HE21      GLN  67   3.878 -13.354  -4.289
  545   HE22  GLN  66          HE22      GLN  67   2.221 -13.850  -4.262
  546    H    ALA  67           HN       ALA  68   4.066  -6.917  -3.856
  547    HA   ALA  67           HA       ALA  68   4.938  -6.450  -6.521
  548    HB1  ALA  67           HB1      ALA  68   3.820  -4.669  -4.376
  549    HB2  ALA  67           HB2      ALA  68   3.015  -5.277  -5.822
  550    HB3  ALA  67           HB3      ALA  68   4.277  -4.053  -5.965
  551    H    LEU  68           HN       LEU  69   6.171  -5.661  -3.341
  552    HA   LEU  68           HA       LEU  69   8.397  -4.113  -4.286
  553    HB2  LEU  68           HB2      LEU  69   7.887  -5.425  -1.618
  554    HB3  LEU  68           HB1      LEU  69   9.172  -4.280  -1.953
  555    HG   LEU  68           HG       LEU  69   6.248  -3.632  -2.206
  556   HD11  LEU  68          HD11      LEU  69   6.887  -4.166   0.106
  557   HD12  LEU  68          HD12      LEU  69   6.427  -2.477  -0.110
  558   HD13  LEU  68          HD13      LEU  69   8.130  -2.918   0.020
  559   HD21  LEU  68          HD21      LEU  69   8.755  -2.075  -2.450
  560   HD22  LEU  68          HD22      LEU  69   7.237  -1.289  -2.043
  561   HD23  LEU  68          HD23      LEU  69   7.403  -2.161  -3.568
  562    H    GLU  69           HN       GLU  70   7.714  -7.434  -3.651
  563    HA   GLU  69           HA       GLU  70  10.367  -8.425  -3.526
  564    HB2  GLU  69           HB2      GLU  70   7.971  -9.498  -2.956
  565    HB3  GLU  69           HB1      GLU  70   8.165 -10.122  -4.589
  566    HG2  GLU  69           HG2      GLU  70  10.212 -10.478  -2.422
  567    HG3  GLU  69           HG1      GLU  70   8.937 -11.636  -2.768
  Start of MODEL   17
    1    H1   MET   0           HT1      MET   1 -14.245  10.668   4.809
    2    H2   MET   0           HT2      MET   1 -12.982  11.783   4.673
    3    H3   MET   0           HT3      MET   1 -12.966  10.372   3.744
    4    HA   MET   0           HA       MET   1 -14.882  11.073   2.526
    5    HB2  MET   0           HB2      MET   1 -14.693  13.530   4.275
    6    HB3  MET   0           HB1      MET   1 -15.705  13.408   2.843
    7    HG2  MET   0           HG2      MET   1 -15.934  11.754   5.344
    8    HG3  MET   0           HG1      MET   1 -17.016  13.047   4.833
    9    HE1  MET   0           HE1      MET   1 -18.040  10.157   5.669
   10    HE2  MET   0           HE2      MET   1 -19.234   9.849   4.408
   11    HE3  MET   0           HE3      MET   1 -19.112  11.451   5.136
   12    H    GLY   1           HN       GLY   2 -14.835  13.249   1.052
   13    HA2  GLY   1           HA2      GLY   2 -13.594  14.570  -0.383
   14    HA3  GLY   1           HA1      GLY   2 -12.176  14.262   0.612
   15    H    LYS   2           HN       LYS   3 -10.655  13.013  -0.221
   16    HA   LYS   2           HA       LYS   3 -11.308  11.375  -2.566
   17    HB2  LYS   2           HB2      LYS   3  -8.697  12.419  -1.473
   18    HB3  LYS   2           HB1      LYS   3  -8.759  11.182  -2.718
   19    HG2  LYS   2           HG2      LYS   3  -8.414  13.220  -3.827
   20    HG3  LYS   2           HG1      LYS   3 -10.103  12.805  -4.098
   21    HD2  LYS   2           HD2      LYS   3 -10.775  14.358  -2.344
   22    HD3  LYS   2           HD1      LYS   3  -9.082  14.748  -2.031
   23    HE2  LYS   2           HE2      LYS   3 -10.577  15.242  -4.603
   24    HE3  LYS   2           HE1      LYS   3 -10.132  16.459  -3.411
   25    HZ1  LYS   2           HZ1      LYS   3  -8.236  14.815  -4.996
   26    HZ2  LYS   2           HZ2      LYS   3  -7.802  15.969  -3.840
   27    HZ3  LYS   2           HZ3      LYS   3  -8.591  16.447  -5.256
   28    H    GLU   3           HN       GLU   4 -11.096  11.103   0.683
   29    HA   GLU   3           HA       GLU   4 -10.042   8.356   0.606
   30    HB2  GLU   3           HB2      GLU   4  -8.771   9.977   2.009
   31    HB3  GLU   3           HB1      GLU   4 -10.217  10.234   2.971
   32    HG2  GLU   3           HG2      GLU   4 -10.190   7.775   3.475
   33    HG3  GLU   3           HG1      GLU   4  -8.600   7.718   2.717
   34    HA   PRO   4           HA       PRO   5 -14.437   7.438   1.427
   35    HB2  PRO   4           HB2      PRO   5 -13.344   4.697   1.184
   36    HB3  PRO   4           HB1      PRO   5 -14.717   5.435   0.358
   37    HG2  PRO   4           HG2      PRO   5 -12.438   4.957  -0.927
   38    HG3  PRO   4           HG1      PRO   5 -13.393   6.411  -1.265
   39    HD2  PRO   4           HD2      PRO   5 -10.904   6.110   0.363
   40    HD3  PRO   4           HD1      PRO   5 -11.364   7.408  -0.757
   41    HA   PRO   5           HA       PRO   6 -13.957   6.419   5.732
   42    HB2  PRO   5           HB2      PRO   6 -16.664   5.342   5.780
   43    HB3  PRO   5           HB1      PRO   6 -16.048   6.833   6.496
   44    HG2  PRO   5           HG2      PRO   6 -17.748   6.811   4.384
   45    HG3  PRO   5           HG1      PRO   6 -16.541   8.086   4.638
   46    HD2  PRO   5           HD2      PRO   6 -16.445   5.721   2.799
   47    HD3  PRO   5           HD1      PRO   6 -15.940   7.399   2.510
   48    H    TYR   6           HN       TYR   7 -13.934   4.167   3.418
   49    HA   TYR   6           HA       TYR   7 -14.152   1.896   5.271
   50    HB2  TYR   6           HB2      TYR   7 -14.354   1.963   2.265
   51    HB3  TYR   6           HB1      TYR   7 -14.361   0.491   3.225
   52    HD1  TYR   6           HD1      TYR   7 -16.278  -0.001   4.714
   53    HD2  TYR   6           HD2      TYR   7 -16.307   3.327   2.063
   54    HE1  TYR   6           HE1      TYR   7 -18.719   0.161   4.954
   55    HE2  TYR   6           HE2      TYR   7 -18.748   3.498   2.297
   56    HH   TYR   6           HH       TYR   7 -20.640   2.107   2.903
   57    H    VAL   7           HN       VAL   8 -11.865   3.877   4.321
   58    HA   VAL   7           HA       VAL   8  -9.924   2.069   3.247
   59    HB   VAL   7           HB       VAL   8  -8.332   3.925   3.544
   60   HG11  VAL   7          HG11      VAL   8  -9.530   3.812   1.484
   61   HG12  VAL   7          HG12      VAL   8  -9.427   5.502   1.972
   62   HG13  VAL   7          HG13      VAL   8 -10.931   4.608   2.198
   63   HG21  VAL   7          HG21      VAL   8 -10.686   5.436   4.654
   64   HG22  VAL   7          HG22      VAL   8  -9.082   6.093   4.328
   65   HG23  VAL   7          HG23      VAL   8  -9.298   4.874   5.583
   66    H    SER   8           HN       SER   9  -8.151   1.226   4.232
   67    HA   SER   8           HA       SER   9  -7.665   1.902   7.046
   68    HB2  SER   8           HB2      SER   9  -8.720  -0.399   6.828
   69    HB3  SER   8           HB1      SER   9  -7.290  -0.892   5.920
   70    HG   SER   8           HG       SER   9  -7.142   0.234   8.516
   71    H    SER   9           HN       SER  10  -5.776   2.954   7.053
   72    HA   SER   9           HA       SER  10  -3.955   2.714   4.839
   73    HB2  SER   9           HB2      SER  10  -3.621   4.288   7.401
   74    HB3  SER   9           HB1      SER  10  -2.731   4.517   5.898
   75    HG   SER   9           HG       SER  10  -5.485   4.993   6.390
   76    H    LEU  10           HN       LEU  11  -2.870   0.841   4.784
   77    HA   LEU  10           HA       LEU  11  -1.855  -0.429   7.163
   78    HB2  LEU  10           HB2      LEU  11  -1.080  -1.092   4.335
   79    HB3  LEU  10           HB1      LEU  11  -1.080  -2.154   5.727
   80    HG   LEU  10           HG       LEU  11  -3.439  -1.163   4.146
   81   HD11  LEU  10          HD11      LEU  11  -2.338  -3.899   4.752
   82   HD12  LEU  10          HD12      LEU  11  -2.307  -3.056   3.203
   83   HD13  LEU  10          HD13      LEU  11  -3.843  -3.582   3.891
   84   HD21  LEU  10          HD21      LEU  11  -3.474  -2.634   6.779
   85   HD22  LEU  10          HD22      LEU  11  -4.868  -2.386   5.732
   86   HD23  LEU  10          HD23      LEU  11  -4.067  -1.003   6.478
   87    H    ARG  11           HN       ARG  12   0.089  -0.044   8.082
   88    HA   ARG  11           HA       ARG  12   2.005   1.606   6.648
   89    HB2  ARG  11           HB2      ARG  12   1.419   1.760   9.192
   90    HB3  ARG  11           HB1      ARG  12   2.544   0.415   9.348
   91    HG2  ARG  11           HG2      ARG  12   4.228   1.832   8.120
   92    HG3  ARG  11           HG1      ARG  12   3.108   3.181   8.315
   93    HD2  ARG  11           HD2      ARG  12   4.469   3.464  10.143
   94    HD3  ARG  11           HD1      ARG  12   3.176   2.484  10.833
   95    HE   ARG  11           HE       ARG  12   5.304   0.873   9.813
   96   HH11  ARG  11          HH11      ARG  12   4.354   2.855  12.542
   97   HH12  ARG  11          HH12      ARG  12   5.410   2.044  13.652
   98   HH21  ARG  11          HH21      ARG  12   6.712  -0.161  11.256
   99   HH22  ARG  11          HH22      ARG  12   6.747   0.322  12.925
  100    H    ILE  12           HN       ILE  13   3.115   0.538   5.161
  101    HA   ILE  12           HA       ILE  13   3.974  -2.211   5.615
  102    HB   ILE  12           HB       ILE  13   4.814  -0.714   3.184
  103   HG12  ILE  12          HG12      ILE  13   2.481   0.016   3.451
  104   HG13  ILE  12          HG11      ILE  13   2.671  -1.048   2.067
  105   HG21  ILE  12          HG21      ILE  13   3.740  -3.483   3.660
  106   HG22  ILE  12          HG22      ILE  13   5.440  -3.034   3.505
  107   HG23  ILE  12          HG23      ILE  13   4.355  -2.871   2.124
  108   HD11  ILE  12          HD11      ILE  13   1.790  -2.919   3.449
  109   HD12  ILE  12          HD12      ILE  13   0.642  -1.603   3.215
  110   HD13  ILE  12          HD13      ILE  13   1.498  -1.764   4.747
  111    H    GLU  13           HN       GLU  14   5.995  -2.708   6.267
  112    HA   GLU  13           HA       GLU  14   7.910  -0.596   6.683
  113    HB2  GLU  13           HB2      GLU  14   8.176  -3.585   7.046
  114    HB3  GLU  13           HB1      GLU  14   9.368  -2.396   7.552
  115    HG2  GLU  13           HG2      GLU  14   6.586  -2.772   8.618
  116    HG3  GLU  13           HG1      GLU  14   8.107  -3.039   9.461
  117    H    ILE  14           HN       ILE  15   9.025   0.190   5.052
  118    HA   ILE  14           HA       ILE  15   9.178  -1.171   2.545
  119    HB   ILE  14           HB       ILE  15  10.419   1.413   3.495
  120   HG12  ILE  14          HG12      ILE  15   8.029   0.953   1.709
  121   HG13  ILE  14          HG11      ILE  15   7.907   1.230   3.437
  122   HG21  ILE  14          HG21      ILE  15  11.464   0.150   1.465
  123   HG22  ILE  14          HG22      ILE  15  11.140   1.884   1.354
  124   HG23  ILE  14          HG23      ILE  15  10.029   0.732   0.614
  125   HD11  ILE  14          HD11      ILE  15   9.149   3.147   1.500
  126   HD12  ILE  14          HD12      ILE  15   8.820   3.430   3.202
  127   HD13  ILE  14          HD13      ILE  15   7.487   3.235   2.063
  128    HA   PRO  15           HA       PRO  16  13.047  -3.314   3.063
  129    HB2  PRO  15           HB2      PRO  16  13.505  -2.821   0.211
  130    HB3  PRO  15           HB1      PRO  16  13.322  -4.348   1.064
  131    HG2  PRO  15           HG2      PRO  16  11.438  -3.310  -0.609
  132    HG3  PRO  15           HG1      PRO  16  11.070  -4.415   0.716
  133    HD2  PRO  15           HD2      PRO  16  10.618  -1.508   0.499
  134    HD3  PRO  15           HD1      PRO  16   9.757  -2.710   1.465
  135    H    ALA  16           HN       ALA  17  15.273  -2.868   3.002
  136    HA   ALA  16           HA       ALA  17  15.929  -0.125   3.359
  137    HB1  ALA  16           HB1      ALA  17  17.861  -2.407   3.067
  138    HB2  ALA  16           HB2      ALA  17  16.956  -2.092   4.552
  139    HB3  ALA  16           HB3      ALA  17  18.095  -0.891   3.940
  140    H    ASP  17           HN       ASP  18  16.581  -2.499   0.851
  141    HA   ASP  17           HA       ASP  18  18.329  -0.750  -0.611
  142    HB2  ASP  17           HB2      ASP  18  17.086  -3.392  -1.410
  143    HB3  ASP  17           HB1      ASP  18  18.352  -2.550  -2.291
  144    H    ILE  18           HN       ILE  19  14.959  -1.578  -0.637
  145    HA   ILE  18           HA       ILE  19  14.379  -0.393  -3.173
  146    HB   ILE  18           HB       ILE  19  12.699  -1.374  -0.893
  147   HG12  ILE  18          HG12      ILE  19  11.730  -2.820  -2.598
  148   HG13  ILE  18          HG11      ILE  19  12.637  -1.995  -3.853
  149   HG21  ILE  18          HG21      ILE  19  11.631   0.710  -1.524
  150   HG22  ILE  18          HG22      ILE  19  10.660  -0.666  -2.047
  151   HG23  ILE  18          HG23      ILE  19  11.637   0.220  -3.217
  152   HD11  ILE  18          HD11      ILE  19  13.932  -3.493  -1.605
  153   HD12  ILE  18          HD12      ILE  19  14.680  -2.901  -3.082
  154   HD13  ILE  18          HD13      ILE  19  13.520  -4.226  -3.151
  155    H    ALA  19           HN       ALA  20  13.968   1.711  -3.623
  156    HA   ALA  19           HA       ALA  20  14.390   3.654  -1.534
  157    HB1  ALA  19           HB1      ALA  20  14.077   5.314  -3.363
  158    HB2  ALA  19           HB2      ALA  20  13.817   3.964  -4.474
  159    HB3  ALA  19           HB3      ALA  20  15.370   4.145  -3.653
  160    H    ALA  20           HN       ALA  21  12.910   4.746  -0.459
  161    HA   ALA  20           HA       ALA  21  10.113   4.191  -0.847
  162    HB1  ALA  20           HB1      ALA  21   9.915   5.867   1.057
  163    HB2  ALA  20           HB2      ALA  21  11.676   5.879   1.081
  164    HB3  ALA  20           HB3      ALA  21  10.801   4.383   1.394
  165    H    ASN  21           HN       ASN  22   9.522   5.060  -2.830
  166    HA   ASN  21           HA       ASN  22   9.170   7.922  -2.910
  167    HB2  ASN  21           HB2      ASN  22  10.387   8.367  -4.914
  168    HB3  ASN  21           HB1      ASN  22  11.490   7.521  -3.839
  169   HD21  ASN  21          HD21      ASN  22  12.051   5.371  -4.313
  170   HD22  ASN  21          HD22      ASN  22  11.852   4.717  -5.903
  171    H    GLU  22           HN       GLU  23   8.472   8.207  -5.588
  172    HA   GLU  22           HA       GLU  23   5.829   7.292  -5.519
  173    HB2  GLU  22           HB2      GLU  23   6.732   9.268  -6.800
  174    HB3  GLU  22           HB1      GLU  23   7.313   8.131  -8.007
  175    HG2  GLU  22           HG2      GLU  23   5.030   7.370  -8.397
  176    HG3  GLU  22           HG1      GLU  23   4.443   8.504  -7.182
  177    H    ALA  23           HN       ALA  24   8.699   5.843  -6.955
  178    HA   ALA  23           HA       ALA  24   7.476   4.005  -8.678
  179    HB1  ALA  23           HB1      ALA  24   9.872   4.403  -8.696
  180    HB2  ALA  23           HB2      ALA  24   9.535   2.687  -8.470
  181    HB3  ALA  23           HB3      ALA  24  10.023   3.680  -7.096
  182    H    LEU  24           HN       LEU  25   8.260   3.737  -5.234
  183    HA   LEU  24           HA       LEU  25   7.256   1.133  -4.849
  184    HB2  LEU  24           HB2      LEU  25   8.688   2.301  -3.217
  185    HB3  LEU  24           HB1      LEU  25   7.399   3.441  -2.905
  186    HG   LEU  24           HG       LEU  25   6.727   0.591  -2.470
  187   HD11  LEU  24          HD11      LEU  25   8.544   2.101  -0.599
  188   HD12  LEU  24          HD12      LEU  25   9.017   0.724  -1.593
  189   HD13  LEU  24          HD13      LEU  25   7.824   0.517  -0.310
  190   HD21  LEU  24          HD21      LEU  25   6.259   3.149  -0.940
  191   HD22  LEU  24          HD22      LEU  25   5.616   1.568  -0.497
  192   HD23  LEU  24          HD23      LEU  25   5.112   2.334  -2.004
  193    H    LYS  25           HN       LYS  26   5.809   4.317  -4.693
  194    HA   LYS  25           HA       LYS  26   3.295   3.613  -3.696
  195    HB2  LYS  25           HB2      LYS  26   4.035   5.914  -3.787
  196    HB3  LYS  25           HB1      LYS  26   4.117   5.859  -5.538
  197    HG2  LYS  25           HG2      LYS  26   1.654   5.428  -5.546
  198    HG3  LYS  25           HG1      LYS  26   1.666   5.751  -3.817
  199    HD2  LYS  25           HD2      LYS  26   2.627   7.979  -4.282
  200    HD3  LYS  25           HD1      LYS  26   2.468   7.646  -6.008
  201    HE2  LYS  25           HE2      LYS  26   0.075   7.415  -5.792
  202    HE3  LYS  25           HE1      LYS  26   0.180   7.607  -4.049
  203    HZ1  LYS  25           HZ1      LYS  26  -0.508   9.659  -5.106
  204    HZ2  LYS  25           HZ2      LYS  26   0.886   9.672  -6.062
  205    HZ3  LYS  25           HZ3      LYS  26   1.011   9.862  -4.388
  206    H    VAL  26           HN       VAL  27   4.383   3.994  -7.068
  207    HA   VAL  26           HA       VAL  27   1.823   3.516  -8.164
  208    HB   VAL  26           HB       VAL  27   2.918   3.364 -10.338
  209   HG11  VAL  26          HG11      VAL  27   4.002   5.552  -8.574
  210   HG12  VAL  26          HG12      VAL  27   2.456   5.555  -9.421
  211   HG13  VAL  26          HG13      VAL  27   3.963   5.592 -10.337
  212   HG21  VAL  26          HG21      VAL  27   4.891   2.107  -9.800
  213   HG22  VAL  26          HG22      VAL  27   5.486   3.403  -8.764
  214   HG23  VAL  26          HG23      VAL  27   5.372   3.650 -10.506
  215    H    ARG  27           HN       ARG  28   4.544   1.353  -7.494
  216    HA   ARG  27           HA       ARG  28   3.436  -0.856  -8.901
  217    HB2  ARG  27           HB2      ARG  28   5.066  -2.242  -7.722
  218    HB3  ARG  27           HB1      ARG  28   5.822  -0.779  -8.334
  219    HG2  ARG  27           HG2      ARG  28   5.683   0.205  -6.083
  220    HG3  ARG  27           HG1      ARG  28   4.991  -1.305  -5.489
  221    HD2  ARG  27           HD2      ARG  28   7.384  -1.161  -5.015
  222    HD3  ARG  27           HD1      ARG  28   7.028  -2.496  -6.106
  223    HE   ARG  27           HE       ARG  28   7.753  -0.059  -7.453
  224   HH11  ARG  27          HH11      ARG  28   8.939  -3.022  -6.004
  225   HH12  ARG  27          HH12      ARG  28  10.459  -2.972  -6.838
  226   HH21  ARG  27          HH21      ARG  28   9.740  -0.005  -8.571
  227   HH22  ARG  27          HH22      ARG  28  10.917  -1.250  -8.299
  228    H    LEU  28           HN       LEU  29   3.137   0.294  -5.573
  229    HA   LEU  28           HA       LEU  29   1.547  -1.921  -4.728
  230    HB2  LEU  28           HB2      LEU  29   1.782   0.821  -3.500
  231    HB3  LEU  28           HB1      LEU  29   1.144  -0.614  -2.722
  232    HG   LEU  28           HG       LEU  29   3.993  -0.039  -3.477
  233   HD11  LEU  28          HD11      LEU  29   3.359   0.899  -1.383
  234   HD12  LEU  28          HD12      LEU  29   4.355  -0.524  -1.071
  235   HD13  LEU  28          HD13      LEU  29   2.604  -0.613  -0.877
  236   HD21  LEU  28          HD21      LEU  29   2.719  -2.633  -2.762
  237   HD22  LEU  28          HD22      LEU  29   4.429  -2.330  -2.493
  238   HD23  LEU  28          HD23      LEU  29   3.764  -2.269  -4.126
  239    H    LEU  29           HN       LEU  30   0.901   1.196  -6.175
  240    HA   LEU  29           HA       LEU  30  -1.857   1.351  -5.655
  241    HB2  LEU  29           HB2      LEU  30  -0.027   2.556  -7.677
  242    HB3  LEU  29           HB1      LEU  30  -1.754   2.709  -7.909
  243    HG   LEU  29           HG       LEU  30  -0.275   3.637  -5.447
  244   HD11  LEU  29          HD11      LEU  30   0.441   5.104  -7.089
  245   HD12  LEU  29          HD12      LEU  30  -0.981   5.910  -6.432
  246   HD13  LEU  29          HD13      LEU  30  -1.089   5.038  -7.959
  247   HD21  LEU  29          HD21      LEU  30  -2.290   3.755  -4.530
  248   HD22  LEU  29          HD22      LEU  30  -3.058   3.239  -6.030
  249   HD23  LEU  29          HD23      LEU  30  -2.729   4.949  -5.749
  250    H    GLU  30           HN       GLU  31  -0.084  -0.666  -7.795
  251    HA   GLU  30           HA       GLU  31  -2.275  -1.179  -9.600
  252    HB2  GLU  30           HB2      GLU  31   0.390  -2.563  -9.257
  253    HB3  GLU  30           HB1      GLU  31  -0.750  -2.874 -10.561
  254    HG2  GLU  30           HG2      GLU  31   0.513  -0.198 -10.028
  255    HG3  GLU  30           HG1      GLU  31   1.141  -1.383 -11.168
  256    H    THR  31           HN       THR  32  -2.126  -1.888  -6.527
  257    HA   THR  31           HA       THR  32  -2.785  -4.726  -6.718
  258    HB   THR  31           HB       THR  32  -2.721  -3.164  -4.154
  259    HG1  THR  31           HG1      THR  32  -0.684  -2.786  -4.822
  260   HG21  THR  31          HG21      THR  32  -2.543  -5.238  -3.157
  261   HG22  THR  31          HG22      THR  32  -1.867  -5.992  -4.591
  262   HG23  THR  31          HG23      THR  32  -3.583  -5.595  -4.522
  263    H    GLU  32           HN       GLU  33  -4.738  -5.552  -5.841
  264    HA   GLU  32           HA       GLU  33  -6.939  -3.867  -6.649
  265    HB2  GLU  32           HB2      GLU  33  -6.865  -6.255  -7.282
  266    HB3  GLU  32           HB1      GLU  33  -6.981  -6.694  -5.583
  267    HG2  GLU  32           HG2      GLU  33  -9.132  -6.915  -6.641
  268    HG3  GLU  32           HG1      GLU  33  -9.177  -5.605  -5.464
  269    H    GLY  33           HN       GLY  34  -8.005  -2.581  -5.354
  270    HA2  GLY  33           HA2      GLY  34  -9.390  -2.295  -3.407
  271    HA3  GLY  33           HA1      GLY  34  -8.283  -3.328  -2.520
  272    H    VAL  34           HN       VAL  35  -6.178  -1.596  -4.175
  273    HA   VAL  34           HA       VAL  35  -5.595   0.108  -1.974
  274    HB   VAL  34           HB       VAL  35  -4.366   0.056  -4.730
  275   HG11  VAL  34          HG11      VAL  35  -3.490   1.502  -2.232
  276   HG12  VAL  34          HG12      VAL  35  -4.065   2.246  -3.725
  277   HG13  VAL  34          HG13      VAL  35  -2.544   1.355  -3.712
  278   HG21  VAL  34          HG21      VAL  35  -4.185  -1.933  -3.153
  279   HG22  VAL  34          HG22      VAL  35  -3.182  -0.894  -2.143
  280   HG23  VAL  34          HG23      VAL  35  -2.681  -1.273  -3.792
  281    H    LYS  35           HN       LYS  36  -6.360   2.067  -1.576
  282    HA   LYS  35           HA       LYS  36  -7.779   3.493  -3.703
  283    HB2  LYS  35           HB2      LYS  36  -7.658   3.979  -0.725
  284    HB3  LYS  35           HB1      LYS  36  -8.596   4.943  -1.857
  285    HG2  LYS  35           HG2      LYS  36  -8.976   2.021  -1.243
  286    HG3  LYS  35           HG1      LYS  36 -10.019   3.350  -0.738
  287    HD2  LYS  35           HD2      LYS  36  -9.473   2.554  -3.587
  288    HD3  LYS  35           HD1      LYS  36 -10.917   2.128  -2.679
  289    HE2  LYS  35           HE2      LYS  36 -11.415   4.526  -2.406
  290    HE3  LYS  35           HE1      LYS  36 -10.004   4.912  -3.383
  291    HZ1  LYS  35           HZ1      LYS  36 -12.062   4.961  -4.663
  292    HZ2  LYS  35           HZ2      LYS  36 -12.339   3.333  -4.313
  293    HZ3  LYS  35           HZ3      LYS  36 -11.001   3.784  -5.246
  294    H    GLU  36           HN       GLU  37  -4.990   3.676  -1.637
  295    HA   GLU  36           HA       GLU  37  -3.712   5.625  -3.231
  296    HB2  GLU  36           HB2      GLU  37  -5.172   7.215  -2.221
  297    HB3  GLU  36           HB1      GLU  37  -4.927   6.530  -0.622
  298    HG2  GLU  36           HG2      GLU  37  -2.705   7.353  -0.534
  299    HG3  GLU  36           HG1      GLU  37  -2.764   7.869  -2.220
  300    H    VAL  37           HN       VAL  38  -1.538   5.681  -2.811
  301    HA   VAL  37           HA       VAL  38  -0.607   4.157  -0.466
  302    HB   VAL  37           HB       VAL  38   0.722   4.326  -3.175
  303   HG11  VAL  37          HG11      VAL  38   2.344   4.273  -1.353
  304   HG12  VAL  37          HG12      VAL  38   2.353   2.752  -2.246
  305   HG13  VAL  37          HG13      VAL  38   1.553   2.852  -0.678
  306   HG21  VAL  37          HG21      VAL  38  -0.362   1.884  -1.811
  307   HG22  VAL  37          HG22      VAL  38   0.168   2.054  -3.484
  308   HG23  VAL  37          HG23      VAL  38  -1.313   2.842  -2.940
  309    H    LEU  38           HN       LEU  39   0.654   5.183   0.894
  310    HA   LEU  38           HA       LEU  39   1.772   7.802   0.130
  311    HB2  LEU  38           HB2      LEU  39   0.832   6.658   2.726
  312    HB3  LEU  38           HB1      LEU  39   1.893   8.043   2.690
  313    HG   LEU  38           HG       LEU  39   0.112   9.210   1.311
  314   HD11  LEU  38          HD11      LEU  39  -1.108   7.182   0.628
  315   HD12  LEU  38          HD12      LEU  39  -2.146   8.351   1.445
  316   HD13  LEU  38          HD13      LEU  39  -1.578   6.921   2.308
  317   HD21  LEU  38          HD21      LEU  39   0.608   9.306   3.832
  318   HD22  LEU  38          HD22      LEU  39  -0.903   8.409   4.003
  319   HD23  LEU  38          HD23      LEU  39  -0.900   9.998   3.233
  320    H    ILE  39           HN       ILE  40   3.914   8.181   0.381
  321    HA   ILE  39           HA       ILE  40   5.536   6.030   1.555
  322    HB   ILE  39           HB       ILE  40   6.168   8.163  -0.455
  323   HG12  ILE  39          HG12      ILE  40   7.306   6.319  -1.603
  324   HG13  ILE  39          HG11      ILE  40   6.933   5.240  -0.268
  325   HG21  ILE  39          HG21      ILE  40   8.031   7.042   1.589
  326   HG22  ILE  39          HG22      ILE  40   7.932   8.677   0.920
  327   HG23  ILE  39          HG23      ILE  40   8.636   7.376  -0.040
  328   HD11  ILE  39          HD11      ILE  40   4.691   5.150  -0.829
  329   HD12  ILE  39          HD12      ILE  40   5.510   5.130  -2.387
  330   HD13  ILE  39          HD13      ILE  40   4.768   6.618  -1.798
  331    H    ALA  40           HN       ALA  41   6.420   6.342   3.476
  332    HA   ALA  40           HA       ALA  41   6.779   9.103   4.441
  333    HB1  ALA  40           HB1      ALA  41   6.144   6.654   6.073
  334    HB2  ALA  40           HB2      ALA  41   4.992   7.924   5.656
  335    HB3  ALA  40           HB3      ALA  41   6.369   8.288   6.698
  336    H    GLU  41           HN       GLU  42   8.918   9.114   3.614
  337    HA   GLU  41           HA       GLU  42  10.845   7.134   4.162
  338    HB2  GLU  41           HB2      GLU  42  10.759   9.693   2.888
  339    HB3  GLU  41           HB1      GLU  42  12.142   9.644   3.970
  340    HG2  GLU  41           HG2      GLU  42  11.540   7.581   1.873
  341    HG3  GLU  41           HG1      GLU  42  12.652   8.930   1.666
  342    H    GLU  42           HN       GLU  43   9.554   9.725   6.023
  343    HA   GLU  42           HA       GLU  43  11.500  10.053   7.992
  344    HB2  GLU  42           HB2      GLU  43   8.525  10.092   8.459
  345    HB3  GLU  42           HB1      GLU  43   9.762  10.943   9.375
  346    HG2  GLU  42           HG2      GLU  43   8.961  12.631   8.086
  347    HG3  GLU  42           HG1      GLU  43  10.272  12.057   7.068
  348    H    GLU  43           HN       GLU  44   9.078   7.582   7.529
  349    HA   GLU  43           HA       GLU  44   9.956   6.192   9.970
  350    HB2  GLU  43           HB2      GLU  44   7.449   5.846   8.310
  351    HB3  GLU  43           HB1      GLU  44   7.845   4.906   9.740
  352    HG2  GLU  43           HG2      GLU  44   7.795   6.947  11.082
  353    HG3  GLU  43           HG1      GLU  44   7.368   7.874   9.646
  354    H    HIS  44           HN       HIS  45  10.460   6.296   6.752
  355    HA   HIS  44           HA       HIS  45  10.998   4.928   5.039
  356    HB2  HIS  44           HB2      HIS  45  12.882   4.480   6.691
  357    HB3  HIS  44           HB1      HIS  45  12.025   3.008   7.130
  358    HD1  HIS  44           HD1      HIS  45  13.326   4.623   3.919
  359    HD2  HIS  44           HD2      HIS  45  12.808   0.882   5.672
  360    HE1  HIS  44           HE1      HIS  45  14.293   2.961   2.293
  361    HE2  HIS  44           HE2      HIS  45  13.785   0.707   3.282
  362    H    SER  45           HN       SER  46   8.391   4.786   5.845
  363    HA   SER  45           HA       SER  46   7.725   2.037   5.142
  364    HB2  SER  45           HB2      SER  46   6.536   3.525   7.501
  365    HB3  SER  45           HB1      SER  46   5.937   1.989   6.876
  366    HG   SER  45           HG       SER  46   7.325   1.174   8.239
  367    H    ALA  46           HN       ALA  47   5.458   1.811   4.488
  368    HA   ALA  46           HA       ALA  47   4.547   4.240   3.072
  369    HB1  ALA  46           HB1      ALA  47   5.298   2.295   1.681
  370    HB2  ALA  46           HB2      ALA  47   3.644   2.813   1.381
  371    HB3  ALA  46           HB3      ALA  47   3.957   1.373   2.349
  372    H    TYR  47           HN       TYR  48   2.342   4.797   3.173
  373    HA   TYR  47           HA       TYR  48   0.698   3.050   4.880
  374    HB2  TYR  47           HB2      TYR  48   0.527   6.027   4.412
  375    HB3  TYR  47           HB1      TYR  48  -0.782   5.113   5.139
  376    HD1  TYR  47           HD2      TYR  48   2.839   5.882   5.545
  377    HD2  TYR  47           HD1      TYR  48  -0.799   4.747   7.436
  378    HE1  TYR  47           HE2      TYR  48   3.915   6.113   7.741
  379    HE2  TYR  47           HE1      TYR  48   0.269   4.971   9.638
  380    HH   TYR  47           HH       TYR  48   3.534   6.260   9.973
  381    H    VAL  48           HN       VAL  49  -0.338   1.724   3.613
  382    HA   VAL  48           HA       VAL  49  -1.344   2.669   1.025
  383    HB   VAL  48           HB       VAL  49  -1.123  -0.152   2.071
  384   HG11  VAL  48          HG11      VAL  49  -1.812   0.915  -0.635
  385   HG12  VAL  48          HG12      VAL  49  -2.843  -0.029   0.432
  386   HG13  VAL  48          HG13      VAL  49  -1.423  -0.768  -0.310
  387   HG21  VAL  48          HG21      VAL  49   1.058   0.976   1.774
  388   HG22  VAL  48          HG22      VAL  49   0.640   1.256   0.081
  389   HG23  VAL  48          HG23      VAL  49   0.825  -0.391   0.682
  390    H    LYS  49           HN       LYS  50  -3.343   3.420   1.094
  391    HA   LYS  49           HA       LYS  50  -5.199   2.540   3.118
  392    HB2  LYS  49           HB2      LYS  50  -5.523   4.444   0.790
  393    HB3  LYS  49           HB1      LYS  50  -6.756   4.143   2.012
  394    HG2  LYS  49           HG2      LYS  50  -5.164   4.953   3.731
  395    HG3  LYS  49           HG1      LYS  50  -4.042   5.367   2.432
  396    HD2  LYS  49           HD2      LYS  50  -5.919   6.763   1.453
  397    HD3  LYS  49           HD1      LYS  50  -6.761   6.520   2.982
  398    HE2  LYS  49           HE2      LYS  50  -3.978   7.655   2.804
  399    HE3  LYS  49           HE1      LYS  50  -5.430   8.654   2.814
  400    HZ1  LYS  49           HZ1      LYS  50  -4.775   6.705   4.959
  401    HZ2  LYS  49           HZ2      LYS  50  -5.986   7.896   4.971
  402    HZ3  LYS  49           HZ3      LYS  50  -4.357   8.346   5.022
  403    H    ILE  50           HN       ILE  51  -6.462   0.867   2.953
  404    HA   ILE  50           HA       ILE  51  -6.924  -0.303   0.299
  405    HB   ILE  50           HB       ILE  51  -7.302  -2.395   1.355
  406   HG12  ILE  50          HG12      ILE  51  -7.169  -1.051   4.051
  407   HG13  ILE  50          HG11      ILE  51  -8.682  -1.410   3.232
  408   HG21  ILE  50          HG21      ILE  51  -5.011  -2.137   1.276
  409   HG22  ILE  50          HG22      ILE  51  -5.280  -2.547   2.963
  410   HG23  ILE  50          HG23      ILE  51  -5.001  -0.871   2.495
  411   HD11  ILE  50          HD11      ILE  51  -8.170  -3.777   3.287
  412   HD12  ILE  50          HD12      ILE  51  -8.131  -3.086   4.910
  413   HD13  ILE  50          HD13      ILE  51  -6.623  -3.437   4.065
  414    H    ASP  51           HN       ASP  52  -8.974  -0.816  -0.383
  415    HA   ASP  51           HA       ASP  52 -11.209   0.329   1.077
  416    HB2  ASP  51           HB2      ASP  52 -11.168   0.574  -1.359
  417    HB3  ASP  51           HB1      ASP  52 -11.107  -1.173  -1.548
  418    H    SER  52           HN       SER  53 -11.927  -0.807   2.733
  419    HA   SER  52           HA       SER  53 -11.299  -3.519   3.165
  420    HB2  SER  52           HB2      SER  53 -13.425  -1.870   4.549
  421    HB3  SER  52           HB1      SER  53 -12.651  -3.328   5.172
  422    HG   SER  52           HG       SER  53 -11.524  -0.763   4.756
  423    H    LYS  53           HN       LYS  54 -13.690  -2.197   1.201
  424    HA   LYS  53           HA       LYS  54 -15.678  -4.248   1.657
  425    HB2  LYS  53           HB2      LYS  54 -15.516  -2.075  -0.438
  426    HB3  LYS  53           HB1      LYS  54 -16.892  -3.140  -0.196
  427    HG2  LYS  53           HG2      LYS  54 -15.829  -1.277   1.913
  428    HG3  LYS  53           HG1      LYS  54 -17.124  -0.860   0.792
  429    HD2  LYS  53           HD2      LYS  54 -17.203  -3.212   2.679
  430    HD3  LYS  53           HD1      LYS  54 -17.915  -1.635   3.024
  431    HE2  LYS  53           HE2      LYS  54 -19.333  -1.863   1.025
  432    HE3  LYS  53           HE1      LYS  54 -18.650  -3.462   0.739
  433    HZ1  LYS  53           HZ1      LYS  54 -20.210  -2.641   3.130
  434    HZ2  LYS  53           HZ2      LYS  54 -19.535  -4.170   2.879
  435    HZ3  LYS  53           HZ3      LYS  54 -20.767  -3.618   1.866
  436    H    VAL  54           HN       VAL  55 -13.081  -3.593  -0.603
  437    HA   VAL  54           HA       VAL  55 -13.922  -5.904  -2.215
  438    HB   VAL  54           HB       VAL  55 -13.584  -3.834  -3.469
  439   HG11  VAL  54          HG11      VAL  55 -11.889  -2.831  -2.012
  440   HG12  VAL  54          HG12      VAL  55 -11.415  -2.813  -3.709
  441   HG13  VAL  54          HG13      VAL  55 -10.708  -3.996  -2.607
  442   HG21  VAL  54          HG21      VAL  55 -13.169  -5.931  -4.610
  443   HG22  VAL  54          HG22      VAL  55 -11.497  -5.927  -4.052
  444   HG23  VAL  54          HG23      VAL  55 -12.051  -4.694  -5.185
  445    H    THR  55           HN       THR  56 -11.311  -4.755  -0.170
  446    HA   THR  55           HA       THR  56  -9.882  -7.264  -0.754
  447    HB   THR  55           HB       THR  56  -8.851  -5.153  -1.784
  448    HG1  THR  55           HG1      THR  56  -7.015  -6.228  -1.698
  449   HG21  THR  55          HG21      THR  56  -9.168  -3.741   0.269
  450   HG22  THR  55          HG22      THR  56  -7.527  -3.735  -0.374
  451   HG23  THR  55          HG23      THR  56  -7.913  -4.702   1.049
  452    H    ASN  56           HN       ASN  57  -8.051  -7.532   0.945
  453    HA   ASN  56           HA       ASN  57  -9.028  -6.843   3.631
  454    HB2  ASN  56           HB2      ASN  57  -9.632  -9.157   3.307
  455    HB3  ASN  56           HB1      ASN  57  -8.042  -9.524   2.651
  456   HD21  ASN  56          HD21      ASN  57  -9.884  -8.939   5.521
  457   HD22  ASN  56          HD22      ASN  57  -8.668  -9.446   6.646
  458    H    ARG  57           HN       ARG  58  -7.425  -6.365   5.112
  459    HA   ARG  57           HA       ARG  58  -5.189  -5.090   4.262
  460    HB2  ARG  57           HB2      ARG  58  -5.905  -4.725   6.495
  461    HB3  ARG  57           HB1      ARG  58  -5.702  -6.422   6.915
  462    HG2  ARG  57           HG2      ARG  58  -3.308  -6.226   6.740
  463    HG3  ARG  57           HG1      ARG  58  -3.453  -4.567   6.170
  464    HD2  ARG  57           HD2      ARG  58  -2.830  -4.506   8.463
  465    HD3  ARG  57           HD1      ARG  58  -4.510  -3.985   8.346
  466    HE   ARG  57           HE       ARG  58  -4.577  -6.702   8.844
  467   HH11  ARG  57          HH11      ARG  58  -3.404  -3.823  10.457
  468   HH12  ARG  57          HH12      ARG  58  -3.564  -4.491  12.049
  469   HH21  ARG  57          HH21      ARG  58  -4.795  -7.585  10.941
  470   HH22  ARG  57          HH22      ARG  58  -4.364  -6.633  12.323
  471    H    PHE  58           HN       PHE  59  -5.206  -8.455   5.499
  472    HA   PHE  58           HA       PHE  59  -2.380  -8.700   5.275
  473    HB2  PHE  58           HB2      PHE  59  -3.983 -10.073   6.747
  474    HB3  PHE  58           HB1      PHE  59  -4.316 -11.015   5.302
  475    HD1  PHE  58           HD1      PHE  59  -1.969 -11.689   4.038
  476    HD2  PHE  58           HD2      PHE  59  -2.515 -11.025   8.203
  477    HE1  PHE  58           HE1      PHE  59  -0.018 -13.107   4.515
  478    HE2  PHE  58           HE2      PHE  59  -0.560 -12.437   8.687
  479    HZ   PHE  58           HZ       PHE  59   0.692 -13.479   6.844
  480    H    GLU  59           HN       GLU  60  -5.082  -9.685   3.224
  481    HA   GLU  59           HA       GLU  60  -3.559 -11.171   1.375
  482    HB2  GLU  59           HB2      GLU  60  -6.216  -9.776   1.030
  483    HB3  GLU  59           HB1      GLU  60  -5.540 -10.948  -0.096
  484    HG2  GLU  59           HG2      GLU  60  -6.285 -11.465   2.773
  485    HG3  GLU  59           HG1      GLU  60  -7.180 -11.990   1.348
  486    H    VAL  60           HN       VAL  61  -4.688  -7.803   1.329
  487    HA   VAL  60           HA       VAL  61  -3.480  -7.243  -1.186
  488    HB   VAL  60           HB       VAL  61  -5.384  -5.941  -0.218
  489   HG11  VAL  60          HG11      VAL  61  -4.577  -5.720   2.068
  490   HG12  VAL  60          HG12      VAL  61  -4.944  -4.149   1.358
  491   HG13  VAL  60          HG13      VAL  61  -3.268  -4.677   1.511
  492   HG21  VAL  60          HG21      VAL  61  -2.921  -4.517  -1.147
  493   HG22  VAL  60          HG22      VAL  61  -4.469  -3.699  -0.930
  494   HG23  VAL  60          HG23      VAL  61  -4.323  -5.017  -2.094
  495    H    GLU  61           HN       GLU  62  -2.509  -6.774   2.179
  496    HA   GLU  61           HA       GLU  62  -0.043  -5.531   1.913
  497    HB2  GLU  61           HB2      GLU  62  -1.376  -6.335   4.000
  498    HB3  GLU  61           HB1      GLU  62  -0.501  -7.835   3.789
  499    HG2  GLU  61           HG2      GLU  62   0.783  -5.156   4.215
  500    HG3  GLU  61           HG1      GLU  62   0.451  -6.324   5.481
  501    H    GLN  62           HN       GLN  63  -0.871  -8.959   1.717
  502    HA   GLN  62           HA       GLN  63   1.630 -10.067   1.299
  503    HB2  GLN  62           HB2      GLN  63  -0.540 -11.287   1.654
  504    HB3  GLN  62           HB1      GLN  63  -0.942 -10.946  -0.021
  505    HG2  GLN  62           HG2      GLN  63   1.028 -12.203  -0.740
  506    HG3  GLN  62           HG1      GLN  63   1.392 -12.576   0.944
  507   HE21  GLN  62          HE21      GLN  63  -1.496 -12.845   1.569
  508   HE22  GLN  62          HE22      GLN  63  -1.956 -14.382   0.929
  509    H    ALA  63           HN       ALA  64  -0.691  -8.878  -1.115
  510    HA   ALA  63           HA       ALA  64   0.970  -9.301  -3.356
  511    HB1  ALA  63           HB1      ALA  64  -1.244  -7.282  -2.999
  512    HB2  ALA  63           HB2      ALA  64  -1.439  -8.952  -3.541
  513    HB3  ALA  63           HB3      ALA  64  -0.550  -7.802  -4.537
  514    H    ILE  64           HN       ILE  65   0.592  -6.560  -1.162
  515    HA   ILE  64           HA       ILE  65   2.129  -4.713  -2.603
  516    HB   ILE  64           HB       ILE  65   1.178  -4.896   0.196
  517   HG12  ILE  64          HG12      ILE  65   1.018  -2.287  -0.851
  518   HG13  ILE  64          HG11      ILE  65   0.685  -3.372  -2.197
  519   HG21  ILE  64          HG21      ILE  65   3.504  -4.314   0.579
  520   HG22  ILE  64          HG22      ILE  65   2.456  -2.935   0.909
  521   HG23  ILE  64          HG23      ILE  65   3.383  -2.998  -0.589
  522   HD11  ILE  64          HD11      ILE  65  -1.059  -4.445  -0.905
  523   HD12  ILE  64          HD12      ILE  65  -1.350  -2.715  -1.082
  524   HD13  ILE  64          HD13      ILE  65  -0.739  -3.357   0.444
  525    H    ARG  65           HN       ARG  66   3.151  -6.916   0.051
  526    HA   ARG  65           HA       ARG  66   5.840  -6.067  -0.044
  527    HB2  ARG  65           HB2      ARG  66   6.314  -8.379   0.972
  528    HB3  ARG  65           HB1      ARG  66   5.393  -7.213   1.907
  529    HG2  ARG  65           HG2      ARG  66   3.947  -8.861   2.237
  530    HG3  ARG  65           HG1      ARG  66   3.466  -8.645   0.553
  531    HD2  ARG  65           HD2      ARG  66   4.802 -10.412  -0.183
  532    HD3  ARG  65           HD1      ARG  66   5.786 -10.396   1.283
  533    HE   ARG  65           HE       ARG  66   3.170 -10.986   2.036
  534   HH11  ARG  65          HH11      ARG  66   5.699 -12.444   0.109
  535   HH12  ARG  65          HH12      ARG  66   5.251 -14.067   0.521
  536   HH21  ARG  65          HH21      ARG  66   2.586 -13.115   2.594
  537   HH22  ARG  65          HH22      ARG  66   3.477 -14.452   1.940
  538    H    GLN  66           HN       GLN  67   4.127  -8.559  -1.810
  539    HA   GLN  66           HA       GLN  67   6.344  -9.723  -3.081
  540    HB2  GLN  66           HB2      GLN  67   3.481  -9.427  -3.961
  541    HB3  GLN  66           HB1      GLN  67   4.672 -10.382  -4.840
  542    HG2  GLN  66           HG2      GLN  67   5.001 -11.797  -2.896
  543    HG3  GLN  66           HG1      GLN  67   3.852 -10.829  -1.985
  544   HE21  GLN  66          HE21      GLN  67   4.249 -13.140  -4.547
  545   HE22  GLN  66          HE22      GLN  67   2.588 -13.602  -4.668
  546    H    ALA  67           HN       ALA  68   4.597  -6.776  -3.689
  547    HA   ALA  67           HA       ALA  68   5.664  -6.251  -6.274
  548    HB1  ALA  67           HB1      ALA  68   4.388  -4.533  -4.174
  549    HB2  ALA  67           HB2      ALA  68   3.698  -5.099  -5.693
  550    HB3  ALA  67           HB3      ALA  68   4.967  -3.873  -5.702
  551    H    LEU  68           HN       LEU  69   6.885  -5.927  -3.057
  552    HA   LEU  68           HA       LEU  69   9.169  -4.349  -3.974
  553    HB2  LEU  68           HB2      LEU  69   8.280  -5.291  -1.259
  554    HB3  LEU  68           HB1      LEU  69   9.875  -4.634  -1.516
  555    HG   LEU  68           HG       LEU  69   8.814  -2.767  -0.791
  556   HD11  LEU  68          HD11      LEU  69   9.650  -2.357  -3.077
  557   HD12  LEU  68          HD12      LEU  69   8.331  -1.290  -2.601
  558   HD13  LEU  68          HD13      LEU  69   8.021  -2.645  -3.687
  559   HD21  LEU  68          HD21      LEU  69   6.681  -3.882  -0.477
  560   HD22  LEU  68          HD22      LEU  69   6.299  -3.648  -2.183
  561   HD23  LEU  68          HD23      LEU  69   6.477  -2.252  -1.117
  562    H    GLU  69           HN       GLU  70   8.290  -7.549  -2.913
  563    HA   GLU  69           HA       GLU  70  11.023  -8.519  -3.060
  564    HB2  GLU  69           HB2      GLU  70   8.412  -9.911  -2.402
  565    HB3  GLU  69           HB1      GLU  70  10.001 -10.671  -2.334
  566    HG2  GLU  69           HG2      GLU  70   9.241  -8.254  -0.722
  567    HG3  GLU  69           HG1      GLU  70   9.059  -9.907  -0.144
  Start of MODEL   18
    1    H1   MET   0           HT1      MET   1  -8.516  14.876   2.854
    2    H2   MET   0           HT2      MET   1  -9.581  13.840   2.041
    3    H3   MET   0           HT3      MET   1  -9.875  15.507   2.071
    4    HA   MET   0           HA       MET   1  -7.872  15.919   0.802
    5    HB2  MET   0           HB2      MET   1  -6.619  13.949   1.566
    6    HB3  MET   0           HB1      MET   1  -7.728  12.900   0.697
    7    HG2  MET   0           HG2      MET   1  -5.648  13.184  -0.517
    8    HG3  MET   0           HG1      MET   1  -7.007  13.854  -1.417
    9    HE1  MET   0           HE1      MET   1  -3.851  14.643   0.767
   10    HE2  MET   0           HE2      MET   1  -5.127  15.445   1.681
   11    HE3  MET   0           HE3      MET   1  -3.898  16.402   0.858
   12    H    GLY   1           HN       GLY   2 -10.074  13.175   0.241
   13    HA2  GLY   1           HA2      GLY   2 -11.284  14.637  -1.970
   14    HA3  GLY   1           HA1      GLY   2 -10.484  13.130  -2.396
   15    H    LYS   2           HN       LYS   3 -12.305  13.932   0.506
   16    HA   LYS   2           HA       LYS   3 -14.103  13.006   1.516
   17    HB2  LYS   2           HB2      LYS   3 -14.917  12.276  -1.301
   18    HB3  LYS   2           HB1      LYS   3 -15.959  12.175   0.109
   19    HG2  LYS   2           HG2      LYS   3 -15.703  14.614   0.415
   20    HG3  LYS   2           HG1      LYS   3 -14.770  14.668  -1.079
   21    HD2  LYS   2           HD2      LYS   3 -17.634  13.745  -0.820
   22    HD3  LYS   2           HD1      LYS   3 -17.111  15.310  -1.437
   23    HE2  LYS   2           HE2      LYS   3 -17.437  14.160  -3.395
   24    HE3  LYS   2           HE1      LYS   3 -15.728  13.853  -3.110
   25    HZ1  LYS   2           HZ1      LYS   3 -16.328  11.706  -2.141
   26    HZ2  LYS   2           HZ2      LYS   3 -16.868  11.834  -3.735
   27    HZ3  LYS   2           HZ3      LYS   3 -17.962  12.005  -2.458
   28    H    GLU   3           HN       GLU   4 -12.058  11.532   1.956
   29    HA   GLU   3           HA       GLU   4 -12.037   8.895   1.015
   30    HB2  GLU   3           HB2      GLU   4 -11.182   9.880   3.746
   31    HB3  GLU   3           HB1      GLU   4 -10.712   8.360   3.002
   32    HG2  GLU   3           HG2      GLU   4  -8.862   9.603   2.560
   33    HG3  GLU   3           HG1      GLU   4  -9.804   9.942   1.112
   34    HA   PRO   4           HA       PRO   5 -15.758   7.494   3.044
   35    HB2  PRO   4           HB2      PRO   5 -15.734   4.983   2.053
   36    HB3  PRO   4           HB1      PRO   5 -16.191   6.378   1.078
   37    HG2  PRO   4           HG2      PRO   5 -13.648   4.843   1.124
   38    HG3  PRO   4           HG1      PRO   5 -14.493   5.582  -0.246
   39    HD2  PRO   4           HD2      PRO   5 -12.318   6.663   1.049
   40    HD3  PRO   4           HD1      PRO   5 -13.466   7.586   0.068
   41    HA   PRO   5           HA       PRO   6 -14.217   5.431   6.636
   42    HB2  PRO   5           HB2      PRO   6 -16.781   4.147   7.114
   43    HB3  PRO   5           HB1      PRO   6 -16.039   5.498   7.973
   44    HG2  PRO   5           HG2      PRO   6 -18.242   5.768   6.407
   45    HG3  PRO   5           HG1      PRO   6 -17.065   7.068   6.657
   46    HD2  PRO   5           HD2      PRO   6 -17.367   5.203   4.335
   47    HD3  PRO   5           HD1      PRO   6 -17.010   6.943   4.346
   48    H    TYR   6           HN       TYR   7 -13.881   3.950   4.150
   49    HA   TYR   6           HA       TYR   7 -13.936   1.232   5.252
   50    HB2  TYR   6           HB2      TYR   7 -14.569   2.053   2.426
   51    HB3  TYR   6           HB1      TYR   7 -14.289   0.389   2.924
   52    HD1  TYR   6           HD1      TYR   7 -15.866  -0.697   4.509
   53    HD2  TYR   6           HD2      TYR   7 -16.660   3.125   2.823
   54    HE1  TYR   6           HE1      TYR   7 -18.230  -0.916   5.140
   55    HE2  TYR   6           HE2      TYR   7 -19.028   2.914   3.445
   56    HH   TYR   6           HH       TYR   7 -20.159   0.580   5.600
   57    H    VAL   7           HN       VAL   8 -12.076   3.745   4.247
   58    HA   VAL   7           HA       VAL   8  -9.966   2.254   3.020
   59    HB   VAL   7           HB       VAL   8  -8.631   4.334   3.344
   60   HG11  VAL   7          HG11      VAL   8  -9.844   4.009   1.298
   61   HG12  VAL   7          HG12      VAL   8  -9.940   5.706   1.763
   62   HG13  VAL   7          HG13      VAL   8 -11.319   4.638   2.028
   63   HG21  VAL   7          HG21      VAL   8 -11.191   5.435   4.488
   64   HG22  VAL   7          HG22      VAL   8  -9.750   6.373   4.093
   65   HG23  VAL   7          HG23      VAL   8  -9.691   5.163   5.375
   66    H    SER   8           HN       SER   9  -8.387   1.187   3.982
   67    HA   SER   8           HA       SER   9  -7.862   1.734   6.834
   68    HB2  SER   8           HB2      SER   9  -8.776  -0.553   6.401
   69    HB3  SER   8           HB1      SER   9  -7.389  -0.875   5.361
   70    HG   SER   8           HG       SER   9  -7.519  -0.623   8.145
   71    H    SER   9           HN       SER  10  -5.945   2.628   7.212
   72    HA   SER   9           HA       SER  10  -4.022   2.849   5.061
   73    HB2  SER   9           HB2      SER  10  -3.845   3.927   7.886
   74    HB3  SER   9           HB1      SER  10  -2.885   4.436   6.495
   75    HG   SER   9           HG       SER  10  -5.687   4.745   6.857
   76    H    LEU  10           HN       LEU  11  -2.603   1.284   4.730
   77    HA   LEU  10           HA       LEU  11  -1.761  -0.404   6.976
   78    HB2  LEU  10           HB2      LEU  11  -1.073  -0.846   4.087
   79    HB3  LEU  10           HB1      LEU  11  -1.124  -2.025   5.378
   80    HG   LEU  10           HG       LEU  11  -3.423  -0.795   3.882
   81   HD11  LEU  10          HD11      LEU  11  -2.556  -3.637   4.370
   82   HD12  LEU  10          HD12      LEU  11  -2.367  -2.724   2.873
   83   HD13  LEU  10          HD13      LEU  11  -3.979  -3.136   3.457
   84   HD21  LEU  10          HD21      LEU  11  -3.552  -2.387   6.437
   85   HD22  LEU  10          HD22      LEU  11  -4.927  -2.032   5.397
   86   HD23  LEU  10          HD23      LEU  11  -4.069  -0.719   6.204
   87    H    ARG  11           HN       ARG  12   0.175  -0.050   7.899
   88    HA   ARG  11           HA       ARG  12   2.146   1.606   6.568
   89    HB2  ARG  11           HB2      ARG  12   1.806   1.871   8.987
   90    HB3  ARG  11           HB1      ARG  12   2.264   0.194   9.244
   91    HG2  ARG  11           HG2      ARG  12   4.490   0.739   8.254
   92    HG3  ARG  11           HG1      ARG  12   4.012   2.438   8.300
   93    HD2  ARG  11           HD2      ARG  12   3.976   0.638  10.707
   94    HD3  ARG  11           HD1      ARG  12   5.357   1.629  10.262
   95    HE   ARG  11           HE       ARG  12   3.554   3.515  10.381
   96   HH11  ARG  11          HH11      ARG  12   3.890   0.757  12.514
   97   HH12  ARG  11          HH12      ARG  12   3.225   1.579  13.887
   98   HH21  ARG  11          HH21      ARG  12   2.687   4.597  12.176
   99   HH22  ARG  11          HH22      ARG  12   2.540   3.772  13.697
  100    H    ILE  12           HN       ILE  13   3.163   0.603   4.942
  101    HA   ILE  12           HA       ILE  13   3.879  -2.211   5.156
  102    HB   ILE  12           HB       ILE  13   4.689  -0.510   2.837
  103   HG12  ILE  12          HG12      ILE  13   2.361   0.133   3.187
  104   HG13  ILE  12          HG11      ILE  13   2.511  -0.875   1.756
  105   HG21  ILE  12          HG21      ILE  13   3.708  -3.337   3.094
  106   HG22  ILE  12          HG22      ILE  13   5.394  -2.834   2.975
  107   HG23  ILE  12          HG23      ILE  13   4.300  -2.582   1.614
  108   HD11  ILE  12          HD11      ILE  13   1.717  -2.810   3.084
  109   HD12  ILE  12          HD12      ILE  13   0.542  -1.502   2.980
  110   HD13  ILE  12          HD13      ILE  13   1.481  -1.726   4.455
  111    H    GLU  13           HN       GLU  14   5.852  -2.849   5.801
  112    HA   GLU  13           HA       GLU  14   7.961  -0.945   6.202
  113    HB2  GLU  13           HB2      GLU  14   7.928  -3.960   6.416
  114    HB3  GLU  13           HB1      GLU  14   9.297  -2.949   6.858
  115    HG2  GLU  13           HG2      GLU  14   6.570  -2.919   8.122
  116    HG3  GLU  13           HG1      GLU  14   8.048  -3.567   8.824
  117    H    ILE  14           HN       ILE  15   9.119  -0.173   4.605
  118    HA   ILE  14           HA       ILE  15   9.176  -1.440   2.027
  119    HB   ILE  14           HB       ILE  15  10.542   1.051   3.055
  120   HG12  ILE  14          HG12      ILE  15   8.090   0.815   1.314
  121   HG13  ILE  14          HG11      ILE  15   8.010   0.968   3.062
  122   HG21  ILE  14          HG21      ILE  15  11.503  -0.116   0.975
  123   HG22  ILE  14          HG22      ILE  15  11.143   1.610   0.878
  124   HG23  ILE  14          HG23      ILE  15  10.033   0.436   0.172
  125   HD11  ILE  14          HD11      ILE  15   9.150   2.969   1.138
  126   HD12  ILE  14          HD12      ILE  15   9.196   3.120   2.888
  127   HD13  ILE  14          HD13      ILE  15   7.648   3.106   2.042
  128    HA   PRO  15           HA       PRO  16  12.976  -3.743   2.436
  129    HB2  PRO  15           HB2      PRO  16  13.541  -2.962  -0.337
  130    HB3  PRO  15           HB1      PRO  16  13.305  -4.569   0.341
  131    HG2  PRO  15           HG2      PRO  16  11.496  -3.297  -1.266
  132    HG3  PRO  15           HG1      PRO  16  11.074  -4.561  -0.112
  133    HD2  PRO  15           HD2      PRO  16  10.598  -1.666   0.014
  134    HD3  PRO  15           HD1      PRO  16   9.764  -2.976   0.851
  135    H    ALA  16           HN       ALA  17  15.132  -3.258   2.780
  136    HA   ALA  16           HA       ALA  17  15.733  -0.531   3.271
  137    HB1  ALA  16           HB1      ALA  17  17.594  -2.898   3.264
  138    HB2  ALA  16           HB2      ALA  17  16.632  -2.354   4.636
  139    HB3  ALA  16           HB3      ALA  17  17.913  -1.325   3.992
  140    H    ASP  17           HN       ASP  18  16.276  -2.631   0.578
  141    HA   ASP  17           HA       ASP  18  18.229  -0.876  -0.643
  142    HB2  ASP  17           HB2      ASP  18  18.348  -3.307  -1.023
  143    HB3  ASP  17           HB1      ASP  18  16.764  -3.262  -1.789
  144    H    ILE  18           HN       ILE  19  14.820  -1.646  -0.969
  145    HA   ILE  18           HA       ILE  19  14.410  -0.097  -3.320
  146    HB   ILE  18           HB       ILE  19  12.566  -1.432  -1.369
  147   HG12  ILE  18          HG12      ILE  19  11.836  -2.680  -3.324
  148   HG13  ILE  18          HG11      ILE  19  12.792  -1.653  -4.378
  149   HG21  ILE  18          HG21      ILE  19  11.468   0.673  -1.822
  150   HG22  ILE  18          HG22      ILE  19  10.628  -0.636  -2.655
  151   HG23  ILE  18          HG23      ILE  19  11.691   0.445  -3.558
  152   HD11  ILE  18          HD11      ILE  19  13.995  -3.387  -2.251
  153   HD12  ILE  18          HD12      ILE  19  14.817  -2.571  -3.578
  154   HD13  ILE  18          HD13      ILE  19  13.732  -3.923  -3.909
  155    H    ALA  19           HN       ALA  20  13.869   1.998  -3.545
  156    HA   ALA  19           HA       ALA  20  14.271   3.707  -1.258
  157    HB1  ALA  19           HB1      ALA  20  14.037   5.534  -2.960
  158    HB2  ALA  19           HB2      ALA  20  13.823   4.276  -4.179
  159    HB3  ALA  19           HB3      ALA  20  15.334   4.378  -3.274
  160    H    ALA  20           HN       ALA  21  12.799   4.778  -0.146
  161    HA   ALA  20           HA       ALA  21   9.989   4.427  -0.607
  162    HB1  ALA  20           HB1      ALA  21   9.913   6.184   1.319
  163    HB2  ALA  20           HB2      ALA  21  11.657   5.920   1.393
  164    HB3  ALA  20           HB3      ALA  21  10.553   4.573   1.652
  165    H    ASN  21           HN       ASN  22   9.417   5.367  -2.556
  166    HA   ASN  21           HA       ASN  22   9.167   8.226  -2.573
  167    HB2  ASN  21           HB2      ASN  22  10.466   8.731  -4.509
  168    HB3  ASN  21           HB1      ASN  22  11.514   7.819  -3.436
  169   HD21  ASN  21          HD21      ASN  22  12.028   5.666  -3.975
  170   HD22  ASN  21          HD22      ASN  22  11.876   5.090  -5.596
  171    H    GLU  22           HN       GLU  23   8.528   8.642  -5.249
  172    HA   GLU  22           HA       GLU  23   5.881   7.693  -5.240
  173    HB2  GLU  22           HB2      GLU  23   6.704   9.787  -6.344
  174    HB3  GLU  22           HB1      GLU  23   7.374   8.785  -7.625
  175    HG2  GLU  22           HG2      GLU  23   5.203   8.019  -8.255
  176    HG3  GLU  22           HG1      GLU  23   4.467   8.809  -6.861
  177    H    ALA  23           HN       ALA  24   8.783   6.386  -6.739
  178    HA   ALA  23           HA       ALA  24   7.584   4.608  -8.556
  179    HB1  ALA  23           HB1      ALA  24   9.994   5.064  -8.517
  180    HB2  ALA  23           HB2      ALA  24   9.658   3.335  -8.439
  181    HB3  ALA  23           HB3      ALA  24  10.128   4.209  -6.981
  182    H    LEU  24           HN       LEU  25   8.296   4.334  -5.131
  183    HA   LEU  24           HA       LEU  25   7.407   1.695  -4.713
  184    HB2  LEU  24           HB2      LEU  25   8.696   3.075  -3.082
  185    HB3  LEU  24           HB1      LEU  25   7.266   4.055  -2.830
  186    HG   LEU  24           HG       LEU  25   6.356   1.499  -2.335
  187   HD11  LEU  24          HD11      LEU  25   9.055   1.794  -1.041
  188   HD12  LEU  24          HD12      LEU  25   8.721   0.735  -2.414
  189   HD13  LEU  24          HD13      LEU  25   7.920   0.453  -0.869
  190   HD21  LEU  24          HD21      LEU  25   5.775   3.477  -1.073
  191   HD22  LEU  24          HD22      LEU  25   7.411   3.571  -0.421
  192   HD23  LEU  24          HD23      LEU  25   6.366   2.219   0.009
  193    H    LYS  25           HN       LYS  26   5.808   4.826  -4.591
  194    HA   LYS  25           HA       LYS  26   3.274   4.035  -3.751
  195    HB2  LYS  25           HB2      LYS  26   3.953   6.356  -3.813
  196    HB3  LYS  25           HB1      LYS  26   4.119   6.302  -5.556
  197    HG2  LYS  25           HG2      LYS  26   1.661   5.819  -5.669
  198    HG3  LYS  25           HG1      LYS  26   1.595   6.167  -3.942
  199    HD2  LYS  25           HD2      LYS  26   2.542   8.401  -4.391
  200    HD3  LYS  25           HD1      LYS  26   2.498   8.045  -6.118
  201    HE2  LYS  25           HE2      LYS  26   0.099   7.815  -6.061
  202    HE3  LYS  25           HE1      LYS  26   0.082   8.021  -4.315
  203    HZ1  LYS  25           HZ1      LYS  26   0.913  10.072  -6.301
  204    HZ2  LYS  25           HZ2      LYS  26   0.929  10.278  -4.624
  205    HZ3  LYS  25           HZ3      LYS  26  -0.541  10.064  -5.434
  206    H    VAL  26           HN       VAL  27   4.486   4.475  -7.082
  207    HA   VAL  26           HA       VAL  27   1.991   3.892  -8.268
  208    HB   VAL  26           HB       VAL  27   3.153   3.774 -10.401
  209   HG11  VAL  26          HG11      VAL  27   4.162   5.984  -8.624
  210   HG12  VAL  26          HG12      VAL  27   2.615   5.953  -9.472
  211   HG13  VAL  26          HG13      VAL  27   4.121   6.024 -10.387
  212   HG21  VAL  26          HG21      VAL  27   5.132   2.554  -9.789
  213   HG22  VAL  26          HG22      VAL  27   5.674   3.876  -8.756
  214   HG23  VAL  26          HG23      VAL  27   5.600   4.096 -10.505
  215    H    ARG  27           HN       ARG  28   4.712   1.789  -7.418
  216    HA   ARG  27           HA       ARG  28   3.649  -0.435  -8.871
  217    HB2  ARG  27           HB2      ARG  28   5.288  -1.809  -7.781
  218    HB3  ARG  27           HB1      ARG  28   6.047  -0.288  -8.219
  219    HG2  ARG  27           HG2      ARG  28   6.049   0.461  -5.977
  220    HG3  ARG  27           HG1      ARG  28   4.982  -0.848  -5.470
  221    HD2  ARG  27           HD2      ARG  28   7.219  -1.367  -4.773
  222    HD3  ARG  27           HD1      ARG  28   6.761  -2.467  -6.073
  223    HE   ARG  27           HE       ARG  28   8.196  -0.115  -6.948
  224   HH11  ARG  27          HH11      ARG  28   8.431  -3.464  -5.946
  225   HH12  ARG  27          HH12      ARG  28  10.055  -3.651  -6.530
  226   HH21  ARG  27          HH21      ARG  28  10.336  -0.374  -7.727
  227   HH22  ARG  27          HH22      ARG  28  11.135  -1.905  -7.538
  228    H    LEU  28           HN       LEU  29   3.318   0.731  -5.559
  229    HA   LEU  28           HA       LEU  29   1.790  -1.524  -4.703
  230    HB2  LEU  28           HB2      LEU  29   2.018   1.219  -3.467
  231    HB3  LEU  28           HB1      LEU  29   1.364  -0.210  -2.690
  232    HG   LEU  28           HG       LEU  29   4.223   0.304  -3.468
  233   HD11  LEU  28          HD11      LEU  29   3.530   1.319  -1.381
  234   HD12  LEU  28          HD12      LEU  29   4.641  -0.017  -1.085
  235   HD13  LEU  28          HD13      LEU  29   2.911  -0.233  -0.815
  236   HD21  LEU  28          HD21      LEU  29   2.840  -2.230  -2.789
  237   HD22  LEU  28          HD22      LEU  29   4.514  -1.994  -2.305
  238   HD23  LEU  28          HD23      LEU  29   4.067  -1.922  -4.010
  239    H    LEU  29           HN       LEU  30   1.062   1.579  -6.145
  240    HA   LEU  29           HA       LEU  30  -1.700   1.672  -5.615
  241    HB2  LEU  29           HB2      LEU  30   0.101   2.906  -7.640
  242    HB3  LEU  29           HB1      LEU  30  -1.629   3.002  -7.886
  243    HG   LEU  29           HG       LEU  30  -0.167   4.022  -5.453
  244   HD11  LEU  29          HD11      LEU  30   0.411   5.475  -7.190
  245   HD12  LEU  29          HD12      LEU  30  -0.979   6.241  -6.419
  246   HD13  LEU  29          HD13      LEU  30  -1.185   5.363  -7.932
  247   HD21  LEU  29          HD21      LEU  30  -2.145   4.137  -4.473
  248   HD22  LEU  29          HD22      LEU  30  -2.901   3.384  -5.875
  249   HD23  LEU  29          HD23      LEU  30  -2.749   5.138  -5.789
  250    H    GLU  30           HN       GLU  31   0.054  -0.463  -7.594
  251    HA   GLU  30           HA       GLU  31  -2.243  -1.043  -9.294
  252    HB2  GLU  30           HB2      GLU  31   0.563  -2.152  -9.286
  253    HB3  GLU  30           HB1      GLU  31  -0.681  -2.550 -10.464
  254    HG2  GLU  30           HG2      GLU  31   0.349   0.228  -9.980
  255    HG3  GLU  30           HG1      GLU  31   0.971  -0.859 -11.212
  256    H    THR  31           HN       THR  32  -1.825  -1.754  -6.269
  257    HA   THR  31           HA       THR  32  -1.959  -4.662  -6.430
  258    HB   THR  31           HB       THR  32  -2.149  -2.908  -3.973
  259    HG1  THR  31           HG1      THR  32  -0.153  -2.476  -4.677
  260   HG21  THR  31          HG21      THR  32  -2.822  -4.993  -3.256
  261   HG22  THR  31          HG22      THR  32  -1.078  -5.103  -3.025
  262   HG23  THR  31          HG23      THR  32  -1.828  -5.838  -4.441
  263    H    GLU  32           HN       GLU  33  -3.778  -5.865  -5.847
  264    HA   GLU  32           HA       GLU  33  -6.244  -4.759  -6.642
  265    HB2  GLU  32           HB2      GLU  33  -5.660  -7.132  -6.909
  266    HB3  GLU  32           HB1      GLU  33  -5.686  -7.335  -5.163
  267    HG2  GLU  32           HG2      GLU  33  -8.069  -6.786  -5.139
  268    HG3  GLU  32           HG1      GLU  33  -8.038  -6.595  -6.892
  269    H    GLY  33           HN       GLY  34  -7.354  -3.312  -5.498
  270    HA2  GLY  33           HA2      GLY  34  -8.950  -2.967  -3.753
  271    HA3  GLY  33           HA1      GLY  34  -7.969  -3.968  -2.700
  272    H    VAL  34           HN       VAL  35  -6.132  -1.760  -4.509
  273    HA   VAL  34           HA       VAL  35  -5.575  -0.187  -2.146
  274    HB   VAL  34           HB       VAL  35  -3.908   0.955  -3.502
  275   HG11  VAL  34          HG11      VAL  35  -3.217  -1.109  -2.531
  276   HG12  VAL  34          HG12      VAL  35  -2.521  -0.982  -4.140
  277   HG13  VAL  34          HG13      VAL  35  -3.918  -2.023  -3.861
  278   HG21  VAL  34          HG21      VAL  35  -3.551   0.381  -5.846
  279   HG22  VAL  34          HG22      VAL  35  -5.148   1.087  -5.594
  280   HG23  VAL  34          HG23      VAL  35  -4.978  -0.655  -5.808
  281    H    LYS  35           HN       LYS  36  -5.964   2.005  -1.896
  282    HA   LYS  35           HA       LYS  36  -7.713   3.265  -3.903
  283    HB2  LYS  35           HB2      LYS  36  -7.616   3.578  -0.909
  284    HB3  LYS  35           HB1      LYS  36  -8.390   4.769  -1.942
  285    HG2  LYS  35           HG2      LYS  36  -9.136   1.860  -1.899
  286    HG3  LYS  35           HG1      LYS  36  -9.942   3.102  -0.945
  287    HD2  LYS  35           HD2      LYS  36 -10.575   4.270  -2.950
  288    HD3  LYS  35           HD1      LYS  36  -9.680   3.122  -3.937
  289    HE2  LYS  35           HE2      LYS  36 -11.173   1.344  -3.291
  290    HE3  LYS  35           HE1      LYS  36 -12.016   2.416  -2.174
  291    HZ1  LYS  35           HZ1      LYS  36 -12.725   3.749  -4.063
  292    HZ2  LYS  35           HZ2      LYS  36 -13.238   2.148  -4.234
  293    HZ3  LYS  35           HZ3      LYS  36 -11.918   2.711  -5.128
  294    H    GLU  36           HN       GLU  37  -4.967   3.645  -1.765
  295    HA   GLU  36           HA       GLU  37  -3.765   5.646  -3.374
  296    HB2  GLU  36           HB2      GLU  37  -5.364   7.135  -2.433
  297    HB3  GLU  36           HB1      GLU  37  -5.137   6.478  -0.821
  298    HG2  GLU  36           HG2      GLU  37  -3.020   7.491  -0.613
  299    HG3  GLU  36           HG1      GLU  37  -2.983   7.930  -2.321
  300    H    VAL  37           HN       VAL  38  -1.609   5.894  -2.870
  301    HA   VAL  37           HA       VAL  38  -0.652   4.344  -0.554
  302    HB   VAL  37           HB       VAL  38   0.695   4.616  -3.243
  303   HG11  VAL  37          HG11      VAL  38   2.299   4.580  -1.398
  304   HG12  VAL  37          HG12      VAL  38   2.374   3.088  -2.336
  305   HG13  VAL  37          HG13      VAL  38   1.557   3.109  -0.776
  306   HG21  VAL  37          HG21      VAL  38  -0.321   2.111  -1.936
  307   HG22  VAL  37          HG22      VAL  38   0.216   2.332  -3.599
  308   HG23  VAL  37          HG23      VAL  38  -1.295   3.059  -3.055
  309    H    LEU  38           HN       LEU  39   0.289   5.498   0.907
  310    HA   LEU  38           HA       LEU  39   1.522   8.074   0.252
  311    HB2  LEU  38           HB2      LEU  39   0.451   6.821   2.730
  312    HB3  LEU  38           HB1      LEU  39   1.659   8.080   2.864
  313    HG   LEU  38           HG       LEU  39   0.136   9.588   1.582
  314   HD11  LEU  38          HD11      LEU  39  -1.830   7.339   1.992
  315   HD12  LEU  38          HD12      LEU  39  -1.218   7.921   0.444
  316   HD13  LEU  38          HD13      LEU  39  -2.233   8.965   1.441
  317   HD21  LEU  38          HD21      LEU  39   0.346   9.188   4.137
  318   HD22  LEU  38          HD22      LEU  39  -1.306   8.583   3.982
  319   HD23  LEU  38          HD23      LEU  39  -0.921  10.239   3.504
  320    H    ILE  39           HN       ILE  40   3.672   8.449   0.552
  321    HA   ILE  39           HA       ILE  40   5.308   6.187   1.453
  322    HB   ILE  39           HB       ILE  40   5.880   8.580  -0.248
  323   HG12  ILE  39          HG12      ILE  40   7.053   6.945  -1.625
  324   HG13  ILE  39          HG11      ILE  40   6.814   5.707  -0.402
  325   HG21  ILE  39          HG21      ILE  40   7.824   7.288   1.617
  326   HG22  ILE  39          HG22      ILE  40   7.612   8.997   1.214
  327   HG23  ILE  39          HG23      ILE  40   8.373   7.906   0.054
  328   HD11  ILE  39          HD11      ILE  40   4.496   5.621  -0.828
  329   HD12  ILE  39          HD12      ILE  40   5.308   5.589  -2.393
  330   HD13  ILE  39          HD13      ILE  40   4.554   7.077  -1.820
  331    H    ALA  40           HN       ALA  41   6.358   6.222   3.334
  332    HA   ALA  40           HA       ALA  41   6.601   8.783   4.769
  333    HB1  ALA  40           HB1      ALA  41   6.174   6.073   6.009
  334    HB2  ALA  40           HB2      ALA  41   4.911   7.285   5.794
  335    HB3  ALA  40           HB3      ALA  41   6.280   7.611   6.858
  336    H    GLU  41           HN       GLU  42   8.693   8.961   3.775
  337    HA   GLU  41           HA       GLU  42  10.684   6.989   3.891
  338    HB2  GLU  41           HB2      GLU  42  10.843   9.974   3.670
  339    HB3  GLU  41           HB1      GLU  42  12.254   8.941   3.552
  340    HG2  GLU  41           HG2      GLU  42  11.334   7.877   1.599
  341    HG3  GLU  41           HG1      GLU  42   9.845   8.806   1.762
  342    H    GLU  42           HN       GLU  43   9.664   9.387   6.225
  343    HA   GLU  42           HA       GLU  43  11.905   9.357   7.923
  344    HB2  GLU  42           HB2      GLU  43  10.068  11.011   8.053
  345    HB3  GLU  42           HB1      GLU  43   8.995   9.755   8.655
  346    HG2  GLU  42           HG2      GLU  43  10.474   9.498  10.617
  347    HG3  GLU  42           HG1      GLU  43  11.443  10.841  10.014
  348    H    GLU  43           HN       GLU  44   9.356   7.088   7.418
  349    HA   GLU  43           HA       GLU  44  10.235   5.504   9.742
  350    HB2  GLU  43           HB2      GLU  44   7.666   5.297   8.157
  351    HB3  GLU  43           HB1      GLU  44   8.063   4.391   9.610
  352    HG2  GLU  43           HG2      GLU  44   8.096   6.439  10.902
  353    HG3  GLU  43           HG1      GLU  44   7.765   7.377   9.447
  354    H    HIS  44           HN       HIS  45  10.780   5.825   6.586
  355    HA   HIS  44           HA       HIS  45  11.179   4.572   4.742
  356    HB2  HIS  44           HB2      HIS  45  13.044   3.905   6.373
  357    HB3  HIS  44           HB1      HIS  45  12.132   2.423   6.635
  358    HD1  HIS  44           HD1      HIS  45  13.943   4.295   3.891
  359    HD2  HIS  44           HD2      HIS  45  12.470   0.492   4.699
  360    HE1  HIS  44           HE1      HIS  45  14.787   2.832   2.029
  361    HE2  HIS  44           HE2      HIS  45  13.731   0.586   2.438
  362    H    SER  45           HN       SER  46   8.577   4.486   5.571
  363    HA   SER  45           HA       SER  46   7.765   1.800   4.758
  364    HB2  SER  45           HB2      SER  46   6.674   3.288   7.168
  365    HB3  SER  45           HB1      SER  46   5.990   1.800   6.513
  366    HG   SER  45           HG       SER  46   7.375   0.812   7.742
  367    H    ALA  46           HN       ALA  47   5.417   1.750   4.183
  368    HA   ALA  46           HA       ALA  47   4.587   4.309   2.955
  369    HB1  ALA  46           HB1      ALA  47   5.146   2.437   1.396
  370    HB2  ALA  46           HB2      ALA  47   3.509   3.053   1.231
  371    HB3  ALA  46           HB3      ALA  47   3.801   1.535   2.079
  372    H    TYR  47           HN       TYR  48   2.340   4.856   3.049
  373    HA   TYR  47           HA       TYR  48   0.740   3.091   4.777
  374    HB2  TYR  47           HB2      TYR  48   0.655   6.096   4.499
  375    HB3  TYR  47           HB1      TYR  48  -0.655   5.176   5.231
  376    HD1  TYR  47           HD2      TYR  48   2.922   6.052   5.550
  377    HD2  TYR  47           HD1      TYR  48  -0.488   4.364   7.448
  378    HE1  TYR  47           HE2      TYR  48   4.122   6.050   7.694
  379    HE2  TYR  47           HE1      TYR  48   0.707   4.354   9.593
  380    HH   TYR  47           HH       TYR  48   3.852   5.862   9.957
  381    H    VAL  48           HN       VAL  49  -0.365   1.873   3.474
  382    HA   VAL  48           HA       VAL  49  -1.462   2.996   0.998
  383    HB   VAL  48           HB       VAL  49  -1.276   0.111   1.864
  384   HG11  VAL  48          HG11      VAL  49  -2.014   1.347  -0.761
  385   HG12  VAL  48          HG12      VAL  49  -3.054   0.399   0.294
  386   HG13  VAL  48          HG13      VAL  49  -1.692  -0.367  -0.525
  387   HG21  VAL  48          HG21      VAL  49   0.929   1.163   1.568
  388   HG22  VAL  48          HG22      VAL  49   0.465   1.611  -0.076
  389   HG23  VAL  48          HG23      VAL  49   0.607  -0.089   0.366
  390    H    LYS  49           HN       LYS  50  -3.458   3.755   1.170
  391    HA   LYS  49           HA       LYS  50  -5.325   2.698   3.106
  392    HB2  LYS  49           HB2      LYS  50  -5.754   4.678   0.858
  393    HB3  LYS  49           HB1      LYS  50  -6.912   4.309   2.127
  394    HG2  LYS  49           HG2      LYS  50  -5.363   5.199   3.784
  395    HG3  LYS  49           HG1      LYS  50  -4.205   5.561   2.502
  396    HD2  LYS  49           HD2      LYS  50  -6.157   6.898   1.450
  397    HD3  LYS  49           HD1      LYS  50  -6.856   6.827   3.069
  398    HE2  LYS  49           HE2      LYS  50  -4.915   7.872   4.018
  399    HE3  LYS  49           HE1      LYS  50  -4.085   7.842   2.468
  400    HZ1  LYS  49           HZ1      LYS  50  -6.599   9.337   2.954
  401    HZ2  LYS  49           HZ2      LYS  50  -5.595   9.426   1.589
  402    HZ3  LYS  49           HZ3      LYS  50  -5.060  10.021   3.080
  403    H    ILE  50           HN       ILE  51  -6.453   0.905   2.746
  404    HA   ILE  50           HA       ILE  51  -6.793   0.046  -0.037
  405    HB   ILE  50           HB       ILE  51  -7.248  -2.179   0.792
  406   HG12  ILE  50          HG12      ILE  51  -6.610  -1.191   3.564
  407   HG13  ILE  50          HG11      ILE  51  -8.266  -1.312   2.974
  408   HG21  ILE  50          HG21      ILE  51  -4.834  -1.249   2.211
  409   HG22  ILE  50          HG22      ILE  51  -4.906  -1.228   0.459
  410   HG23  ILE  50          HG23      ILE  51  -5.071  -2.747   1.339
  411   HD11  ILE  50          HD11      ILE  51  -7.985  -3.694   2.635
  412   HD12  ILE  50          HD12      ILE  51  -7.621  -3.248   4.303
  413   HD13  ILE  50          HD13      ILE  51  -6.310  -3.583   3.173
  414    H    ASP  51           HN       ASP  52  -8.721  -1.176  -0.498
  415    HA   ASP  51           HA       ASP  52 -11.108   0.157   0.551
  416    HB2  ASP  51           HB2      ASP  52 -10.768   0.121  -1.896
  417    HB3  ASP  51           HB1      ASP  52 -10.747  -1.634  -1.860
  418    H    SER  52           HN       SER  53 -11.861  -0.854   2.301
  419    HA   SER  52           HA       SER  53 -11.387  -3.607   2.828
  420    HB2  SER  52           HB2      SER  53 -11.652  -1.813   4.563
  421    HB3  SER  52           HB1      SER  53 -13.378  -1.796   4.205
  422    HG   SER  52           HG       SER  53 -13.329  -4.097   4.726
  423    H    LYS  53           HN       LYS  54 -13.488  -2.306   0.663
  424    HA   LYS  53           HA       LYS  54 -15.704  -4.105   1.193
  425    HB2  LYS  53           HB2      LYS  54 -15.228  -2.136  -1.051
  426    HB3  LYS  53           HB1      LYS  54 -16.688  -3.094  -0.862
  427    HG2  LYS  53           HG2      LYS  54 -15.671  -1.057   1.112
  428    HG3  LYS  53           HG1      LYS  54 -16.964  -0.796  -0.060
  429    HD2  LYS  53           HD2      LYS  54 -17.009  -2.888   2.114
  430    HD3  LYS  53           HD1      LYS  54 -17.788  -1.312   2.223
  431    HE2  LYS  53           HE2      LYS  54 -19.221  -1.851   0.349
  432    HE3  LYS  53           HE1      LYS  54 -18.390  -3.389   0.121
  433    HZ1  LYS  53           HZ1      LYS  54 -19.186  -4.121   2.260
  434    HZ2  LYS  53           HZ2      LYS  54 -20.496  -3.633   1.309
  435    HZ3  LYS  53           HZ3      LYS  54 -19.930  -2.627   2.544
  436    H    VAL  54           HN       VAL  55 -12.892  -3.899  -0.850
  437    HA   VAL  54           HA       VAL  55 -13.800  -6.290  -2.302
  438    HB   VAL  54           HB       VAL  55 -13.250  -4.280  -3.670
  439   HG11  VAL  54          HG11      VAL  55 -11.401  -3.435  -2.319
  440   HG12  VAL  54          HG12      VAL  55 -10.948  -3.634  -4.011
  441   HG13  VAL  54          HG13      VAL  55 -10.418  -4.814  -2.811
  442   HG21  VAL  54          HG21      VAL  55 -13.198  -6.490  -4.664
  443   HG22  VAL  54          HG22      VAL  55 -11.527  -6.706  -4.141
  444   HG23  VAL  54          HG23      VAL  55 -11.921  -5.480  -5.346
  445    H    THR  55           HN       THR  56 -11.313  -5.097  -0.149
  446    HA   THR  55           HA       THR  56 -10.095  -7.759  -0.218
  447    HB   THR  55           HB       THR  56  -8.809  -6.183  -1.726
  448    HG1  THR  55           HG1      THR  56  -7.889  -8.074  -0.681
  449   HG21  THR  55          HG21      THR  56  -9.014  -4.168  -0.304
  450   HG22  THR  55          HG22      THR  56  -7.338  -4.550  -0.692
  451   HG23  THR  55          HG23      THR  56  -7.984  -4.940   0.900
  452    H    ASN  56           HN       ASN  57  -8.269  -7.811   1.524
  453    HA   ASN  56           HA       ASN  57  -9.184  -6.449   3.969
  454    HB2  ASN  56           HB2      ASN  57  -9.922  -8.849   3.901
  455    HB3  ASN  56           HB1      ASN  57  -8.232  -9.321   3.797
  456   HD21  ASN  56          HD21      ASN  57  -8.346 -10.474   5.717
  457   HD22  ASN  56          HD22      ASN  57  -8.418  -9.690   7.257
  458    H    ARG  57           HN       ARG  58  -7.538  -5.834   5.382
  459    HA   ARG  57           HA       ARG  58  -5.290  -4.803   4.312
  460    HB2  ARG  57           HB2      ARG  58  -5.828  -3.969   6.396
  461    HB3  ARG  57           HB1      ARG  58  -5.989  -5.567   7.111
  462    HG2  ARG  57           HG2      ARG  58  -3.586  -5.852   7.095
  463    HG3  ARG  57           HG1      ARG  58  -3.384  -4.302   6.284
  464    HD2  ARG  57           HD2      ARG  58  -2.925  -4.098   8.652
  465    HD3  ARG  57           HD1      ARG  58  -4.357  -3.169   8.220
  466    HE   ARG  57           HE       ARG  58  -5.025  -5.789   9.129
  467   HH11  ARG  57          HH11      ARG  58  -4.077  -2.602  10.212
  468   HH12  ARG  57          HH12      ARG  58  -4.849  -2.751  11.758
  469   HH21  ARG  57          HH21      ARG  58  -6.042  -5.999  11.174
  470   HH22  ARG  57          HH22      ARG  58  -5.970  -4.687  12.306
  471    H    PHE  58           HN       PHE  59  -5.274  -7.903   6.142
  472    HA   PHE  58           HA       PHE  59  -2.455  -8.103   5.925
  473    HB2  PHE  58           HB2      PHE  59  -4.080  -9.244   7.608
  474    HB3  PHE  58           HB1      PHE  59  -4.195 -10.501   6.380
  475    HD1  PHE  58           HD1      PHE  59  -1.944 -11.449   5.518
  476    HD2  PHE  58           HD2      PHE  59  -2.387  -9.323   9.167
  477    HE1  PHE  58           HE1      PHE  59   0.137 -12.464   6.352
  478    HE2  PHE  58           HE2      PHE  59  -0.304 -10.323  10.008
  479    HZ   PHE  58           HZ       PHE  59   0.962 -11.896   8.601
  480    H    GLU  59           HN       GLU  60  -5.101  -9.374   4.017
  481    HA   GLU  59           HA       GLU  60  -3.565 -11.170   2.451
  482    HB2  GLU  59           HB2      GLU  60  -6.200  -9.820   1.829
  483    HB3  GLU  59           HB1      GLU  60  -5.535 -11.200   0.968
  484    HG2  GLU  59           HG2      GLU  60  -6.414 -11.121   3.843
  485    HG3  GLU  59           HG1      GLU  60  -7.219 -11.942   2.508
  486    H    VAL  60           HN       VAL  61  -4.842  -7.922   1.799
  487    HA   VAL  60           HA       VAL  61  -3.597  -7.671  -0.730
  488    HB   VAL  60           HB       VAL  61  -5.567  -6.355  -0.056
  489   HG11  VAL  60          HG11      VAL  61  -4.760  -5.924   2.278
  490   HG12  VAL  60          HG12      VAL  61  -5.475  -4.547   1.448
  491   HG13  VAL  60          HG13      VAL  61  -3.722  -4.666   1.606
  492   HG21  VAL  60          HG21      VAL  61  -3.146  -4.783  -0.866
  493   HG22  VAL  60          HG22      VAL  61  -4.793  -4.168  -0.951
  494   HG23  VAL  60          HG23      VAL  61  -4.319  -5.562  -1.922
  495    H    GLU  61           HN       GLU  62  -2.617  -6.844   2.537
  496    HA   GLU  61           HA       GLU  62  -0.288  -5.391   2.083
  497    HB2  GLU  61           HB2      GLU  62  -1.498  -6.118   4.278
  498    HB3  GLU  61           HB1      GLU  62  -0.482  -7.539   4.180
  499    HG2  GLU  61           HG2      GLU  62   0.561  -4.723   4.310
  500    HG3  GLU  61           HG1      GLU  62   0.336  -5.782   5.696
  501    H    GLN  62           HN       GLN  63  -0.782  -8.906   2.212
  502    HA   GLN  62           HA       GLN  63   1.875  -9.656   1.728
  503    HB2  GLN  62           HB2      GLN  63   0.248 -11.272   2.523
  504    HB3  GLN  62           HB1      GLN  63  -0.681 -11.112   1.036
  505    HG2  GLN  62           HG2      GLN  63   1.116 -12.075  -0.246
  506    HG3  GLN  62           HG1      GLN  63   2.149 -12.124   1.178
  507   HE21  GLN  62          HE21      GLN  63   0.076 -12.997   2.969
  508   HE22  GLN  62          HE22      GLN  63  -0.238 -14.651   2.592
  509    H    ALA  63           HN       ALA  64  -0.779  -8.932  -0.502
  510    HA   ALA  63           HA       ALA  64   0.664  -9.522  -2.865
  511    HB1  ALA  63           HB1      ALA  64  -1.564  -7.511  -2.524
  512    HB2  ALA  63           HB2      ALA  64  -1.795  -9.242  -2.762
  513    HB3  ALA  63           HB3      ALA  64  -1.045  -8.273  -4.027
  514    H    ILE  64           HN       ILE  65   0.356  -6.584  -0.918
  515    HA   ILE  64           HA       ILE  65   1.797  -4.864  -2.608
  516    HB   ILE  64           HB       ILE  65   1.016  -4.804   0.255
  517   HG12  ILE  64          HG12      ILE  65   0.729  -2.303  -0.973
  518   HG13  ILE  64          HG11      ILE  65   0.363  -3.480  -2.224
  519   HG21  ILE  64          HG21      ILE  65   3.346  -4.165   0.420
  520   HG22  ILE  64          HG22      ILE  65   2.306  -2.768   0.684
  521   HG23  ILE  64          HG23      ILE  65   3.133  -2.974  -0.859
  522   HD11  ILE  64          HD11      ILE  65  -1.341  -4.464  -0.884
  523   HD12  ILE  64          HD12      ILE  65  -1.612  -2.722  -0.977
  524   HD13  ILE  64          HD13      ILE  65  -0.922  -3.433   0.483
  525    H    ARG  65           HN       ARG  66   2.922  -6.879   0.139
  526    HA   ARG  65           HA       ARG  66   5.592  -6.010  -0.038
  527    HB2  ARG  65           HB2      ARG  66   6.158  -8.195   1.099
  528    HB3  ARG  65           HB1      ARG  66   5.094  -7.101   1.968
  529    HG2  ARG  65           HG2      ARG  66   3.926  -8.977   2.327
  530    HG3  ARG  65           HG1      ARG  66   3.313  -8.688   0.697
  531    HD2  ARG  65           HD2      ARG  66   4.075 -11.007   1.002
  532    HD3  ARG  65           HD1      ARG  66   5.004 -10.157  -0.232
  533    HE   ARG  65           HE       ARG  66   6.099 -10.222   2.472
  534   HH11  ARG  65          HH11      ARG  66   6.158 -11.520  -0.776
  535   HH12  ARG  65          HH12      ARG  66   7.754 -12.171  -0.627
  536   HH21  ARG  65          HH21      ARG  66   8.203 -11.084   2.680
  537   HH22  ARG  65          HH22      ARG  66   8.924 -11.923   1.342
  538    H    GLN  66           HN       GLN  67   3.894  -8.556  -1.707
  539    HA   GLN  66           HA       GLN  67   6.139  -9.728  -2.946
  540    HB2  GLN  66           HB2      GLN  67   3.246  -9.584  -3.742
  541    HB3  GLN  66           HB1      GLN  67   4.444 -10.511  -4.643
  542    HG2  GLN  66           HG2      GLN  67   4.935 -11.827  -2.659
  543    HG3  GLN  66           HG1      GLN  67   3.763 -10.902  -1.746
  544   HE21  GLN  66          HE21      GLN  67   2.641 -12.845  -1.286
  545   HE22  GLN  66          HE22      GLN  67   1.624 -13.592  -2.471
  546    H    ALA  67           HN       ALA  68   4.152  -6.963  -3.793
  547    HA   ALA  67           HA       ALA  68   5.280  -6.501  -6.351
  548    HB1  ALA  67           HB1      ALA  68   3.941  -4.668  -4.380
  549    HB2  ALA  67           HB2      ALA  68   3.223  -5.435  -5.795
  550    HB3  ALA  67           HB3      ALA  68   4.431  -4.164  -5.997
  551    H    LEU  68           HN       LEU  69   6.408  -5.996  -3.145
  552    HA   LEU  68           HA       LEU  69   8.586  -4.251  -3.995
  553    HB2  LEU  68           HB2      LEU  69   7.753  -5.332  -1.307
  554    HB3  LEU  68           HB1      LEU  69   9.192  -4.358  -1.550
  555    HG   LEU  68           HG       LEU  69   6.449  -3.376  -2.310
  556   HD11  LEU  68          HD11      LEU  69   6.491  -3.934   0.090
  557   HD12  LEU  68          HD12      LEU  69   6.367  -2.199  -0.199
  558   HD13  LEU  68          HD13      LEU  69   7.907  -2.906   0.286
  559   HD21  LEU  68          HD21      LEU  69   8.620  -2.367  -3.212
  560   HD22  LEU  68          HD22      LEU  69   8.884  -1.792  -1.567
  561   HD23  LEU  68          HD23      LEU  69   7.457  -1.274  -2.464
  562    H    GLU  69           HN       GLU  70   8.016  -7.487  -2.764
  563    HA   GLU  69           HA       GLU  70  10.824  -8.187  -2.839
  564    HB2  GLU  69           HB2      GLU  70   8.323  -9.744  -2.117
  565    HB3  GLU  69           HB1      GLU  70   9.952 -10.420  -2.067
  566    HG2  GLU  69           HG2      GLU  70   9.004  -8.054  -0.463
  567    HG3  GLU  69           HG1      GLU  70   9.141  -9.705   0.138
  Start of MODEL   19
    1    H1   MET   0           HT1      MET   1 -15.041   9.085   0.438
    2    H2   MET   0           HT2      MET   1 -15.664   9.899   1.781
    3    H3   MET   0           HT3      MET   1 -14.380  10.567   0.910
    4    HA   MET   0           HA       MET   1 -17.138  10.153  -0.076
    5    HB2  MET   0           HB2      MET   1 -15.622  12.713   0.474
    6    HB3  MET   0           HB1      MET   1 -17.243  12.602  -0.190
    7    HG2  MET   0           HG2      MET   1 -17.984  11.533   1.910
    8    HG3  MET   0           HG1      MET   1 -16.368  11.785   2.569
    9    HE1  MET   0           HE1      MET   1 -19.362  15.127   1.498
   10    HE2  MET   0           HE2      MET   1 -19.697  13.399   1.389
   11    HE3  MET   0           HE3      MET   1 -18.575  14.153   0.257
   12    H    GLY   1           HN       GLY   2 -14.081  11.851  -0.806
   13    HA2  GLY   1           HA2      GLY   2 -14.718  11.847  -3.628
   14    HA3  GLY   1           HA1      GLY   2 -13.297  12.550  -2.875
   15    H    LYS   2           HN       LYS   3 -11.579  11.084  -2.206
   16    HA   LYS   2           HA       LYS   3 -11.235   8.994  -4.194
   17    HB2  LYS   2           HB2      LYS   3  -9.335  10.071  -2.104
   18    HB3  LYS   2           HB1      LYS   3  -8.917   8.883  -3.329
   19    HG2  LYS   2           HG2      LYS   3  -9.375  10.525  -5.081
   20    HG3  LYS   2           HG1      LYS   3  -9.789  11.718  -3.848
   21    HD2  LYS   2           HD2      LYS   3  -7.111  10.347  -4.055
   22    HD3  LYS   2           HD1      LYS   3  -7.468  11.934  -4.737
   23    HE2  LYS   2           HE2      LYS   3  -7.964  12.800  -2.528
   24    HE3  LYS   2           HE1      LYS   3  -7.713  11.209  -1.821
   25    HZ1  LYS   2           HZ1      LYS   3  -5.615  12.743  -3.252
   26    HZ2  LYS   2           HZ2      LYS   3  -5.407  11.292  -2.400
   27    HZ3  LYS   2           HZ3      LYS   3  -5.797  12.718  -1.572
   28    H    GLU   3           HN       GLU   4 -11.022   9.286  -0.657
   29    HA   GLU   3           HA       GLU   4 -10.948   6.370  -0.466
   30    HB2  GLU   3           HB2      GLU   4 -10.279   6.785   1.897
   31    HB3  GLU   3           HB1      GLU   4  -9.176   7.478   0.717
   32    HG2  GLU   3           HG2      GLU   4 -10.361   9.665   1.047
   33    HG3  GLU   3           HG1      GLU   4 -11.215   8.910   2.391
   34    HA   PRO   4           HA       PRO   5 -15.119   6.388   1.148
   35    HB2  PRO   4           HB2      PRO   5 -15.369   3.730   1.368
   36    HB3  PRO   4           HB1      PRO   5 -15.347   4.517  -0.210
   37    HG2  PRO   4           HG2      PRO   5 -13.205   3.000   1.185
   38    HG3  PRO   4           HG1      PRO   5 -13.610   3.048  -0.540
   39    HD2  PRO   4           HD2      PRO   5 -11.579   4.481   0.690
   40    HD3  PRO   4           HD1      PRO   5 -12.267   4.838  -0.899
   41    HA   PRO   5           HA       PRO   6 -14.676   6.034   5.536
   42    HB2  PRO   5           HB2      PRO   6 -17.192   4.526   5.747
   43    HB3  PRO   5           HB1      PRO   6 -16.796   6.137   6.349
   44    HG2  PRO   5           HG2      PRO   6 -18.465   5.774   4.281
   45    HG3  PRO   5           HG1      PRO   6 -17.368   7.164   4.367
   46    HD2  PRO   5           HD2      PRO   6 -17.098   4.634   2.788
   47    HD3  PRO   5           HD1      PRO   6 -16.737   6.306   2.309
   48    H    TYR   6           HN       TYR   7 -14.608   3.349   3.608
   49    HA   TYR   6           HA       TYR   7 -14.324   1.424   5.794
   50    HB2  TYR   6           HB2      TYR   7 -14.348   0.991   2.811
   51    HB3  TYR   6           HB1      TYR   7 -14.365  -0.273   4.038
   52    HD1  TYR   6           HD1      TYR   7 -16.364  -0.425   5.585
   53    HD2  TYR   6           HD2      TYR   7 -16.363   1.971   2.071
   54    HE1  TYR   6           HE1      TYR   7 -18.820  -0.365   5.632
   55    HE2  TYR   6           HE2      TYR   7 -18.820   2.039   2.109
   56    HH   TYR   6           HH       TYR   7 -20.640   1.179   4.764
   57    H    VAL   7           HN       VAL   8 -12.445   3.560   4.192
   58    HA   VAL   7           HA       VAL   8 -10.285   2.106   3.245
   59    HB   VAL   7           HB       VAL   8 -10.982   4.715   3.238
   60   HG11  VAL   7          HG11      VAL   8  -8.596   4.559   5.069
   61   HG12  VAL   7          HG12      VAL   8 -10.198   5.165   5.490
   62   HG13  VAL   7          HG13      VAL   8  -9.214   6.023   4.305
   63   HG21  VAL   7          HG21      VAL   8  -9.685   3.633   1.585
   64   HG22  VAL   7          HG22      VAL   8  -8.309   3.485   2.673
   65   HG23  VAL   7          HG23      VAL   8  -8.819   5.078   2.103
   66    H    SER   8           HN       SER   9  -8.433   1.347   4.097
   67    HA   SER   8           HA       SER   9  -7.802   2.010   6.895
   68    HB2  SER   8           HB2      SER   9  -7.382  -0.758   5.732
   69    HB3  SER   8           HB1      SER   9  -7.183  -0.249   7.408
   70    HG   SER   8           HG       SER   9  -9.682   0.145   6.238
   71    H    SER   9           HN       SER  10  -5.798   2.795   7.085
   72    HA   SER   9           HA       SER  10  -4.076   2.721   4.734
   73    HB2  SER   9           HB2      SER  10  -2.772   4.450   6.125
   74    HB3  SER   9           HB1      SER  10  -4.370   4.916   5.548
   75    HG   SER   9           HG       SER  10  -3.740   3.939   8.145
   76    H    LEU  10           HN       LEU  11  -2.920   0.903   4.658
   77    HA   LEU  10           HA       LEU  11  -1.944  -0.409   7.033
   78    HB2  LEU  10           HB2      LEU  11  -1.148  -1.041   4.206
   79    HB3  LEU  10           HB1      LEU  11  -1.166  -2.119   5.583
   80    HG   LEU  10           HG       LEU  11  -3.502  -1.098   3.992
   81   HD11  LEU  10          HD11      LEU  11  -2.352  -3.825   4.550
   82   HD12  LEU  10          HD12      LEU  11  -2.442  -2.977   3.004
   83   HD13  LEU  10          HD13      LEU  11  -3.917  -3.553   3.779
   84   HD21  LEU  10          HD21      LEU  11  -3.594  -2.610   6.602
   85   HD22  LEU  10          HD22      LEU  11  -4.967  -2.309   5.544
   86   HD23  LEU  10          HD23      LEU  11  -4.147  -0.961   6.329
   87    H    ARG  11           HN       ARG  12   0.050  -0.261   7.899
   88    HA   ARG  11           HA       ARG  12   1.976   1.505   6.604
   89    HB2  ARG  11           HB2      ARG  12   1.478   1.815   9.009
   90    HB3  ARG  11           HB1      ARG  12   2.080   0.195   9.326
   91    HG2  ARG  11           HG2      ARG  12   4.294   0.861   8.540
   92    HG3  ARG  11           HG1      ARG  12   3.690   2.489   8.225
   93    HD2  ARG  11           HD2      ARG  12   4.857   2.419  10.351
   94    HD3  ARG  11           HD1      ARG  12   3.142   2.737  10.600
   95    HE   ARG  11           HE       ARG  12   3.593  -0.032  10.788
   96   HH11  ARG  11          HH11      ARG  12   4.271   2.918  12.538
   97   HH12  ARG  11          HH12      ARG  12   4.349   2.138  14.084
   98   HH21  ARG  11          HH21      ARG  12   3.699  -1.072  12.828
   99   HH22  ARG  11          HH22      ARG  12   4.019  -0.127  14.251
  100    H    ILE  12           HN       ILE  13   3.163   0.528   5.109
  101    HA   ILE  12           HA       ILE  13   3.947  -2.270   5.454
  102    HB   ILE  12           HB       ILE  13   4.851  -0.793   3.058
  103   HG12  ILE  12          HG12      ILE  13   2.580   0.137   3.342
  104   HG13  ILE  12          HG11      ILE  13   2.700  -0.892   1.924
  105   HG21  ILE  12          HG21      ILE  13   3.524  -3.464   3.479
  106   HG22  ILE  12          HG22      ILE  13   5.260  -3.169   3.370
  107   HG23  ILE  12          HG23      ILE  13   4.229  -2.887   1.968
  108   HD11  ILE  12          HD11      ILE  13   1.628  -2.718   3.185
  109   HD12  ILE  12          HD12      ILE  13   0.612  -1.283   3.065
  110   HD13  ILE  12          HD13      ILE  13   1.465  -1.637   4.567
  111    H    GLU  13           HN       GLU  14   5.976  -2.862   5.957
  112    HA   GLU  13           HA       GLU  14   7.944  -0.800   6.401
  113    HB2  GLU  13           HB2      GLU  14   9.391  -2.655   7.182
  114    HB3  GLU  13           HB1      GLU  14   7.843  -2.584   8.011
  115    HG2  GLU  13           HG2      GLU  14   7.024  -4.464   6.821
  116    HG3  GLU  13           HG1      GLU  14   8.395  -4.440   5.715
  117    H    ILE  14           HN       ILE  15   8.986   0.015   4.759
  118    HA   ILE  14           HA       ILE  15   9.170  -1.301   2.232
  119    HB   ILE  14           HB       ILE  15  10.502   1.224   3.218
  120   HG12  ILE  14          HG12      ILE  15   8.043   0.942   1.489
  121   HG13  ILE  14          HG11      ILE  15   7.966   1.136   3.231
  122   HG21  ILE  14          HG21      ILE  15  11.436  -0.028   1.152
  123   HG22  ILE  14          HG22      ILE  15  11.134   1.710   1.041
  124   HG23  ILE  14          HG23      ILE  15   9.981   0.569   0.347
  125   HD11  ILE  14          HD11      ILE  15   9.291   3.110   1.402
  126   HD12  ILE  14          HD12      ILE  15   8.916   3.309   3.106
  127   HD13  ILE  14          HD13      ILE  15   7.615   3.221   1.920
  128    HA   PRO  15           HA       PRO  16  12.871  -3.670   2.825
  129    HB2  PRO  15           HB2      PRO  16  13.487  -2.949   0.033
  130    HB3  PRO  15           HB1      PRO  16  13.298  -4.538   0.763
  131    HG2  PRO  15           HG2      PRO  16  11.452  -3.443  -0.882
  132    HG3  PRO  15           HG1      PRO  16  11.044  -4.581   0.402
  133    HD2  PRO  15           HD2      PRO  16  10.613  -1.666   0.258
  134    HD3  PRO  15           HD1      PRO  16   9.726  -2.889   1.176
  135    H    ALA  16           HN       ALA  17  14.966  -3.235   3.324
  136    HA   ALA  16           HA       ALA  17  15.758  -0.554   3.636
  137    HB1  ALA  16           HB1      ALA  17  17.454  -3.039   3.785
  138    HB2  ALA  16           HB2      ALA  17  16.522  -2.346   5.111
  139    HB3  ALA  16           HB3      ALA  17  17.878  -1.453   4.424
  140    H    ASP  17           HN       ASP  18  16.221  -2.838   1.075
  141    HA   ASP  17           HA       ASP  18  18.280  -1.283  -0.234
  142    HB2  ASP  17           HB2      ASP  18  18.317  -3.701  -0.487
  143    HB3  ASP  17           HB1      ASP  18  16.691  -3.685  -1.160
  144    H    ILE  18           HN       ILE  19  14.825  -1.603  -0.328
  145    HA   ILE  18           HA       ILE  19  14.557  -0.206  -2.844
  146    HB   ILE  18           HB       ILE  19  12.597  -1.408  -0.912
  147   HG12  ILE  18          HG12      ILE  19  11.891  -2.717  -2.802
  148   HG13  ILE  18          HG11      ILE  19  12.830  -1.736  -3.908
  149   HG21  ILE  18          HG21      ILE  19  11.629   0.744  -1.476
  150   HG22  ILE  18          HG22      ILE  19  10.737  -0.558  -2.265
  151   HG23  ILE  18          HG23      ILE  19  11.872   0.422  -3.194
  152   HD11  ILE  18          HD11      ILE  19  14.019  -3.468  -1.769
  153   HD12  ILE  18          HD12      ILE  19  14.873  -2.632  -3.062
  154   HD13  ILE  18          HD13      ILE  19  13.786  -3.968  -3.440
  155    H    ALA  19           HN       ALA  20  14.119   1.912  -3.104
  156    HA   ALA  19           HA       ALA  20  14.445   3.631  -0.803
  157    HB1  ALA  19           HB1      ALA  20  14.256   5.447  -2.574
  158    HB2  ALA  19           HB2      ALA  20  14.220   4.139  -3.759
  159    HB3  ALA  19           HB3      ALA  20  15.625   4.343  -2.712
  160    H    ALA  20           HN       ALA  21  12.952   4.972   0.075
  161    HA   ALA  20           HA       ALA  21  10.164   4.446  -0.417
  162    HB1  ALA  20           HB1      ALA  21   9.945   6.343   1.337
  163    HB2  ALA  20           HB2      ALA  21  11.696   6.205   1.474
  164    HB3  ALA  20           HB3      ALA  21  10.675   4.818   1.838
  165    H    ASN  21           HN       ASN  22   9.608   5.194  -2.465
  166    HA   ASN  21           HA       ASN  22   9.448   8.061  -2.763
  167    HB2  ASN  21           HB2      ASN  22  10.729   8.285  -4.752
  168    HB3  ASN  21           HB1      ASN  22  11.744   7.430  -3.599
  169   HD21  ASN  21          HD21      ASN  22  12.014   5.152  -3.870
  170   HD22  ASN  21          HD22      ASN  22  11.846   4.439  -5.435
  171    H    GLU  22           HN       GLU  23   8.713   8.366  -5.342
  172    HA   GLU  22           HA       GLU  23   6.042   7.476  -5.196
  173    HB2  GLU  22           HB2      GLU  23   6.776   9.591  -6.262
  174    HB3  GLU  22           HB1      GLU  23   7.474   8.659  -7.579
  175    HG2  GLU  22           HG2      GLU  23   5.331   7.879  -8.260
  176    HG3  GLU  22           HG1      GLU  23   4.567   8.563  -6.827
  177    H    ALA  23           HN       ALA  24   8.842   6.120  -6.849
  178    HA   ALA  23           HA       ALA  24   7.526   4.474  -8.701
  179    HB1  ALA  23           HB1      ALA  24   9.956   4.789  -8.685
  180    HB2  ALA  23           HB2      ALA  24   9.526   3.079  -8.668
  181    HB3  ALA  23           HB3      ALA  24  10.065   3.867  -7.186
  182    H    LEU  24           HN       LEU  25   8.300   3.966  -5.301
  183    HA   LEU  24           HA       LEU  25   7.272   1.369  -5.019
  184    HB2  LEU  24           HB2      LEU  25   8.658   2.507  -3.321
  185    HB3  LEU  24           HB1      LEU  25   7.357   3.635  -3.018
  186    HG   LEU  24           HG       LEU  25   6.685   0.780  -2.659
  187   HD11  LEU  24          HD11      LEU  25   8.454   2.253  -0.712
  188   HD12  LEU  24          HD12      LEU  25   8.962   0.907  -1.733
  189   HD13  LEU  24          HD13      LEU  25   7.742   0.655  -0.484
  190   HD21  LEU  24          HD21      LEU  25   6.190   3.292  -1.065
  191   HD22  LEU  24          HD22      LEU  25   5.518   1.703  -0.702
  192   HD23  LEU  24          HD23      LEU  25   5.069   2.533  -2.192
  193    H    LYS  25           HN       LYS  26   5.829   4.548  -4.686
  194    HA   LYS  25           HA       LYS  26   3.274   3.836  -3.846
  195    HB2  LYS  25           HB2      LYS  26   4.069   6.114  -3.774
  196    HB3  LYS  25           HB1      LYS  26   4.219   6.163  -5.519
  197    HG2  LYS  25           HG2      LYS  26   1.747   5.820  -5.644
  198    HG3  LYS  25           HG1      LYS  26   1.702   6.040  -3.896
  199    HD2  LYS  25           HD2      LYS  26   2.766   8.247  -4.182
  200    HD3  LYS  25           HD1      LYS  26   2.688   8.026  -5.931
  201    HE2  LYS  25           HE2      LYS  26   0.293   7.937  -5.877
  202    HE3  LYS  25           HE1      LYS  26   0.287   7.961  -4.116
  203    HZ1  LYS  25           HZ1      LYS  26   1.188  10.180  -4.151
  204    HZ2  LYS  25           HZ2      LYS  26  -0.218  10.135  -5.088
  205    HZ3  LYS  25           HZ3      LYS  26   1.293  10.161  -5.838
  206    H    VAL  26           HN       VAL  27   4.470   4.407  -7.159
  207    HA   VAL  26           HA       VAL  27   1.935   4.118  -8.350
  208    HB   VAL  26           HB       VAL  27   3.066   4.031 -10.498
  209   HG11  VAL  26          HG11      VAL  27   4.309   6.008  -8.598
  210   HG12  VAL  26          HG12      VAL  27   2.772   6.193  -9.442
  211   HG13  VAL  26          HG13      VAL  27   4.280   6.158 -10.355
  212   HG21  VAL  26          HG21      VAL  27   4.914   2.578 -10.013
  213   HG22  VAL  26          HG22      VAL  27   5.598   3.756  -8.893
  214   HG23  VAL  26          HG23      VAL  27   5.533   4.113 -10.620
  215    H    ARG  27           HN       ARG  28   4.476   1.736  -7.689
  216    HA   ARG  27           HA       ARG  28   3.186  -0.287  -9.257
  217    HB2  ARG  27           HB2      ARG  28   4.789  -1.822  -8.433
  218    HB3  ARG  27           HB1      ARG  28   5.635  -0.296  -8.629
  219    HG2  ARG  27           HG2      ARG  28   5.591   0.103  -6.271
  220    HG3  ARG  27           HG1      ARG  28   4.551  -1.298  -6.011
  221    HD2  ARG  27           HD2      ARG  28   6.777  -1.925  -5.428
  222    HD3  ARG  27           HD1      ARG  28   6.367  -2.726  -6.942
  223    HE   ARG  27           HE       ARG  28   7.625  -0.310  -7.562
  224   HH11  ARG  27          HH11      ARG  28   8.383  -3.433  -6.165
  225   HH12  ARG  27          HH12      ARG  28  10.068  -3.340  -6.574
  226   HH21  ARG  27          HH21      ARG  28   9.832  -0.212  -8.122
  227   HH22  ARG  27          HH22      ARG  28  10.886  -1.521  -7.691
  228    H    LEU  28           HN       LEU  29   3.085   0.653  -5.852
  229    HA   LEU  28           HA       LEU  29   1.409  -1.510  -5.069
  230    HB2  LEU  28           HB2      LEU  29   1.826   1.164  -3.738
  231    HB3  LEU  28           HB1      LEU  29   1.077  -0.241  -3.006
  232    HG   LEU  28           HG       LEU  29   3.961   0.122  -3.763
  233   HD11  LEU  28          HD11      LEU  29   3.317   1.060  -1.635
  234   HD12  LEU  28          HD12      LEU  29   4.328  -0.363  -1.393
  235   HD13  LEU  28          HD13      LEU  29   2.584  -0.469  -1.156
  236   HD21  LEU  28          HD21      LEU  29   2.449  -2.364  -3.153
  237   HD22  LEU  28          HD22      LEU  29   4.163  -2.233  -2.782
  238   HD23  LEU  28          HD23      LEU  29   3.601  -2.064  -4.445
  239    H    LEU  29           HN       LEU  30   0.882   1.690  -6.367
  240    HA   LEU  29           HA       LEU  30  -1.883   1.884  -5.866
  241    HB2  LEU  29           HB2      LEU  30   0.001   3.141  -7.807
  242    HB3  LEU  29           HB1      LEU  30  -1.722   3.346  -8.044
  243    HG   LEU  29           HG       LEU  30  -0.223   4.114  -5.540
  244   HD11  LEU  29          HD11      LEU  30   0.466   5.636  -7.179
  245   HD12  LEU  29          HD12      LEU  30  -0.865   6.439  -6.351
  246   HD13  LEU  29          HD13      LEU  30  -1.131   5.692  -7.923
  247   HD21  LEU  29          HD21      LEU  30  -2.208   4.284  -4.570
  248   HD22  LEU  29          HD22      LEU  30  -2.981   3.665  -6.029
  249   HD23  LEU  29          HD23      LEU  30  -2.737   5.399  -5.830
  250    H    GLU  30           HN       GLU  31  -0.276  -0.368  -7.701
  251    HA   GLU  30           HA       GLU  31  -2.534  -0.725  -9.540
  252    HB2  GLU  30           HB2      GLU  31   0.212  -1.984  -9.613
  253    HB3  GLU  30           HB1      GLU  31  -1.052  -2.206 -10.814
  254    HG2  GLU  30           HG2      GLU  31  -0.949   0.209 -11.311
  255    HG3  GLU  30           HG1      GLU  31   0.391   0.355 -10.176
  256    H    THR  31           HN       THR  32  -1.947  -1.625  -6.526
  257    HA   THR  31           HA       THR  32  -2.231  -4.501  -6.857
  258    HB   THR  31           HB       THR  32  -2.226  -2.916  -4.283
  259    HG1  THR  31           HG1      THR  32  -0.176  -3.653  -6.021
  260   HG21  THR  31          HG21      THR  32  -2.659  -4.929  -3.408
  261   HG22  THR  31          HG22      THR  32  -1.020  -5.372  -3.881
  262   HG23  THR  31          HG23      THR  32  -2.376  -5.743  -4.945
  263    H    GLU  32           HN       GLU  33  -4.035  -5.681  -6.207
  264    HA   GLU  32           HA       GLU  33  -6.500  -4.477  -6.869
  265    HB2  GLU  32           HB2      GLU  33  -5.938  -6.844  -7.280
  266    HB3  GLU  32           HB1      GLU  33  -5.972  -7.142  -5.550
  267    HG2  GLU  32           HG2      GLU  33  -8.334  -6.631  -5.477
  268    HG3  GLU  32           HG1      GLU  33  -8.319  -6.226  -7.196
  269    H    GLY  33           HN       GLY  34  -7.513  -3.058  -5.606
  270    HA2  GLY  33           HA2      GLY  34  -9.062  -2.843  -3.766
  271    HA3  GLY  33           HA1      GLY  34  -7.970  -3.814  -2.795
  272    H    VAL  34           HN       VAL  35  -6.096  -1.724  -4.547
  273    HA   VAL  34           HA       VAL  35  -5.536  -0.106  -2.241
  274    HB   VAL  34           HB       VAL  35  -3.845   0.982  -3.581
  275   HG11  VAL  34          HG11      VAL  35  -3.206  -1.115  -2.679
  276   HG12  VAL  34          HG12      VAL  35  -2.555  -1.011  -4.307
  277   HG13  VAL  34          HG13      VAL  35  -3.990  -1.985  -3.989
  278   HG21  VAL  34          HG21      VAL  35  -5.057   1.237  -5.666
  279   HG22  VAL  34          HG22      VAL  35  -5.011  -0.506  -5.923
  280   HG23  VAL  34          HG23      VAL  35  -3.516   0.427  -5.948
  281    H    LYS  35           HN       LYS  36  -6.013   2.001  -1.873
  282    HA   LYS  35           HA       LYS  36  -7.772   3.332  -3.825
  283    HB2  LYS  35           HB2      LYS  36  -7.571   3.695  -0.834
  284    HB3  LYS  35           HB1      LYS  36  -8.574   4.678  -1.887
  285    HG2  LYS  35           HG2      LYS  36  -8.847   1.723  -1.402
  286    HG3  LYS  35           HG1      LYS  36  -9.911   2.994  -0.801
  287    HD2  LYS  35           HD2      LYS  36  -9.444   2.310  -3.691
  288    HD3  LYS  35           HD1      LYS  36 -10.862   1.859  -2.754
  289    HE2  LYS  35           HE2      LYS  36 -11.332   4.263  -2.403
  290    HE3  LYS  35           HE1      LYS  36  -9.966   4.655  -3.438
  291    HZ1  LYS  35           HZ1      LYS  36 -11.995   4.765  -4.684
  292    HZ2  LYS  35           HZ2      LYS  36 -12.419   3.195  -4.235
  293    HZ3  LYS  35           HZ3      LYS  36 -11.087   3.452  -5.242
  294    H    GLU  36           HN       GLU  37  -4.971   3.679  -1.745
  295    HA   GLU  36           HA       GLU  37  -3.813   5.733  -3.303
  296    HB2  GLU  36           HB2      GLU  37  -5.430   7.177  -2.284
  297    HB3  GLU  36           HB1      GLU  37  -5.112   6.517  -0.690
  298    HG2  GLU  36           HG2      GLU  37  -3.037   7.608  -0.546
  299    HG3  GLU  36           HG1      GLU  37  -3.033   7.997  -2.265
  300    H    VAL  37           HN       VAL  38  -1.654   5.984  -2.810
  301    HA   VAL  37           HA       VAL  38  -0.672   4.345  -0.564
  302    HB   VAL  37           HB       VAL  38   0.617   4.635  -3.279
  303   HG11  VAL  37          HG11      VAL  38   2.267   4.509  -1.490
  304   HG12  VAL  37          HG12      VAL  38   2.260   3.022  -2.438
  305   HG13  VAL  37          HG13      VAL  38   1.486   3.064  -0.856
  306   HG21  VAL  37          HG21      VAL  38  -0.425   2.123  -2.015
  307   HG22  VAL  37          HG22      VAL  38   0.053   2.387  -3.691
  308   HG23  VAL  37          HG23      VAL  38  -1.419   3.130  -3.063
  309    H    LEU  38           HN       LEU  39   0.539   5.347   0.842
  310    HA   LEU  38           HA       LEU  39   1.661   7.986   0.178
  311    HB2  LEU  38           HB2      LEU  39   0.606   6.762   2.674
  312    HB3  LEU  38           HB1      LEU  39   1.799   8.035   2.787
  313    HG   LEU  38           HG       LEU  39   0.241   9.492   1.460
  314   HD11  LEU  38          HD11      LEU  39  -1.664   7.215   1.985
  315   HD12  LEU  38          HD12      LEU  39  -1.128   7.797   0.410
  316   HD13  LEU  38          HD13      LEU  39  -2.134   8.823   1.432
  317   HD21  LEU  38          HD21      LEU  39   0.527   9.283   3.996
  318   HD22  LEU  38          HD22      LEU  39  -1.064   8.517   3.965
  319   HD23  LEU  38          HD23      LEU  39  -0.865  10.169   3.373
  320    H    ILE  39           HN       ILE  40   3.791   8.398   0.485
  321    HA   ILE  39           HA       ILE  40   5.450   6.174   1.466
  322    HB   ILE  39           HB       ILE  40   5.960   8.355  -0.506
  323   HG12  ILE  39          HG12      ILE  40   7.158   6.570  -1.692
  324   HG13  ILE  39          HG11      ILE  40   6.877   5.476  -0.348
  325   HG21  ILE  39          HG21      ILE  40   7.965   7.318   1.446
  326   HG22  ILE  39          HG22      ILE  40   7.745   8.956   0.814
  327   HG23  ILE  39          HG23      ILE  40   8.473   7.711  -0.201
  328   HD11  ILE  39          HD11      ILE  40   4.641   5.260  -0.847
  329   HD12  ILE  39          HD12      ILE  40   5.400   5.318  -2.435
  330   HD13  ILE  39          HD13      ILE  40   4.594   6.749  -1.786
  331    H    ALA  40           HN       ALA  41   6.466   6.376   3.344
  332    HA   ALA  40           HA       ALA  41   6.942   9.079   4.420
  333    HB1  ALA  40           HB1      ALA  41   6.311   6.545   5.918
  334    HB2  ALA  40           HB2      ALA  41   5.266   7.957   5.763
  335    HB3  ALA  40           HB3      ALA  41   6.775   8.069   6.674
  336    H    GLU  41           HN       GLU  42   8.997   9.223   3.563
  337    HA   GLU  41           HA       GLU  42  10.884   7.160   3.442
  338    HB2  GLU  41           HB2      GLU  42  11.238  10.141   3.461
  339    HB3  GLU  41           HB1      GLU  42  12.535   9.017   3.111
  340    HG2  GLU  41           HG2      GLU  42  11.304   8.214   1.172
  341    HG3  GLU  41           HG1      GLU  42   9.991   9.330   1.543
  342    H    GLU  42           HN       GLU  43  10.291   9.603   5.925
  343    HA   GLU  42           HA       GLU  43  12.645   9.157   7.403
  344    HB2  GLU  42           HB2      GLU  43  11.255  11.148   7.691
  345    HB3  GLU  42           HB1      GLU  43   9.961  10.167   8.363
  346    HG2  GLU  42           HG2      GLU  43  11.288   9.648  10.284
  347    HG3  GLU  42           HG1      GLU  43  12.697  10.420   9.561
  348    H    GLU  43           HN       GLU  44   9.509   7.577   7.457
  349    HA   GLU  43           HA       GLU  44  10.290   5.883   9.694
  350    HB2  GLU  43           HB2      GLU  44   7.784   5.819   7.997
  351    HB3  GLU  43           HB1      GLU  44   8.053   4.900   9.470
  352    HG2  GLU  43           HG2      GLU  44   7.928   7.898   9.278
  353    HG3  GLU  43           HG1      GLU  44   6.627   6.846   9.835
  354    H    HIS  44           HN       HIS  45  10.851   5.989   6.478
  355    HA   HIS  44           HA       HIS  45  11.221   4.576   4.749
  356    HB2  HIS  44           HB2      HIS  45  12.982   3.917   6.578
  357    HB3  HIS  44           HB1      HIS  45  12.033   2.441   6.697
  358    HD1  HIS  44           HD1      HIS  45  14.889   2.174   5.755
  359    HD2  HIS  44           HD2      HIS  45  11.719   2.833   3.147
  360    HE1  HIS  44           HE1      HIS  45  15.696   1.419   3.493
  361    HE2  HIS  44           HE2      HIS  45  13.732   1.730   1.951
  362    H    SER  45           HN       SER  46   8.589   4.649   5.589
  363    HA   SER  45           HA       SER  46   7.713   1.935   4.955
  364    HB2  SER  45           HB2      SER  46   6.567   3.561   7.243
  365    HB3  SER  45           HB1      SER  46   6.022   1.967   6.728
  366    HG   SER  45           HG       SER  46   8.609   2.595   7.737
  367    H    ALA  46           HN       ALA  47   5.468   1.827   4.294
  368    HA   ALA  46           HA       ALA  47   4.567   4.327   3.004
  369    HB1  ALA  46           HB1      ALA  47   5.318   2.445   1.500
  370    HB2  ALA  46           HB2      ALA  47   3.684   3.030   1.216
  371    HB3  ALA  46           HB3      ALA  47   3.943   1.521   2.092
  372    H    TYR  47           HN       TYR  48   2.348   4.846   3.114
  373    HA   TYR  47           HA       TYR  48   0.737   3.032   4.786
  374    HB2  TYR  47           HB2      TYR  48   0.425   6.015   4.376
  375    HB3  TYR  47           HB1      TYR  48  -0.708   5.011   5.265
  376    HD1  TYR  47           HD2      TYR  48   2.671   6.461   5.273
  377    HD2  TYR  47           HD1      TYR  48  -0.217   4.270   7.496
  378    HE1  TYR  47           HE2      TYR  48   3.986   6.813   7.319
  379    HE2  TYR  47           HE1      TYR  48   1.091   4.624   9.550
  380    HH   TYR  47           HH       TYR  48   3.631   6.869   9.737
  381    H    VAL  48           HN       VAL  49  -0.349   1.760   3.486
  382    HA   VAL  48           HA       VAL  49  -1.372   2.815   0.946
  383    HB   VAL  48           HB       VAL  49  -1.117  -0.048   1.859
  384   HG11  VAL  48          HG11      VAL  49  -1.887   1.131  -0.779
  385   HG12  VAL  48          HG12      VAL  49  -2.865   0.107   0.261
  386   HG13  VAL  48          HG13      VAL  49  -1.447  -0.556  -0.552
  387   HG21  VAL  48          HG21      VAL  49   1.047   1.110   1.575
  388   HG22  VAL  48          HG22      VAL  49   0.594   1.467  -0.096
  389   HG23  VAL  48          HG23      VAL  49   0.805  -0.205   0.422
  390    H    LYS  49           HN       LYS  50  -3.389   3.490   0.984
  391    HA   LYS  49           HA       LYS  50  -5.242   2.571   2.994
  392    HB2  LYS  49           HB2      LYS  50  -5.565   4.484   0.681
  393    HB3  LYS  49           HB1      LYS  50  -6.811   4.152   1.873
  394    HG2  LYS  49           HG2      LYS  50  -5.257   4.947   3.633
  395    HG3  LYS  49           HG1      LYS  50  -4.125   5.404   2.360
  396    HD2  LYS  49           HD2      LYS  50  -6.089   6.757   1.392
  397    HD3  LYS  49           HD1      LYS  50  -6.827   6.542   2.978
  398    HE2  LYS  49           HE2      LYS  50  -5.097   7.676   4.086
  399    HE3  LYS  49           HE1      LYS  50  -4.030   7.591   2.691
  400    HZ1  LYS  49           HZ1      LYS  50  -5.086   9.803   3.161
  401    HZ2  LYS  49           HZ2      LYS  50  -6.562   9.133   2.661
  402    HZ3  LYS  49           HZ3      LYS  50  -5.257   9.228   1.577
  403    H    ILE  50           HN       ILE  51  -6.491   0.869   2.795
  404    HA   ILE  50           HA       ILE  51  -6.895  -0.271   0.120
  405    HB   ILE  50           HB       ILE  51  -7.360  -2.378   1.169
  406   HG12  ILE  50          HG12      ILE  51  -6.971  -1.003   3.829
  407   HG13  ILE  50          HG11      ILE  51  -8.545  -1.408   3.152
  408   HG21  ILE  50          HG21      ILE  51  -4.995  -1.178   2.501
  409   HG22  ILE  50          HG22      ILE  51  -5.011  -1.709   0.831
  410   HG23  ILE  50          HG23      ILE  51  -5.237  -2.873   2.140
  411   HD11  ILE  50          HD11      ILE  51  -7.957  -3.771   3.207
  412   HD12  ILE  50          HD12      ILE  51  -7.847  -3.034   4.806
  413   HD13  ILE  50          HD13      ILE  51  -6.382  -3.360   3.882
  414    H    ASP  51           HN       ASP  52  -8.874  -1.370  -0.258
  415    HA   ASP  51           HA       ASP  52 -11.219  -0.065   0.946
  416    HB2  ASP  51           HB2      ASP  52 -10.961  -0.004  -1.551
  417    HB3  ASP  51           HB1      ASP  52 -11.055  -1.754  -1.559
  418    H    SER  52           HN       SER  53 -11.733  -1.225   2.724
  419    HA   SER  52           HA       SER  53 -11.067  -3.963   3.023
  420    HB2  SER  52           HB2      SER  53 -12.436  -3.775   5.142
  421    HB3  SER  52           HB1      SER  53 -11.117  -2.616   4.982
  422    HG   SER  52           HG       SER  53 -12.513  -1.048   4.973
  423    H    LYS  53           HN       LYS  54 -13.486  -2.699   1.201
  424    HA   LYS  53           HA       LYS  54 -15.469  -4.736   1.806
  425    HB2  LYS  53           HB2      LYS  54 -15.397  -2.497  -0.212
  426    HB3  LYS  53           HB1      LYS  54 -16.711  -3.657  -0.104
  427    HG2  LYS  53           HG2      LYS  54 -15.843  -1.866   2.153
  428    HG3  LYS  53           HG1      LYS  54 -17.155  -1.499   1.035
  429    HD2  LYS  53           HD2      LYS  54 -17.019  -3.898   2.863
  430    HD3  LYS  53           HD1      LYS  54 -17.988  -2.451   3.136
  431    HE2  LYS  53           HE2      LYS  54 -18.276  -4.362   0.819
  432    HE3  LYS  53           HE1      LYS  54 -19.336  -4.274   2.221
  433    HZ1  LYS  53           HZ1      LYS  54 -19.962  -2.042   1.580
  434    HZ2  LYS  53           HZ2      LYS  54 -20.261  -3.111   0.309
  435    HZ3  LYS  53           HZ3      LYS  54 -18.918  -2.086   0.253
  436    H    VAL  54           HN       VAL  55 -13.125  -3.938  -0.716
  437    HA   VAL  54           HA       VAL  55 -13.922  -6.292  -2.241
  438    HB   VAL  54           HB       VAL  55 -13.353  -4.145  -3.404
  439   HG11  VAL  54          HG11      VAL  55 -11.438  -3.571  -1.925
  440   HG12  VAL  54          HG12      VAL  55 -11.106  -3.424  -3.649
  441   HG13  VAL  54          HG13      VAL  55 -10.500  -4.814  -2.750
  442   HG21  VAL  54          HG21      VAL  55 -13.347  -6.251  -4.613
  443   HG22  VAL  54          HG22      VAL  55 -11.674  -6.540  -4.133
  444   HG23  VAL  54          HG23      VAL  55 -12.064  -5.195  -5.205
  445    H    THR  55           HN       THR  56 -11.443  -5.279  -0.026
  446    HA   THR  55           HA       THR  56 -10.369  -7.965   0.048
  447    HB   THR  55           HB       THR  56  -9.074  -6.931  -1.781
  448    HG1  THR  55           HG1      THR  56  -7.633  -8.226  -0.944
  449   HG21  THR  55          HG21      THR  56  -8.448  -4.855   0.309
  450   HG22  THR  55          HG22      THR  56  -9.098  -4.624  -1.311
  451   HG23  THR  55          HG23      THR  56  -7.418  -5.115  -1.099
  452    H    ASN  56           HN       ASN  57  -8.952  -8.289   1.892
  453    HA   ASN  56           HA       ASN  57  -9.353  -6.259   3.981
  454    HB2  ASN  56           HB2      ASN  57  -8.429  -9.124   4.305
  455    HB3  ASN  56           HB1      ASN  57  -8.788  -7.993   5.603
  456   HD21  ASN  56          HD21      ASN  57 -10.030 -10.200   3.329
  457   HD22  ASN  56          HD22      ASN  57 -11.692 -10.124   3.816
  458    H    ARG  57           HN       ARG  58  -7.514  -5.964   5.492
  459    HA   ARG  57           HA       ARG  58  -5.314  -4.914   4.328
  460    HB2  ARG  57           HB2      ARG  58  -5.649  -4.405   6.583
  461    HB3  ARG  57           HB1      ARG  58  -5.727  -6.096   7.052
  462    HG2  ARG  57           HG2      ARG  58  -3.291  -6.285   6.512
  463    HG3  ARG  57           HG1      ARG  58  -3.270  -4.540   6.263
  464    HD2  ARG  57           HD2      ARG  58  -2.523  -5.151   8.518
  465    HD3  ARG  57           HD1      ARG  58  -3.995  -4.179   8.553
  466    HE   ARG  57           HE       ARG  58  -4.601  -6.954   8.569
  467   HH11  ARG  57          HH11      ARG  58  -3.440  -4.378  10.631
  468   HH12  ARG  57          HH12      ARG  58  -4.067  -5.090  12.086
  469   HH21  ARG  57          HH21      ARG  58  -5.429  -7.895  10.480
  470   HH22  ARG  57          HH22      ARG  58  -5.203  -7.083  11.998
  471    H    PHE  58           HN       PHE  59  -5.454  -8.274   5.622
  472    HA   PHE  58           HA       PHE  59  -2.634  -8.540   5.406
  473    HB2  PHE  58           HB2      PHE  59  -4.348  -9.879   6.854
  474    HB3  PHE  58           HB1      PHE  59  -4.479 -10.915   5.440
  475    HD1  PHE  58           HD1      PHE  59  -1.940 -11.428   4.438
  476    HD2  PHE  58           HD2      PHE  59  -3.005 -10.706   8.493
  477    HE1  PHE  58           HE1      PHE  59   0.046 -12.675   5.179
  478    HE2  PHE  58           HE2      PHE  59  -1.019 -11.945   9.238
  479    HZ   PHE  58           HZ       PHE  59   0.509 -12.932   7.582
  480    H    GLU  59           HN       GLU  60  -5.289  -9.591   3.306
  481    HA   GLU  59           HA       GLU  60  -3.729 -11.166   1.577
  482    HB2  GLU  59           HB2      GLU  60  -6.345  -9.744   1.129
  483    HB3  GLU  59           HB1      GLU  60  -5.631 -10.866  -0.021
  484    HG2  GLU  59           HG2      GLU  60  -6.526 -11.481   2.782
  485    HG3  GLU  59           HG1      GLU  60  -7.281 -12.006   1.282
  486    H    VAL  60           HN       VAL  61  -4.902  -7.828   1.217
  487    HA   VAL  60           HA       VAL  61  -3.504  -7.418  -1.226
  488    HB   VAL  60           HB       VAL  61  -5.549  -6.184  -0.627
  489   HG11  VAL  60          HG11      VAL  61  -5.111  -5.851   1.747
  490   HG12  VAL  60          HG12      VAL  61  -5.496  -4.336   0.932
  491   HG13  VAL  60          HG13      VAL  61  -3.824  -4.713   1.349
  492   HG21  VAL  60          HG21      VAL  61  -3.098  -4.555  -1.204
  493   HG22  VAL  60          HG22      VAL  61  -4.735  -3.909  -1.297
  494   HG23  VAL  60          HG23      VAL  61  -4.249  -5.236  -2.352
  495    H    GLU  61           HN       GLU  62  -2.839  -6.704   2.147
  496    HA   GLU  61           HA       GLU  62  -0.508  -5.177   1.945
  497    HB2  GLU  61           HB2      GLU  62  -1.862  -5.722   4.012
  498    HB3  GLU  61           HB1      GLU  62  -1.104  -7.301   4.008
  499    HG2  GLU  61           HG2      GLU  62   1.076  -6.189   4.237
  500    HG3  GLU  61           HG1      GLU  62   0.242  -4.656   4.382
  501    H    GLN  62           HN       GLN  63  -0.970  -8.676   2.059
  502    HA   GLN  62           HA       GLN  63   1.697  -9.479   1.902
  503    HB2  GLN  62           HB2      GLN  63  -0.165 -11.005   2.401
  504    HB3  GLN  62           HB1      GLN  63  -0.764 -10.815   0.760
  505    HG2  GLN  62           HG2      GLN  63   1.277 -11.829  -0.102
  506    HG3  GLN  62           HG1      GLN  63   1.866 -12.033   1.547
  507   HE21  GLN  62          HE21      GLN  63  -0.413 -13.103  -0.841
  508   HE22  GLN  62          HE22      GLN  63  -0.875 -14.563  -0.033
  509    H    ALA  63           HN       ALA  64  -0.652  -8.760  -0.653
  510    HA   ALA  63           HA       ALA  64   1.029  -9.354  -2.833
  511    HB1  ALA  63           HB1      ALA  64  -1.243  -7.367  -2.716
  512    HB2  ALA  63           HB2      ALA  64  -1.409  -9.099  -3.018
  513    HB3  ALA  63           HB3      ALA  64  -0.549  -8.081  -4.173
  514    H    ILE  64           HN       ILE  65   0.514  -6.378  -0.988
  515    HA   ILE  64           HA       ILE  65   2.006  -4.650  -2.599
  516    HB   ILE  64           HB       ILE  65   1.078  -4.584   0.219
  517   HG12  ILE  64          HG12      ILE  65   0.768  -2.112  -1.059
  518   HG13  ILE  64          HG11      ILE  65   0.513  -3.314  -2.313
  519   HG21  ILE  64          HG21      ILE  65   3.400  -3.867   0.447
  520   HG22  ILE  64          HG22      ILE  65   2.278  -2.534   0.723
  521   HG23  ILE  64          HG23      ILE  65   3.151  -2.651  -0.806
  522   HD11  ILE  64          HD11      ILE  65  -1.220  -4.355  -1.033
  523   HD12  ILE  64          HD12      ILE  65  -1.558  -2.633  -1.207
  524   HD13  ILE  64          HD13      ILE  65  -0.928  -3.259   0.317
  525    H    ARG  65           HN       ARG  66   3.079  -6.575   0.234
  526    HA   ARG  65           HA       ARG  66   5.734  -5.611   0.082
  527    HB2  ARG  65           HB2      ARG  66   6.314  -7.680   1.422
  528    HB3  ARG  65           HB1      ARG  66   5.218  -6.528   2.164
  529    HG2  ARG  65           HG2      ARG  66   3.969  -8.308   2.638
  530    HG3  ARG  65           HG1      ARG  66   3.534  -8.317   0.928
  531    HD2  ARG  65           HD2      ARG  66   5.129  -9.960   0.416
  532    HD3  ARG  65           HD1      ARG  66   5.997  -9.712   1.931
  533    HE   ARG  65           HE       ARG  66   3.570 -10.556   2.762
  534   HH11  ARG  65          HH11      ARG  66   5.869 -11.845   0.454
  535   HH12  ARG  65          HH12      ARG  66   5.419 -13.495   0.737
  536   HH21  ARG  65          HH21      ARG  66   3.003 -12.715   3.162
  537   HH22  ARG  65          HH22      ARG  66   3.783 -13.994   2.286
  538    H    GLN  66           HN       GLN  67   4.141  -8.352  -1.378
  539    HA   GLN  66           HA       GLN  67   6.422  -9.564  -2.504
  540    HB2  GLN  66           HB2      GLN  67   3.545  -9.550  -3.383
  541    HB3  GLN  66           HB1      GLN  67   4.787 -10.557  -4.120
  542    HG2  GLN  66           HG2      GLN  67   5.201 -11.622  -1.963
  543    HG3  GLN  66           HG1      GLN  67   3.947 -10.632  -1.240
  544   HE21  GLN  66          HE21      GLN  67   3.740 -12.001  -4.447
  545   HE22  GLN  66          HE22      GLN  67   2.467 -13.116  -4.100
  546    H    ALA  67           HN       ALA  68   4.390  -6.920  -3.590
  547    HA   ALA  67           HA       ALA  68   5.480  -6.680  -6.193
  548    HB1  ALA  67           HB1      ALA  68   4.149  -4.682  -4.379
  549    HB2  ALA  67           HB2      ALA  68   3.409  -5.603  -5.688
  550    HB3  ALA  67           HB3      ALA  68   4.589  -4.342  -6.053
  551    H    LEU  68           HN       LEU  69   6.595  -5.804  -3.051
  552    HA   LEU  68           HA       LEU  69   8.750  -4.137  -4.067
  553    HB2  LEU  68           HB2      LEU  69   8.063  -5.069  -1.284
  554    HB3  LEU  68           HB1      LEU  69   9.366  -3.960  -1.678
  555    HG   LEU  68           HG       LEU  69   6.473  -3.408  -2.277
  556   HD11  LEU  68          HD11      LEU  69   6.858  -3.596   0.129
  557   HD12  LEU  68          HD12      LEU  69   6.475  -1.945  -0.360
  558   HD13  LEU  68          HD13      LEU  69   8.142  -2.394   0.004
  559   HD21  LEU  68          HD21      LEU  69   8.984  -1.847  -2.480
  560   HD22  LEU  68          HD22      LEU  69   7.420  -1.057  -2.377
  561   HD23  LEU  68          HD23      LEU  69   7.779  -2.140  -3.722
  562    H    GLU  69           HN       GLU  70   8.152  -7.356  -2.904
  563    HA   GLU  69           HA       GLU  70  10.959  -8.043  -2.737
  564    HB2  GLU  69           HB2      GLU  70   8.413  -9.613  -2.285
  565    HB3  GLU  69           HB1      GLU  70  10.017 -10.338  -2.200
  566    HG2  GLU  69           HG2      GLU  70   8.998  -8.090  -0.480
  567    HG3  GLU  69           HG1      GLU  70   9.176  -9.775   0.006
  Start of MODEL   20
    1    H1   MET   0           HT1      MET   1 -15.559  19.160   5.689
    2    H2   MET   0           HT2      MET   1 -15.991  17.596   6.154
    3    H3   MET   0           HT3      MET   1 -17.008  18.487   5.138
    4    HA   MET   0           HA       MET   1 -15.766  16.792   3.932
    5    HB2  MET   0           HB2      MET   1 -14.991  18.216   2.129
    6    HB3  MET   0           HB1      MET   1 -16.468  18.888   2.805
    7    HG2  MET   0           HG2      MET   1 -15.213  20.552   4.010
    8    HG3  MET   0           HG1      MET   1 -13.692  19.833   3.486
    9    HE1  MET   0           HE1      MET   1 -16.655  21.999   0.680
   10    HE2  MET   0           HE2      MET   1 -16.881  21.841   2.421
   11    HE3  MET   0           HE3      MET   1 -16.994  20.419   1.386
   12    H    GLY   1           HN       GLY   2 -13.599  16.393   2.866
   13    HA2  GLY   1           HA2      GLY   2 -11.256  16.442   2.868
   14    HA3  GLY   1           HA1      GLY   2 -11.298  17.423   4.325
   15    H    LYS   2           HN       LYS   3 -13.356  14.780   4.559
   16    HA   LYS   2           HA       LYS   3 -11.499  13.511   6.416
   17    HB2  LYS   2           HB2      LYS   3 -14.458  13.098   5.958
   18    HB3  LYS   2           HB1      LYS   3 -13.504  12.235   7.155
   19    HG2  LYS   2           HG2      LYS   3 -13.009  14.340   8.287
   20    HG3  LYS   2           HG1      LYS   3 -13.958  15.210   7.081
   21    HD2  LYS   2           HD2      LYS   3 -15.268  14.863   9.096
   22    HD3  LYS   2           HD1      LYS   3 -15.952  13.947   7.755
   23    HE2  LYS   2           HE2      LYS   3 -14.899  11.915   8.585
   24    HE3  LYS   2           HE1      LYS   3 -14.150  12.822   9.897
   25    HZ1  LYS   2           HZ1      LYS   3 -16.328  13.307  10.781
   26    HZ2  LYS   2           HZ2      LYS   3 -16.149  11.636  10.605
   27    HZ3  LYS   2           HZ3      LYS   3 -17.076  12.508   9.494
   28    H    GLU   3           HN       GLU   4 -10.799  11.458   6.237
   29    HA   GLU   3           HA       GLU   4 -10.854  10.200   3.667
   30    HB2  GLU   3           HB2      GLU   4  -9.863   9.120   6.315
   31    HB3  GLU   3           HB1      GLU   4  -9.463   8.495   4.721
   32    HG2  GLU   3           HG2      GLU   4  -8.271  10.517   4.178
   33    HG3  GLU   3           HG1      GLU   4  -8.758  11.249   5.704
   34    HA   PRO   4           HA       PRO   5 -14.692   8.083   4.168
   35    HB2  PRO   4           HB2      PRO   5 -13.505   5.953   2.490
   36    HB3  PRO   4           HB1      PRO   5 -14.960   6.910   2.224
   37    HG2  PRO   4           HG2      PRO   5 -12.755   7.358   0.795
   38    HG3  PRO   4           HG1      PRO   5 -13.795   8.694   1.325
   39    HD2  PRO   4           HD2      PRO   5 -11.186   7.760   2.446
   40    HD3  PRO   4           HD1      PRO   5 -11.784   9.418   2.210
   41    HA   PRO   5           HA       PRO   6 -13.813   5.438   7.572
   42    HB2  PRO   5           HB2      PRO   6 -16.511   4.314   7.218
   43    HB3  PRO   5           HB1      PRO   6 -15.833   5.203   8.583
   44    HG2  PRO   5           HG2      PRO   6 -17.649   6.304   6.941
   45    HG3  PRO   5           HG1      PRO   6 -16.345   7.256   7.673
   46    HD2  PRO   5           HD2      PRO   6 -16.577   6.187   4.887
   47    HD3  PRO   5           HD1      PRO   6 -15.947   7.746   5.454
   48    H    TYR   6           HN       TYR   7 -14.143   4.274   4.484
   49    HA   TYR   6           HA       TYR   7 -13.993   1.477   5.345
   50    HB2  TYR   6           HB2      TYR   7 -14.703   2.689   2.691
   51    HB3  TYR   6           HB1      TYR   7 -14.375   0.973   2.895
   52    HD1  TYR   6           HD1      TYR   7 -15.769  -0.209   4.780
   53    HD2  TYR   6           HD2      TYR   7 -16.886   3.443   2.907
   54    HE1  TYR   6           HE1      TYR   7 -18.105  -0.587   5.448
   55    HE2  TYR   6           HE2      TYR   7 -19.223   3.074   3.571
   56    HH   TYR   6           HH       TYR   7 -20.148   0.782   5.855
   57    H    VAL   7           HN       VAL   8 -11.932   3.953   4.634
   58    HA   VAL   7           HA       VAL   8  -9.994   2.380   3.197
   59    HB   VAL   7           HB       VAL   8  -8.475   4.251   3.502
   60   HG11  VAL   7          HG11      VAL   8  -9.869   4.428   1.622
   61   HG12  VAL   7          HG12      VAL   8  -9.833   6.025   2.365
   62   HG13  VAL   7          HG13      VAL   8 -11.235   4.977   2.591
   63   HG21  VAL   7          HG21      VAL   8 -10.647   5.525   5.153
   64   HG22  VAL   7          HG22      VAL   8  -9.154   6.307   4.633
   65   HG23  VAL   7          HG23      VAL   8  -9.091   4.943   5.748
   66    H    SER   8           HN       SER   9  -8.350   1.244   4.033
   67    HA   SER   8           HA       SER   9  -7.746   1.622   6.892
   68    HB2  SER   8           HB2      SER   9  -7.473  -0.965   5.330
   69    HB3  SER   8           HB1      SER   9  -7.099  -0.733   7.036
   70    HG   SER   8           HG       SER   9  -9.553  -1.038   5.784
   71    H    SER   9           HN       SER  10  -5.881   2.668   7.058
   72    HA   SER   9           HA       SER  10  -3.992   2.644   4.874
   73    HB2  SER   9           HB2      SER  10  -4.579   4.706   6.221
   74    HB3  SER   9           HB1      SER  10  -3.691   3.995   7.565
   75    HG   SER   9           HG       SER  10  -2.340   5.365   6.408
   76    H    LEU  10           HN       LEU  11  -2.630   1.032   4.668
   77    HA   LEU  10           HA       LEU  11  -1.830  -0.526   7.009
   78    HB2  LEU  10           HB2      LEU  11  -1.087  -1.120   4.159
   79    HB3  LEU  10           HB1      LEU  11  -1.193  -2.236   5.503
   80    HG   LEU  10           HG       LEU  11  -3.446  -1.007   3.926
   81   HD11  LEU  10          HD11      LEU  11  -2.626  -3.857   4.448
   82   HD12  LEU  10          HD12      LEU  11  -2.398  -2.958   2.948
   83   HD13  LEU  10          HD13      LEU  11  -4.026  -3.341   3.507
   84   HD21  LEU  10          HD21      LEU  11  -3.643  -2.573   6.495
   85   HD22  LEU  10          HD22      LEU  11  -4.992  -2.208   5.427
   86   HD23  LEU  10          HD23      LEU  11  -4.129  -0.902   6.237
   87    H    ARG  11           HN       ARG  12   0.135  -0.300   7.908
   88    HA   ARG  11           HA       ARG  12   2.090   1.419   6.618
   89    HB2  ARG  11           HB2      ARG  12   1.689   1.727   9.010
   90    HB3  ARG  11           HB1      ARG  12   2.138   0.056   9.318
   91    HG2  ARG  11           HG2      ARG  12   4.395   0.605   8.351
   92    HG3  ARG  11           HG1      ARG  12   3.906   2.300   8.422
   93    HD2  ARG  11           HD2      ARG  12   3.830   0.457  10.796
   94    HD3  ARG  11           HD1      ARG  12   5.219   1.448  10.388
   95    HE   ARG  11           HE       ARG  12   2.916   3.064  10.513
   96   HH11  ARG  11          HH11      ARG  12   5.102   1.294  12.590
   97   HH12  ARG  11          HH12      ARG  12   4.856   2.338  13.951
   98   HH21  ARG  11          HH21      ARG  12   2.576   4.428  12.290
   99   HH22  ARG  11          HH22      ARG  12   3.405   4.120  13.785
  100    H    ILE  12           HN       ILE  13   3.131   0.395   5.016
  101    HA   ILE  12           HA       ILE  13   4.026  -2.356   5.375
  102    HB   ILE  12           HB       ILE  13   4.850  -0.834   2.970
  103   HG12  ILE  12          HG12      ILE  13   2.551  -0.023   3.272
  104   HG13  ILE  12          HG11      ILE  13   2.680  -1.076   1.874
  105   HG21  ILE  12          HG21      ILE  13   3.685  -3.574   3.410
  106   HG22  ILE  12          HG22      ILE  13   5.398  -3.182   3.263
  107   HG23  ILE  12          HG23      ILE  13   4.321  -2.959   1.885
  108   HD11  ILE  12          HD11      ILE  13   1.742  -2.929   3.261
  109   HD12  ILE  12          HD12      ILE  13   0.645  -1.570   3.032
  110   HD13  ILE  12          HD13      ILE  13   1.502  -1.761   4.560
  111    H    GLU  13           HN       GLU  14   6.035  -2.866   5.961
  112    HA   GLU  13           HA       GLU  14   7.969  -0.799   6.452
  113    HB2  GLU  13           HB2      GLU  14   8.087  -3.805   6.698
  114    HB3  GLU  13           HB1      GLU  14   9.421  -2.740   7.125
  115    HG2  GLU  13           HG2      GLU  14   8.179  -1.738   8.872
  116    HG3  GLU  13           HG1      GLU  14   6.683  -2.492   8.332
  117    H    ILE  14           HN       ILE  15   9.067   0.075   4.851
  118    HA   ILE  14           HA       ILE  15   9.342  -1.141   2.299
  119    HB   ILE  14           HB       ILE  15  10.742   1.282   3.446
  120   HG12  ILE  14          HG12      ILE  15   8.314   1.047   1.669
  121   HG13  ILE  14          HG11      ILE  15   8.304   1.496   3.368
  122   HG21  ILE  14          HG21      ILE  15  11.756   0.061   1.397
  123   HG22  ILE  14          HG22      ILE  15  11.533   1.811   1.335
  124   HG23  ILE  14          HG23      ILE  15  10.382   0.748   0.526
  125   HD11  ILE  14          HD11      ILE  15   8.138   3.358   1.672
  126   HD12  ILE  14          HD12      ILE  15   9.835   3.058   1.331
  127   HD13  ILE  14          HD13      ILE  15   9.331   3.547   2.949
  128    HA   PRO  15           HA       PRO  16  13.044  -3.551   2.920
  129    HB2  PRO  15           HB2      PRO  16  13.621  -2.934   0.101
  130    HB3  PRO  15           HB1      PRO  16  13.369  -4.495   0.875
  131    HG2  PRO  15           HG2      PRO  16  11.558  -3.365  -0.792
  132    HG3  PRO  15           HG1      PRO  16  11.109  -4.450   0.527
  133    HD2  PRO  15           HD2      PRO  16  10.854  -1.502   0.330
  134    HD3  PRO  15           HD1      PRO  16   9.856  -2.667   1.213
  135    H    ALA  16           HN       ALA  17  15.344  -3.224   2.891
  136    HA   ALA  16           HA       ALA  17  16.089  -0.508   3.368
  137    HB1  ALA  16           HB1      ALA  17  17.817  -2.973   3.191
  138    HB2  ALA  16           HB2      ALA  17  17.058  -2.345   4.653
  139    HB3  ALA  16           HB3      ALA  17  18.309  -1.408   3.839
  140    H    ASP  17           HN       ASP  18  16.535  -2.800   0.754
  141    HA   ASP  17           HA       ASP  18  18.350  -1.138  -0.726
  142    HB2  ASP  17           HB2      ASP  18  18.337  -3.599  -0.968
  143    HB3  ASP  17           HB1      ASP  18  16.715  -3.516  -1.646
  144    H    ILE  18           HN       ILE  19  14.910  -1.879  -0.858
  145    HA   ILE  18           HA       ILE  19  14.384  -0.433  -3.232
  146    HB   ILE  18           HB       ILE  19  12.636  -1.569  -1.076
  147   HG12  ILE  18          HG12      ILE  19  11.769  -2.947  -2.880
  148   HG13  ILE  18          HG11      ILE  19  12.683  -2.033  -4.064
  149   HG21  ILE  18          HG21      ILE  19  11.564   0.529  -1.640
  150   HG22  ILE  18          HG22      ILE  19  10.640  -0.822  -2.297
  151   HG23  ILE  18          HG23      ILE  19  11.665   0.145  -3.358
  152   HD11  ILE  18          HD11      ILE  19  13.974  -3.622  -1.877
  153   HD12  ILE  18          HD12      ILE  19  14.730  -2.940  -3.315
  154   HD13  ILE  18          HD13      ILE  19  13.597  -4.283  -3.466
  155    H    ALA  19           HN       ALA  20  13.949   1.673  -3.557
  156    HA   ALA  19           HA       ALA  20  14.455   3.487  -1.371
  157    HB1  ALA  19           HB1      ALA  20  14.202   5.237  -3.144
  158    HB2  ALA  19           HB2      ALA  20  13.922   3.932  -4.299
  159    HB3  ALA  19           HB3      ALA  20  15.465   4.042  -3.451
  160    H    ALA  20           HN       ALA  21  13.077   4.937  -0.480
  161    HA   ALA  20           HA       ALA  21  10.241   4.386  -0.708
  162    HB1  ALA  20           HB1      ALA  21  10.035   5.922   1.185
  163    HB2  ALA  20           HB2      ALA  21  11.740   6.337   1.040
  164    HB3  ALA  20           HB3      ALA  21  11.267   4.701   1.496
  165    H    ASN  21           HN       ASN  22   9.606   5.200  -2.723
  166    HA   ASN  21           HA       ASN  22   9.467   8.077  -2.935
  167    HB2  ASN  21           HB2      ASN  22  10.655   8.296  -5.014
  168    HB3  ASN  21           HB1      ASN  22  11.718   7.497  -3.864
  169   HD21  ASN  21          HD21      ASN  22  12.166   5.287  -4.134
  170   HD22  ASN  21          HD22      ASN  22  11.920   4.497  -5.652
  171    H    GLU  22           HN       GLU  23   8.679   8.418  -5.509
  172    HA   GLU  22           HA       GLU  23   5.985   7.629  -5.375
  173    HB2  GLU  22           HB2      GLU  23   6.907   9.637  -6.552
  174    HB3  GLU  22           HB1      GLU  23   7.486   8.570  -7.824
  175    HG2  GLU  22           HG2      GLU  23   5.189   7.878  -8.283
  176    HG3  GLU  22           HG1      GLU  23   4.616   8.959  -7.014
  177    H    ALA  23           HN       ALA  24   8.732   6.158  -7.051
  178    HA   ALA  23           HA       ALA  24   7.321   4.459  -8.781
  179    HB1  ALA  23           HB1      ALA  24   9.753   4.818  -8.901
  180    HB2  ALA  23           HB2      ALA  24   9.332   3.107  -8.866
  181    HB3  ALA  23           HB3      ALA  24   9.950   3.892  -7.413
  182    H    LEU  24           HN       LEU  25   8.283   4.066  -5.414
  183    HA   LEU  24           HA       LEU  25   7.311   1.460  -5.006
  184    HB2  LEU  24           HB2      LEU  25   8.766   2.673  -3.411
  185    HB3  LEU  24           HB1      LEU  25   7.452   3.774  -3.062
  186    HG   LEU  24           HG       LEU  25   6.954   0.879  -2.594
  187   HD11  LEU  24          HD11      LEU  25   8.522   2.571  -0.651
  188   HD12  LEU  24          HD12      LEU  25   9.248   1.347  -1.698
  189   HD13  LEU  24          HD13      LEU  25   8.062   0.876  -0.481
  190   HD21  LEU  24          HD21      LEU  25   6.269   3.389  -1.069
  191   HD22  LEU  24          HD22      LEU  25   5.692   1.762  -0.709
  192   HD23  LEU  24          HD23      LEU  25   5.213   2.556  -2.209
  193    H    LYS  25           HN       LYS  26   5.831   4.630  -4.759
  194    HA   LYS  25           HA       LYS  26   3.348   3.886  -3.729
  195    HB2  LYS  25           HB2      LYS  26   4.038   6.189  -3.754
  196    HB3  LYS  25           HB1      LYS  26   4.147   6.186  -5.506
  197    HG2  LYS  25           HG2      LYS  26   1.674   5.689  -5.522
  198    HG3  LYS  25           HG1      LYS  26   1.688   6.068  -3.803
  199    HD2  LYS  25           HD2      LYS  26   2.649   8.284  -4.351
  200    HD3  LYS  25           HD1      LYS  26   2.477   7.889  -6.063
  201    HE2  LYS  25           HE2      LYS  26   0.083   7.631  -5.800
  202    HE3  LYS  25           HE1      LYS  26   0.211   7.954  -4.077
  203    HZ1  LYS  25           HZ1      LYS  26   0.805   9.847  -6.286
  204    HZ2  LYS  25           HZ2      LYS  26   1.076  10.178  -4.654
  205    HZ3  LYS  25           HZ3      LYS  26  -0.498   9.927  -5.212
  206    H    VAL  26           HN       VAL  27   4.318   4.436  -7.111
  207    HA   VAL  26           HA       VAL  27   1.717   3.989  -8.119
  208    HB   VAL  26           HB       VAL  27   2.723   3.978 -10.346
  209   HG11  VAL  26          HG11      VAL  27   3.832   6.078  -8.496
  210   HG12  VAL  26          HG12      VAL  27   2.250   6.100  -9.277
  211   HG13  VAL  26          HG13      VAL  27   3.715   6.226 -10.250
  212   HG21  VAL  26          HG21      VAL  27   4.739   2.737  -9.962
  213   HG22  VAL  26          HG22      VAL  27   5.337   3.968  -8.852
  214   HG23  VAL  26          HG23      VAL  27   5.171   4.336 -10.569
  215    H    ARG  27           HN       ARG  28   4.428   1.816  -7.572
  216    HA   ARG  27           HA       ARG  28   3.275  -0.303  -9.110
  217    HB2  ARG  27           HB2      ARG  28   5.053  -1.654  -8.398
  218    HB3  ARG  27           HB1      ARG  28   5.739  -0.044  -8.509
  219    HG2  ARG  27           HG2      ARG  28   5.579   0.208  -6.097
  220    HG3  ARG  27           HG1      ARG  28   4.846  -1.391  -5.975
  221    HD2  ARG  27           HD2      ARG  28   7.654  -0.670  -6.752
  222    HD3  ARG  27           HD1      ARG  28   7.105  -1.726  -5.450
  223    HE   ARG  27           HE       ARG  28   6.239  -3.117  -7.496
  224   HH11  ARG  27          HH11      ARG  28   9.275  -1.384  -7.243
  225   HH12  ARG  27          HH12      ARG  28  10.133  -2.486  -8.271
  226   HH21  ARG  27          HH21      ARG  28   7.375  -4.560  -8.857
  227   HH22  ARG  27          HH22      ARG  28   9.057  -4.286  -9.185
  228    H    LEU  28           HN       LEU  29   3.209   0.624  -5.695
  229    HA   LEU  28           HA       LEU  29   1.681  -1.629  -4.872
  230    HB2  LEU  28           HB2      LEU  29   2.003   1.075  -3.574
  231    HB3  LEU  28           HB1      LEU  29   1.293  -0.338  -2.815
  232    HG   LEU  28           HG       LEU  29   4.162   0.083  -3.605
  233   HD11  LEU  28          HD11      LEU  29   3.586   1.025  -1.486
  234   HD12  LEU  28          HD12      LEU  29   4.543  -0.432  -1.220
  235   HD13  LEU  28          HD13      LEU  29   2.795  -0.468  -0.986
  236   HD21  LEU  28          HD21      LEU  29   2.699  -2.430  -3.011
  237   HD22  LEU  28          HD22      LEU  29   4.395  -2.270  -2.575
  238   HD23  LEU  28          HD23      LEU  29   3.895  -2.108  -4.259
  239    H    LEU  29           HN       LEU  30   0.940   1.514  -6.184
  240    HA   LEU  29           HA       LEU  30  -1.825   1.578  -5.670
  241    HB2  LEU  29           HB2      LEU  30  -0.024   2.856  -7.678
  242    HB3  LEU  29           HB1      LEU  30  -1.756   2.979  -7.891
  243    HG   LEU  29           HG       LEU  30  -0.263   3.889  -5.433
  244   HD11  LEU  29          HD11      LEU  30   0.380   5.412  -7.046
  245   HD12  LEU  29          HD12      LEU  30  -1.065   6.159  -6.362
  246   HD13  LEU  29          HD13      LEU  30  -1.157   5.310  -7.904
  247   HD21  LEU  29          HD21      LEU  30  -2.241   4.046  -4.458
  248   HD22  LEU  29          HD22      LEU  30  -3.005   3.332  -5.878
  249   HD23  LEU  29          HD23      LEU  30  -2.820   5.083  -5.760
  250    H    GLU  30           HN       GLU  31  -0.102  -0.634  -7.494
  251    HA   GLU  30           HA       GLU  31  -2.304  -1.128  -9.365
  252    HB2  GLU  30           HB2      GLU  31   0.412  -2.447  -9.235
  253    HB3  GLU  30           HB1      GLU  31  -0.778  -2.634 -10.515
  254    HG2  GLU  30           HG2      GLU  31  -0.538  -0.251 -11.055
  255    HG3  GLU  30           HG1      GLU  31   0.703  -0.112  -9.810
  256    H    THR  31           HN       THR  32  -2.124  -1.791  -6.349
  257    HA   THR  31           HA       THR  32  -2.287  -4.705  -6.473
  258    HB   THR  31           HB       THR  32  -2.469  -2.959  -4.016
  259    HG1  THR  31           HG1      THR  32  -0.479  -2.497  -4.798
  260   HG21  THR  31          HG21      THR  32  -2.826  -4.908  -3.010
  261   HG22  THR  31          HG22      THR  32  -1.199  -5.386  -3.477
  262   HG23  THR  31          HG23      THR  32  -2.570  -5.796  -4.507
  263    H    GLU  32           HN       GLU  33  -4.164  -5.839  -5.804
  264    HA   GLU  32           HA       GLU  33  -6.528  -4.570  -6.741
  265    HB2  GLU  32           HB2      GLU  33  -5.990  -6.993  -7.058
  266    HB3  GLU  32           HB1      GLU  33  -6.323  -7.238  -5.348
  267    HG2  GLU  32           HG2      GLU  33  -8.235  -7.861  -6.699
  268    HG3  GLU  32           HG1      GLU  33  -8.616  -6.475  -5.677
  269    H    GLY  33           HN       GLY  34  -7.603  -3.138  -5.600
  270    HA2  GLY  33           HA2      GLY  34  -9.253  -2.784  -3.887
  271    HA3  GLY  33           HA1      GLY  34  -8.309  -3.816  -2.827
  272    H    VAL  34           HN       VAL  35  -6.503  -1.567  -4.681
  273    HA   VAL  34           HA       VAL  35  -5.795  -0.150  -2.252
  274    HB   VAL  34           HB       VAL  35  -4.105   0.990  -3.614
  275   HG11  VAL  34          HG11      VAL  35  -3.460  -1.077  -2.635
  276   HG12  VAL  34          HG12      VAL  35  -2.783  -0.999  -4.257
  277   HG13  VAL  34          HG13      VAL  35  -4.209  -1.987  -3.942
  278   HG21  VAL  34          HG21      VAL  35  -5.339   1.155  -5.709
  279   HG22  VAL  34          HG22      VAL  35  -5.232  -0.594  -5.917
  280   HG23  VAL  34          HG23      VAL  35  -3.770   0.390  -5.959
  281    H    LYS  35           HN       LYS  36  -6.175   1.934  -1.780
  282    HA   LYS  35           HA       LYS  36  -7.933   3.432  -3.601
  283    HB2  LYS  35           HB2      LYS  36  -7.641   3.381  -0.620
  284    HB3  LYS  35           HB1      LYS  36  -8.286   4.809  -1.410
  285    HG2  LYS  35           HG2      LYS  36  -9.422   2.054  -1.761
  286    HG3  LYS  35           HG1      LYS  36  -9.997   3.209  -0.566
  287    HD2  LYS  35           HD2      LYS  36 -10.412   4.798  -2.433
  288    HD3  LYS  35           HD1      LYS  36 -10.016   3.505  -3.557
  289    HE2  LYS  35           HE2      LYS  36 -11.844   2.163  -2.685
  290    HE3  LYS  35           HE1      LYS  36 -12.219   3.417  -1.504
  291    HZ1  LYS  35           HZ1      LYS  36 -12.369   3.735  -4.453
  292    HZ2  LYS  35           HZ2      LYS  36 -12.765   4.917  -3.308
  293    HZ3  LYS  35           HZ3      LYS  36 -13.689   3.506  -3.421
  294    H    GLU  36           HN       GLU  37  -5.016   3.581  -1.643
  295    HA   GLU  36           HA       GLU  37  -3.857   5.645  -3.188
  296    HB2  GLU  36           HB2      GLU  37  -5.445   7.067  -2.090
  297    HB3  GLU  36           HB1      GLU  37  -5.058   6.389  -0.520
  298    HG2  GLU  36           HG2      GLU  37  -2.964   7.461  -0.479
  299    HG3  GLU  36           HG1      GLU  37  -3.084   7.923  -2.178
  300    H    VAL  37           HN       VAL  38  -1.684   5.813  -2.783
  301    HA   VAL  37           HA       VAL  38  -0.648   4.186  -0.547
  302    HB   VAL  37           HB       VAL  38   0.619   4.551  -3.268
  303   HG11  VAL  37          HG11      VAL  38   2.287   4.441  -1.499
  304   HG12  VAL  37          HG12      VAL  38   2.298   2.952  -2.447
  305   HG13  VAL  37          HG13      VAL  38   1.535   2.983  -0.860
  306   HG21  VAL  37          HG21      VAL  38  -0.300   1.975  -2.052
  307   HG22  VAL  37          HG22      VAL  38   0.083   2.323  -3.735
  308   HG23  VAL  37          HG23      VAL  38  -1.386   2.974  -3.010
  309    H    LEU  38           HN       LEU  39   0.607   5.191   0.846
  310    HA   LEU  38           HA       LEU  39   1.717   7.832   0.158
  311    HB2  LEU  38           HB2      LEU  39   0.686   6.653   2.695
  312    HB3  LEU  38           HB1      LEU  39   1.851   7.957   2.748
  313    HG   LEU  38           HG       LEU  39   0.256   9.363   1.447
  314   HD11  LEU  38          HD11      LEU  39  -1.610   7.049   1.936
  315   HD12  LEU  38          HD12      LEU  39  -1.049   7.632   0.370
  316   HD13  LEU  38          HD13      LEU  39  -2.094   8.645   1.364
  317   HD21  LEU  38          HD21      LEU  39   0.505   9.116   3.991
  318   HD22  LEU  38          HD22      LEU  39  -1.082   8.348   3.913
  319   HD23  LEU  38          HD23      LEU  39  -0.874  10.009   3.349
  320    H    ILE  39           HN       ILE  40   3.865   8.196   0.400
  321    HA   ILE  39           HA       ILE  40   5.484   6.010   1.504
  322    HB   ILE  39           HB       ILE  40   6.133   8.289  -0.333
  323   HG12  ILE  39          HG12      ILE  40   7.293   6.560  -1.603
  324   HG13  ILE  39          HG11      ILE  40   6.969   5.382  -0.341
  325   HG21  ILE  39          HG21      ILE  40   7.998   7.038   1.643
  326   HG22  ILE  39          HG22      ILE  40   7.854   8.726   1.134
  327   HG23  ILE  39          HG23      ILE  40   8.601   7.543   0.060
  328   HD11  ILE  39          HD11      ILE  40   4.710   5.280  -0.875
  329   HD12  ILE  39          HD12      ILE  40   5.529   5.332  -2.434
  330   HD13  ILE  39          HD13      ILE  40   4.760   6.783  -1.792
  331    H    ALA  40           HN       ALA  41   6.027   6.165   3.537
  332    HA   ALA  40           HA       ALA  41   6.301   8.806   4.793
  333    HB1  ALA  40           HB1      ALA  41   6.137   6.060   6.026
  334    HB2  ALA  40           HB2      ALA  41   4.807   7.214   5.918
  335    HB3  ALA  40           HB3      ALA  41   6.217   7.583   6.914
  336    H    GLU  41           HN       GLU  42   8.335   9.333   3.965
  337    HA   GLU  41           HA       GLU  42  10.414   7.457   3.653
  338    HB2  GLU  41           HB2      GLU  42   9.948   9.971   2.742
  339    HB3  GLU  41           HB1      GLU  42  11.201  10.281   3.939
  340    HG2  GLU  41           HG2      GLU  42  12.635   8.622   2.848
  341    HG3  GLU  41           HG1      GLU  42  11.377   8.356   1.638
  342    H    GLU  42           HN       GLU  43   9.679   9.779   6.206
  343    HA   GLU  42           HA       GLU  43  12.074   9.406   7.682
  344    HB2  GLU  42           HB2      GLU  43  10.602  11.355   7.977
  345    HB3  GLU  42           HB1      GLU  43   9.342  10.313   8.618
  346    HG2  GLU  42           HG2      GLU  43  10.816   9.734  10.497
  347    HG3  GLU  42           HG1      GLU  43  12.027  10.843   9.854
  348    H    GLU  43           HN       GLU  44   9.057   7.699   7.508
  349    HA   GLU  43           HA       GLU  44   9.605   6.082   9.861
  350    HB2  GLU  43           HB2      GLU  44   7.307   6.857   9.339
  351    HB3  GLU  43           HB1      GLU  44   7.354   5.953   7.840
  352    HG2  GLU  43           HG2      GLU  44   6.064   4.784   9.501
  353    HG3  GLU  43           HG1      GLU  44   7.514   3.873   9.095
  354    H    HIS  44           HN       HIS  45  10.469   6.104   6.654
  355    HA   HIS  44           HA       HIS  45  11.140   4.619   5.067
  356    HB2  HIS  44           HB2      HIS  45  12.780   4.198   7.023
  357    HB3  HIS  44           HB1      HIS  45  11.848   2.736   7.323
  358    HD1  HIS  44           HD1      HIS  45  14.381   4.200   5.041
  359    HD2  HIS  44           HD2      HIS  45  12.109   0.732   5.310
  360    HE1  HIS  44           HE1      HIS  45  15.408   2.592   3.408
  361    HE2  HIS  44           HE2      HIS  45  13.901   0.574   3.449
  362    H    SER  45           HN       SER  46   8.444   4.604   5.715
  363    HA   SER  45           HA       SER  46   7.712   1.827   5.152
  364    HB2  SER  45           HB2      SER  46   6.402   3.576   7.254
  365    HB3  SER  45           HB1      SER  46   5.837   1.977   6.757
  366    HG   SER  45           HG       SER  46   8.474   2.366   7.699
  367    H    ALA  46           HN       ALA  47   5.465   1.672   4.357
  368    HA   ALA  46           HA       ALA  47   4.625   4.123   2.935
  369    HB1  ALA  46           HB1      ALA  47   5.353   2.246   1.475
  370    HB2  ALA  46           HB2      ALA  47   3.675   2.711   1.229
  371    HB3  ALA  46           HB3      ALA  47   4.063   1.261   2.154
  372    H    TYR  47           HN       TYR  48   2.456   4.736   3.123
  373    HA   TYR  47           HA       TYR  48   0.808   2.953   4.782
  374    HB2  TYR  47           HB2      TYR  48   0.788   5.945   4.474
  375    HB3  TYR  47           HB1      TYR  48  -0.623   5.083   5.079
  376    HD1  TYR  47           HD2      TYR  48   2.872   6.001   5.779
  377    HD2  TYR  47           HD1      TYR  48  -0.628   4.094   7.270
  378    HE1  TYR  47           HE2      TYR  48   3.848   5.983   8.039
  379    HE2  TYR  47           HE1      TYR  48   0.339   4.071   9.529
  380    HH   TYR  47           HH       TYR  48   3.136   5.861  10.349
  381    H    VAL  48           HN       VAL  49  -0.261   1.691   3.481
  382    HA   VAL  48           HA       VAL  49  -1.329   2.777   0.972
  383    HB   VAL  48           HB       VAL  49  -1.153  -0.117   1.821
  384   HG11  VAL  48          HG11      VAL  49  -2.796   0.763  -0.005
  385   HG12  VAL  48          HG12      VAL  49  -1.845  -0.692  -0.300
  386   HG13  VAL  48          HG13      VAL  49  -1.343   0.845  -0.997
  387   HG21  VAL  48          HG21      VAL  49   1.076   0.948   1.657
  388   HG22  VAL  48          HG22      VAL  49   0.704   1.397  -0.009
  389   HG23  VAL  48          HG23      VAL  49   0.816  -0.304   0.440
  390    H    LYS  49           HN       LYS  50  -3.318   3.538   1.194
  391    HA   LYS  49           HA       LYS  50  -5.131   2.423   3.154
  392    HB2  LYS  49           HB2      LYS  50  -5.602   4.569   1.076
  393    HB3  LYS  49           HB1      LYS  50  -6.670   4.171   2.417
  394    HG2  LYS  49           HG2      LYS  50  -4.981   4.871   3.997
  395    HG3  LYS  49           HG1      LYS  50  -3.862   5.209   2.674
  396    HD2  LYS  49           HD2      LYS  50  -5.803   6.733   1.820
  397    HD3  LYS  49           HD1      LYS  50  -6.320   6.673   3.507
  398    HE2  LYS  49           HE2      LYS  50  -4.166   7.481   4.242
  399    HE3  LYS  49           HE1      LYS  50  -3.566   7.468   2.586
  400    HZ1  LYS  49           HZ1      LYS  50  -4.202   9.686   3.281
  401    HZ2  LYS  49           HZ2      LYS  50  -5.780   9.164   3.603
  402    HZ3  LYS  49           HZ3      LYS  50  -5.186   9.155   2.009
  403    H    ILE  50           HN       ILE  51  -6.426   0.777   2.757
  404    HA   ILE  50           HA       ILE  51  -6.853   0.028  -0.042
  405    HB   ILE  50           HB       ILE  51  -7.491  -2.186   0.780
  406   HG12  ILE  50          HG12      ILE  51  -6.609  -1.213   3.498
  407   HG13  ILE  50          HG11      ILE  51  -8.297  -1.360   3.022
  408   HG21  ILE  50          HG21      ILE  51  -4.906  -1.528   2.027
  409   HG22  ILE  50          HG22      ILE  51  -5.098  -1.374   0.293
  410   HG23  ILE  50          HG23      ILE  51  -5.337  -2.933   1.079
  411   HD11  ILE  50          HD11      ILE  51  -8.003  -3.753   2.702
  412   HD12  ILE  50          HD12      ILE  51  -7.567  -3.264   4.340
  413   HD13  ILE  50          HD13      ILE  51  -6.305  -3.607   3.157
  414    H    ASP  51           HN       ASP  52  -8.826  -0.873  -0.639
  415    HA   ASP  51           HA       ASP  52 -11.159   0.422   0.529
  416    HB2  ASP  51           HB2      ASP  52 -10.897   0.359  -1.934
  417    HB3  ASP  51           HB1      ASP  52 -10.892  -1.397  -1.883
  418    H    SER  52           HN       SER  53 -11.769  -0.569   2.355
  419    HA   SER  52           HA       SER  53 -11.176  -3.297   2.887
  420    HB2  SER  52           HB2      SER  53 -13.037  -1.484   4.428
  421    HB3  SER  52           HB1      SER  53 -12.206  -2.919   5.030
  422    HG   SER  52           HG       SER  53 -11.155  -0.387   4.373
  423    H    LYS  53           HN       LYS  54 -13.519  -2.128   0.919
  424    HA   LYS  53           HA       LYS  54 -15.599  -3.999   1.712
  425    HB2  LYS  53           HB2      LYS  54 -15.402  -2.024  -0.564
  426    HB3  LYS  53           HB1      LYS  54 -16.770  -3.100  -0.332
  427    HG2  LYS  53           HG2      LYS  54 -15.843  -1.041   1.659
  428    HG3  LYS  53           HG1      LYS  54 -17.169  -0.824   0.517
  429    HD2  LYS  53           HD2      LYS  54 -17.033  -2.940   2.666
  430    HD3  LYS  53           HD1      LYS  54 -17.966  -1.447   2.761
  431    HE2  LYS  53           HE2      LYS  54 -19.263  -2.158   0.796
  432    HE3  LYS  53           HE1      LYS  54 -18.347  -3.662   0.750
  433    HZ1  LYS  53           HZ1      LYS  54 -20.516  -3.885   1.849
  434    HZ2  LYS  53           HZ2      LYS  54 -20.026  -2.786   3.035
  435    HZ3  LYS  53           HZ3      LYS  54 -19.231  -4.270   2.879
  436    H    VAL  54           HN       VAL  55 -13.167  -3.588  -0.801
  437    HA   VAL  54           HA       VAL  55 -14.089  -6.023  -2.121
  438    HB   VAL  54           HB       VAL  55 -13.584  -4.057  -3.522
  439   HG11  VAL  54          HG11      VAL  55 -11.771  -3.105  -2.216
  440   HG12  VAL  54          HG12      VAL  55 -11.297  -3.343  -3.897
  441   HG13  VAL  54          HG13      VAL  55 -10.734  -4.461  -2.655
  442   HG21  VAL  54          HG21      VAL  55 -13.447  -6.258  -4.509
  443   HG22  VAL  54          HG22      VAL  55 -11.774  -6.420  -3.975
  444   HG23  VAL  54          HG23      VAL  55 -12.200  -5.216  -5.189
  445    H    THR  55           HN       THR  56 -11.363  -4.870  -0.208
  446    HA   THR  55           HA       THR  56 -10.123  -7.519  -0.554
  447    HB   THR  55           HB       THR  56  -8.975  -5.680  -1.859
  448    HG1  THR  55           HG1      THR  56  -7.060  -6.626  -1.492
  449   HG21  THR  55          HG21      THR  56  -9.235  -3.893  -0.179
  450   HG22  THR  55          HG22      THR  56  -7.552  -4.122  -0.654
  451   HG23  THR  55          HG23      THR  56  -8.127  -4.757   0.886
  452    H    ASN  56           HN       ASN  57  -8.165  -7.589   1.138
  453    HA   ASN  56           HA       ASN  57  -9.150  -6.714   3.763
  454    HB2  ASN  56           HB2      ASN  57  -9.883  -9.062   3.368
  455    HB3  ASN  56           HB1      ASN  57  -8.204  -9.515   3.116
  456   HD21  ASN  56          HD21      ASN  57  -8.282 -10.980   4.813
  457   HD22  ASN  56          HD22      ASN  57  -8.267 -10.466   6.465
  458    H    ARG  57           HN       ARG  58  -7.536  -6.153   5.180
  459    HA   ARG  57           HA       ARG  58  -5.251  -5.060   4.234
  460    HB2  ARG  57           HB2      ARG  58  -5.874  -4.398   6.378
  461    HB3  ARG  57           HB1      ARG  58  -5.986  -6.049   6.965
  462    HG2  ARG  57           HG2      ARG  58  -3.485  -6.190   6.719
  463    HG3  ARG  57           HG1      ARG  58  -3.498  -4.453   6.430
  464    HD2  ARG  57           HD2      ARG  58  -3.007  -4.972   8.765
  465    HD3  ARG  57           HD1      ARG  58  -4.523  -4.085   8.610
  466    HE   ARG  57           HE       ARG  58  -5.651  -6.285   8.858
  467   HH11  ARG  57          HH11      ARG  58  -2.384  -5.891  10.069
  468   HH12  ARG  57          HH12      ARG  58  -2.549  -7.133  11.268
  469   HH21  ARG  57          HH21      ARG  58  -5.871  -7.907  10.441
  470   HH22  ARG  57          HH22      ARG  58  -4.527  -8.284  11.476
  471    H    PHE  58           HN       PHE  59  -5.341  -8.265   5.850
  472    HA   PHE  58           HA       PHE  59  -2.545  -8.606   5.738
  473    HB2  PHE  58           HB2      PHE  59  -4.350  -9.852   7.145
  474    HB3  PHE  58           HB1      PHE  59  -4.474 -10.918   5.753
  475    HD1  PHE  58           HD1      PHE  59  -1.949 -11.594   4.862
  476    HD2  PHE  58           HD2      PHE  59  -3.095 -10.669   8.853
  477    HE1  PHE  58           HE1      PHE  59  -0.052 -12.910   5.707
  478    HE2  PHE  58           HE2      PHE  59  -1.196 -11.981   9.703
  479    HZ   PHE  58           HZ       PHE  59   0.328 -13.103   8.132
  480    H    GLU  59           HN       GLU  60  -5.131  -9.743   3.612
  481    HA   GLU  59           HA       GLU  60  -3.510 -11.336   1.935
  482    HB2  GLU  59           HB2      GLU  60  -6.187 -10.028   1.414
  483    HB3  GLU  59           HB1      GLU  60  -5.456 -11.252   0.387
  484    HG2  GLU  59           HG2      GLU  60  -6.277 -11.612   3.259
  485    HG3  GLU  59           HG1      GLU  60  -7.135 -12.221   1.843
  486    H    VAL  60           HN       VAL  61  -4.802  -8.057   1.552
  487    HA   VAL  60           HA       VAL  61  -3.567  -7.607  -0.963
  488    HB   VAL  60           HB       VAL  61  -5.560  -6.372  -0.152
  489   HG11  VAL  60          HG11      VAL  61  -4.610  -6.062   2.181
  490   HG12  VAL  60          HG12      VAL  61  -5.488  -4.710   1.477
  491   HG13  VAL  60          HG13      VAL  61  -3.725  -4.690   1.513
  492   HG21  VAL  60          HG21      VAL  61  -3.177  -4.733  -0.951
  493   HG22  VAL  60          HG22      VAL  61  -4.832  -4.127  -0.943
  494   HG23  VAL  60          HG23      VAL  61  -4.386  -5.461  -2.008
  495    H    GLU  61           HN       GLU  62  -2.651  -6.955   2.362
  496    HA   GLU  61           HA       GLU  62  -0.324  -5.470   2.065
  497    HB2  GLU  61           HB2      GLU  62  -1.620  -6.396   4.159
  498    HB3  GLU  61           HB1      GLU  62  -0.502  -7.734   4.021
  499    HG2  GLU  61           HG2      GLU  62   0.337  -4.875   4.322
  500    HG3  GLU  61           HG1      GLU  62   0.120  -5.986   5.661
  501    H    GLN  62           HN       GLN  63  -0.778  -8.992   2.002
  502    HA   GLN  62           HA       GLN  63   1.852  -9.766   1.563
  503    HB2  GLN  62           HB2      GLN  63   0.077 -11.385   2.016
  504    HB3  GLN  62           HB1      GLN  63  -0.666 -11.026   0.463
  505    HG2  GLN  62           HG2      GLN  63   1.346 -11.846  -0.672
  506    HG3  GLN  62           HG1      GLN  63   2.040 -12.264   0.893
  507   HE21  GLN  62          HE21      GLN  63  -0.330 -13.059  -1.499
  508   HE22  GLN  62          HE22      GLN  63  -0.742 -14.617  -0.870
  509    H    ALA  63           HN       ALA  64  -0.668  -9.001  -0.837
  510    HA   ALA  63           HA       ALA  64   0.930  -9.320  -3.114
  511    HB1  ALA  63           HB1      ALA  64  -1.377  -7.411  -2.731
  512    HB2  ALA  63           HB2      ALA  64  -1.507  -9.110  -3.194
  513    HB3  ALA  63           HB3      ALA  64  -0.721  -7.959  -4.275
  514    H    ILE  64           HN       ILE  65   0.498  -6.531  -0.982
  515    HA   ILE  64           HA       ILE  65   1.949  -4.697  -2.543
  516    HB   ILE  64           HB       ILE  65   1.080  -4.770   0.299
  517   HG12  ILE  64          HG12      ILE  65   0.691  -2.257  -0.898
  518   HG13  ILE  64          HG11      ILE  65   0.381  -3.441  -2.161
  519   HG21  ILE  64          HG21      ILE  65   3.398  -4.024   0.457
  520   HG22  ILE  64          HG22      ILE  65   2.265  -2.728   0.839
  521   HG23  ILE  64          HG23      ILE  65   3.072  -2.759  -0.728
  522   HD11  ILE  64          HD11      ILE  65  -1.238  -4.543  -0.747
  523   HD12  ILE  64          HD12      ILE  65  -1.647  -2.843  -0.984
  524   HD13  ILE  64          HD13      ILE  65  -0.929  -3.376   0.538
  525    H    ARG  65           HN       ARG  66   3.007  -6.761   0.209
  526    HA   ARG  65           HA       ARG  66   5.650  -5.792   0.192
  527    HB2  ARG  65           HB2      ARG  66   6.246  -7.922   1.375
  528    HB3  ARG  65           HB1      ARG  66   5.031  -6.928   2.159
  529    HG2  ARG  65           HG2      ARG  66   3.963  -8.876   2.406
  530    HG3  ARG  65           HG1      ARG  66   3.504  -8.655   0.718
  531    HD2  ARG  65           HD2      ARG  66   5.239 -10.075  -0.039
  532    HD3  ARG  65           HD1      ARG  66   6.036 -10.064   1.533
  533    HE   ARG  65           HE       ARG  66   3.580 -11.148   2.024
  534   HH11  ARG  65          HH11      ARG  66   6.214 -11.923  -0.152
  535   HH12  ARG  65          HH12      ARG  66   5.895 -13.626  -0.134
  536   HH21  ARG  65          HH21      ARG  66   3.162 -13.402   2.046
  537   HH22  ARG  65          HH22      ARG  66   4.156 -14.464   1.101
  538    H    GLN  66           HN       GLN  67   4.170  -8.455  -1.521
  539    HA   GLN  66           HA       GLN  67   6.480  -9.588  -2.619
  540    HB2  GLN  66           HB2      GLN  67   3.704  -9.404  -3.767
  541    HB3  GLN  66           HB1      GLN  67   4.974 -10.470  -4.370
  542    HG2  GLN  66           HG2      GLN  67   5.051 -11.648  -2.282
  543    HG3  GLN  66           HG1      GLN  67   3.918 -10.521  -1.565
  544   HE21  GLN  66          HE21      GLN  67   2.305 -10.419  -4.037
  545   HE22  GLN  66          HE22      GLN  67   1.409 -11.896  -4.058
  546    H    ALA  67           HN       ALA  68   4.481  -6.898  -3.748
  547    HA   ALA  67           HA       ALA  68   5.799  -6.446  -6.179
  548    HB1  ALA  67           HB1      ALA  68   4.473  -4.489  -4.316
  549    HB2  ALA  67           HB2      ALA  68   3.720  -5.337  -5.666
  550    HB3  ALA  67           HB3      ALA  68   4.964  -4.123  -5.968
  551    H    LEU  68           HN       LEU  69   6.547  -5.444  -2.890
  552    HA   LEU  68           HA       LEU  69   8.805  -3.831  -3.618
  553    HB2  LEU  68           HB2      LEU  69   8.012  -5.012  -0.960
  554    HB3  LEU  68           HB1      LEU  69   9.233  -3.777  -1.205
  555    HG   LEU  68           HG       LEU  69   6.316  -3.434  -1.851
  556   HD11  LEU  68          HD11      LEU  69   6.722  -3.685   0.548
  557   HD12  LEU  68          HD12      LEU  69   6.187  -2.059   0.127
  558   HD13  LEU  68          HD13      LEU  69   7.888  -2.367   0.475
  559   HD21  LEU  68          HD21      LEU  69   8.664  -1.621  -1.939
  560   HD22  LEU  68          HD22      LEU  69   7.016  -1.017  -1.885
  561   HD23  LEU  68          HD23      LEU  69   7.551  -2.013  -3.239
  562    H    GLU  69           HN       GLU  70   8.243  -7.129  -2.678
  563    HA   GLU  69           HA       GLU  70  11.021  -7.766  -2.287
  564    HB2  GLU  69           HB2      GLU  70   8.458  -9.359  -2.239
  565    HB3  GLU  69           HB1      GLU  70  10.038 -10.135  -2.120
  566    HG2  GLU  69           HG2      GLU  70   9.112  -7.964  -0.264
  567    HG3  GLU  69           HG1      GLU  70   8.872  -9.681   0.050