*HEADER    METAL TRANSPORT                         19-MAY-06   2H2M              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF COMMD1                 
*TITLE    2 (MURR1)                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMM DOMAIN-CONTAINING PROTEIN 1;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PROTEIN MURR1;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: COMMD1;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    ALL ALPHA-HELICAL                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.SOMMERHALTER, Y.ZHANG, A.C.ROSENZWEIG                               
*REVDAT   1   05-DEC-06 2H2M    0                                                


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /scr/home2/monika/aria/pred_032206.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! 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 -64  20 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 -66  20 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 -60  20 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 -62  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -71  22 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 -70  20 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 -68  20 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 -82  26 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -78  34 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 -64  20 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -64  20 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 -62  20 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 -63  20 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 -79  38 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 -99  46 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -68  26 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 -58  20 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 -63  28 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 -64  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -69  20 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 -65  20 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 -60  20 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 -66  20 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 -64  20 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 -63  20 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  20 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 -67  20 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 -90  32 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -67  22 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -107  72 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -83  60 2

! Talos derived phi restraint:
assign (resid  86 and name C)
       (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       1.0 -96  46 2

! Talos derived phi restraint:
assign (resid  88 and name C)
       (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  89 and name C)
       (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  90 and name C)
       (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  91 and name C)
       (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  92 and name C)
       (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  93 and name C)
       (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  94 and name C)
       (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  95 and name C)
       (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       1.0 -71  20 2

! Talos derived phi restraint:
assign (resid  99 and name C)
       (resid 100 and name N)
       (resid 100 and name CA)
       (resid 100 and name C)
       1.0 -67  20 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 -41  20 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 -40  20 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 -45  20 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 -41  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 -35  32 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 -26  36 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 -34  20 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)
       1.0 136  36 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -28  20 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -11  50 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 -40  22 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -37  20 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 -43  20 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 -41  20 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 -28  32 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)
       1.0 127  56 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 141  24 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 -44  20 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 -34  36 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 -34  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -38  34 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 -37  22 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 -40  20 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 -38  20 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 -42  20 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 -47  20 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  24 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 -35  20 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  -6  32 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -40  24 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -38  26 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 140  56 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 136  46 2

! Talos derived psi restraint:
assign (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       (resid  88 and name N)
       1.0 163  28 2

! Talos derived psi restraint:
assign (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       (resid  90 and name N)
       1.0 -34  24 2

! Talos derived psi restraint:
assign (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       (resid  91 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       (resid  92 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       (resid  93 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       (resid  94 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       (resid  95 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       (resid  96 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       (resid  97 and name N)
       1.0 -31  30 2

! Talos derived psi restraint:
assign (resid 100 and name N)
       (resid 100 and name CA)
       (resid 100 and name C)
       (resid 101 and name N)
       1.0 -37  20 2

 ASSI {    3}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 102  and name HA  ))
      3.100     1.200     1.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.18728E-02 ppm1      0.841 ppm2      3.454 CV     1
 ASSI {    4}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HG13))
      2.400     0.700     0.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.61669E-02 ppm1      0.838 ppm2      1.460 CV     1
 ASSI {    5}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HB  ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      0.839 ppm2      1.852 CV     1
 ASSI {    6}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HG12))
      2.100     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15139E-01 ppm1      0.840 ppm2      1.183 CV     1
 ASSI {    7}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.64449E-02 ppm1      0.843 ppm2      4.111 CV     1
 ASSI {    8}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
      2.300     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.77340E-02 ppm1      0.846 ppm2      1.541 CV     1
 ASSI {   10}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG13))
      2.200     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.79617E-02 ppm1      0.782 ppm2      1.133 CV     1
 ASSI {   11}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
      2.200     0.600     0.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.71020E-02 ppm1      0.782 ppm2      1.802 CV     1
 ASSI {   12}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.43471E-02 ppm1      0.782 ppm2      2.013 CV     1
 ASSI {   13}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      0.783 ppm2      4.232 CV     1
 ASSI {   14}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 16   and name HD1%)
      2.900     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      0.822 ppm2      0.556 CV     1
 ASSI {   15}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.29570E-02 ppm1      0.823 ppm2      3.874 CV     1
 ASSI {   16}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HA  ))
      3.800     1.800     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13901E-02 ppm1      0.820 ppm2      3.696 CV     1
 ASSI {   17}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      0.817 ppm2      4.225 CV     1
 ASSI {   18}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 12   and name HD2%)
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      0.825 ppm2      1.144 CV     1
 ASSI {   19}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 55   and name HG3 ))
      2.900     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      0.824 ppm2      1.746 CV     1
 ASSI {   20}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
      2.800     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.24819E-02 ppm1      0.824 ppm2      1.280 CV     1
 ASSI {   21}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HG12))
      1.900     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.18804E-01 ppm1      0.823 ppm2      0.942 CV     1
 OR {   21}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 94   and name HG2%)
 ASSI {   22}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HG13))
      2.300     0.600     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.58888E-02 ppm1      0.823 ppm2      1.984 CV     1
 ASSI {   23}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB  ))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.36142E-02 ppm1      0.824 ppm2      1.899 CV     1
 ASSI {   24}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 86   and name HD1%)
      2.200     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.70012E-02 ppm1      0.824 ppm2      0.708 CV     1
 ASSI {   25}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 91   and name HB% )
      2.600     2.600     3.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.19789E-02 ppm1      0.823 ppm2      1.479 CV     1
 ASSI {   26}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
      3.800     1.800     1.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.79865E-03 ppm1      0.824 ppm2      2.300 CV     1
 ASSI {   28}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 79   and name HB3 ))
      3.200     1.200     1.200 peak    28 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      0.685 ppm2      1.848 CV     1
 ASSI {   29}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 80   and name HG2%)
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      0.686 ppm2      1.195 CV     1
 ASSI {   30}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 91   and name HB% )
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      0.686 ppm2      1.479 CV     1
 ASSI {   31}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG13))
      2.200     0.600     0.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.66471E-02 ppm1      0.686 ppm2      1.347 CV     1
 ASSI {   32}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 86   and name HG2%)
      1.800     0.400     0.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.26538E-01 ppm1      0.686 ppm2      0.771 CV     1
 ASSI {   33}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
      2.600     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      0.686 ppm2      2.306 CV     1
 ASSI {   34}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 90   and name HB2 ))
      3.300     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      0.687 ppm2      2.608 CV     1
 ASSI {   35}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      2.900     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.22090E-02 ppm1      0.686 ppm2      2.149 CV     1
 ASSI {   36}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 55   and name HG3 ))
      3.200     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.17212E-02 ppm1      0.686 ppm2      1.750 CV     1
 ASSI {   37}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      0.686 ppm2      3.870 CV     1
 ASSI {   38}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      3.100     3.100     2.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.66471E-03 ppm1      0.685 ppm2      4.970 CV     1
 ASSI {   39}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      4.600     2.600     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.69502E-03 ppm1      0.688 ppm2      4.898 CV     1
 ASSI {   40}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HG13))
      2.300     0.700     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.64701E-02 ppm1      0.565 ppm2      0.799 CV     1
 ASSI {   41}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      0.563 ppm2      3.237 CV     1
 ASSI {   42}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 62   and name HG2%)
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32604E-02 ppm1      0.565 ppm2     -0.479 CV     1
 ASSI {   44}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
      3.000     1.100     1.100 peak    44 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      0.565 ppm2      0.890 CV     1
 ASSI {   46}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.90988E-02 ppm1      0.564 ppm2      0.965 CV     1
 ASSI {   48}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HG12))
      2.400     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.49790E-02 ppm1      0.565 ppm2      1.454 CV     1
 ASSI {   49}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HG12))
      2.900     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17464E-02 ppm1     -0.516 ppm2      1.441 CV     1
 ASSI {   50}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HB  ))
      2.800     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1     -0.505 ppm2      1.231 CV     1
 ASSI {   52}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1     -0.501 ppm2      3.238 CV     1
 ASSI {   54}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 72   and name HD1%)
      3.800     1.800     1.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.92505E-03 ppm1     -0.499 ppm2      1.653 CV     1
 ASSI {   55}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HG13))
      4.200     2.200     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.65460E-03 ppm1     -0.508 ppm2      0.772 CV     1
 ASSI {   56}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 75   and name HB3 ))
      3.200     3.200     2.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.54339E-03 ppm1      1.506 ppm2      3.206 CV     1
 ASSI {   58}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 75   and name HB2 ))
      3.400     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.41702E-03 ppm1      1.504 ppm2      3.298 CV     1
 ASSI {   59}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.19436E-02 ppm1      1.504 ppm2      4.459 CV     1
 ASSI {   60}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.87448E-02 ppm1      1.504 ppm2      4.085 CV     1
 ASSI {   61}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HB3 ))
      2.100     2.100     3.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.16984E-01 ppm1      1.504 ppm2      1.605 CV     1
 OR {   61}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HD3 ))
 OR {   61}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HD2 ))
 ASSI {   63}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.61922E-03 ppm1      1.505 ppm2      3.828 CV     1
 ASSI {   64}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 79   and name HG3 ))
      3.000     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.42713E-02 ppm1      1.505 ppm2      1.400 CV     1
 ASSI {   66}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.49790E-02 ppm1      0.877 ppm2      1.848 CV     1
 ASSI {   68}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HG13))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      0.878 ppm2      1.461 CV     1
 ASSI {   69}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HG12))
      1.800     0.400     0.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.29065E-01 ppm1      0.878 ppm2      1.179 CV     1
 ASSI {   71}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HG3 ))
      3.200     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.20067E-02 ppm1      0.878 ppm2      1.657 CV     1
 OR {   71}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HG2 ))
 ASSI {   72}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.54087E-02 ppm1      0.980 ppm2      2.016 CV     1
 ASSI {   73}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      0.980 ppm2      1.799 CV     1
 ASSI {   77}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 16   and name HB3 ))
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.56867E-02 ppm1      0.981 ppm2      1.259 CV     1
 ASSI {   78}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.36142E-02 ppm1      0.981 ppm2      3.890 CV     1
 ASSI {   79}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 101  and name HA  ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.65207E-02 ppm1      0.888 ppm2      4.186 CV     1
 ASSI {   80}
   (  segid "    " and resid 53   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.86944E-02 ppm1      1.413 ppm2      3.931 CV     1
 ASSI {   83}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.99833E-02 ppm1      1.581 ppm2      4.198 CV     1
 ASSI {   84}
   (  segid "    " and resid 91   and name HB% )
   (  segid "    " and resid 86   and name HD1%)
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.33867E-02 ppm1      1.476 ppm2      0.690 CV     1
 OR {   84}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 86   and name HG12))
 ASSI {   85}
   (  segid "    " and resid 91   and name HB% )
   (  segid "    " and resid 76   and name HD2%)
      3.500     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.19259E-02 ppm1      1.476 ppm2      1.028 CV     1
 ASSI {   87}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 93   and name HA  ))
      3.800     1.800     1.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.64196E-03 ppm1      1.644 ppm2      3.746 CV     1
 ASSI {   88}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 91   and name HA  ))
      2.300     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.59899E-02 ppm1      1.476 ppm2      3.867 CV     1
 ASSI {   91}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 76   and name HG  ))
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.32604E-02 ppm1      1.477 ppm2      2.137 CV     1
 OR {   91}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {   92}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 94   and name HB  ))
      3.400     1.400     1.400 peak    92 spectrum    1 weight  0.10000E+01 volume  0.18298E-02 ppm1      1.478 ppm2      1.883 CV     1
 ASSI {   93}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 88   and name HA  ))
      2.500     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.52823E-02 ppm1      1.477 ppm2      4.180 CV     1
 ASSI {   95}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 89   and name HA  ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      1.642 ppm2      4.566 CV     1
 ASSI {   96}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 96   and name HE2 ))
      3.600     1.600     1.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      1.643 ppm2      3.041 CV     1
 OR {   96}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 96   and name HE3 ))
 ASSI {   97}
   (  segid "    " and resid 92   and name HB% )
   (  segid "    " and resid 93   and name HG2%)
      4.400     2.400     1.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.33614E-03 ppm1      1.646 ppm2      1.281 CV     1
 ASSI {   99}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 89   and name HB2 ))
      2.700     2.700     3.300 peak    99 spectrum    1 weight  0.10000E+01 volume  0.15619E-02 ppm1      1.643 ppm2      2.708 CV     1
 OR {   99}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 89   and name HB3 ))
 ASSI {  101}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.78099E-03 ppm1      0.762 ppm2      2.163 CV     1
 ASSI {  102}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19689E-02 ppm1      0.760 ppm2      1.902 CV     1
 OR {  102}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  105}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 55   and name HG3 ))
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.60911E-02 ppm1      0.760 ppm2      1.742 CV     1
 ASSI {  106}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      0.761 ppm2      0.692 CV     1
 OR {  106}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HG12))
 ASSI {  107}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HB  ))
      2.400     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      0.760 ppm2      2.305 CV     1
 ASSI {  108}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
      4.100     2.100     1.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      0.761 ppm2      2.617 CV     1
 ASSI {  110}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.38417E-02 ppm1      0.760 ppm2      4.903 CV     1
 ASSI {  113}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.21129E-02 ppm1      1.689 ppm2      4.486 CV     1
 ASSI {  114}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 30   and name HG13))
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.79361E-02 ppm1      1.691 ppm2      1.200 CV     1
 ASSI {  115}
   (  segid "    " and resid 20   and name HB% )
   (  segid "    " and resid 23   and name HG2%)
      2.400     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.68494E-02 ppm1      1.692 ppm2      0.984 CV     1
 ASSI {  116}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.70516E-02 ppm1      1.686 ppm2      4.053 CV     1
 ASSI {  118}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 38   and name HG2 ))
      3.700     1.700     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.584 ppm2      2.529 CV     1
 ASSI {  119}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 15   and name HD1%)
      2.900     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.27296E-02 ppm1      1.586 ppm2      1.205 CV     1
 ASSI {  121}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.22468E-02 ppm1      1.588 ppm2      2.183 CV     1
 ASSI {  123}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.89725E-02 ppm1      1.586 ppm2      4.316 CV     1
 ASSI {  125}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 39   and name HD1%)
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.64449E-02 ppm1      1.578 ppm2      0.987 CV     1
 ASSI {  126}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HB2 ))
      3.800     1.800     1.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      0.954 ppm2      4.044 CV     1
 OR {  126}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  127}
   (  segid "    " and resid 94   and name HG2%)
   (  segid "    " and resid 94   and name HD1%)
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      0.952 ppm2      0.831 CV     1
 ASSI {  128}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 97   and name HB3 ))
      3.300     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.77588E-03 ppm1      0.950 ppm2      3.390 CV     1
 ASSI {  129}
   (  segid "    " and resid 94   and name HG2%)
   (  segid "    " and resid 16   and name HD1%)
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.77085E-02 ppm1      0.952 ppm2      0.565 CV     1
 ASSI {  130}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HA  ))
      2.800     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      0.951 ppm2      3.697 CV     1
 ASSI {  131}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HB  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.45746E-02 ppm1      0.952 ppm2      1.894 CV     1
 ASSI {  132}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      1.433 ppm2      4.296 CV     1
 ASSI {  134}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 59   and name HB3 ))
      1.700     1.700     4.300 peak   134 spectrum    1 weight  0.10000E+01 volume  0.28054E-01 ppm1      1.431 ppm2      1.538 CV     1
 ASSI {  135}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 97   and name HB2 ))
      3.900     1.900     1.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.11474E-02 ppm1      0.952 ppm2      3.506 CV     1
 ASSI {  137}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 97   and name HA  ))
      4.400     2.400     1.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.43724E-03 ppm1      0.957 ppm2      4.360 CV     1
 ASSI {  138}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      3.500     1.500     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.37658E-03 ppm1      1.443 ppm2      4.149 CV     1
 ASSI {  141}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.74055E-03 ppm1      1.319 ppm2      3.969 CV     1
 ASSI {  142}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG3 ))
      3.100     1.200     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      1.318 ppm2      2.287 CV     1
 ASSI {  143}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG2 ))
      2.600     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      1.318 ppm2      2.652 CV     1
 ASSI {  144}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.10211E-02 ppm1      1.318 ppm2      4.111 CV     1
 ASSI {  145}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.67990E-02 ppm1      1.318 ppm2      4.397 CV     1
 ASSI {  146}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      3.400     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.16049E-02 ppm1      1.317 ppm2      3.225 CV     1
 ASSI {  147}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 86   and name HG12))
      3.200     1.300     1.300 peak   147 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      1.192 ppm2      0.687 CV     1
 OR {  147}
   (  segid "    " and resid 80   and name HG2%)
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  149}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      1.099 ppm2      4.357 CV     1
 ASSI {  150}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.31593E-02 ppm1      1.193 ppm2      4.974 CV     1
 ASSI {  151}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.54844E-03 ppm1      1.194 ppm2      4.759 CV     1
 ASSI {  153}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 48   and name HB3 ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      1.099 ppm2      2.999 CV     1
 OR {  153}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  154}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.68494E-03 ppm1      1.099 ppm2      3.210 CV     1
 ASSI {  155}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 43   and name HB  ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.48274E-02 ppm1      1.100 ppm2      2.336 CV     1
 ASSI {  156}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      4.500     2.500     1.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.17085E-03 ppm1      1.101 ppm2      4.227 CV     1
 ASSI {  157}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HD3 ))
      3.400     1.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.21129E-02 ppm1      1.100 ppm2      3.789 CV     1
 ASSI {  160}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HD2 ))
      2.900     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      1.100 ppm2      4.128 CV     1
 ASSI {  161}
   (  segid "    " and resid 80   and name HG2%)
   (  segid "    " and resid 91   and name HB% )
      2.300     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.77340E-02 ppm1      1.193 ppm2      1.479 CV     1
 ASSI {  162}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 6    and name HD2%)
      4.100     2.100     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.36142E-03 ppm1      1.103 ppm2      0.675 CV     1
 ASSI {  165}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.200     3.200     2.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.58636E-03 ppm1      0.991 ppm2      4.332 CV     1
 ASSI {  169}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 59   and name HB3 ))
      3.500     1.600     1.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17464E-02 ppm1      0.548 ppm2      1.562 CV     1
 ASSI {  171}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.74814E-02 ppm1      0.546 ppm2      1.275 CV     1
 ASSI {  173}
   (  segid "    " and resid 16   and name HD1%)
   (  segid "    " and resid 94   and name HG2%)
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.33867E-02 ppm1      0.547 ppm2      0.938 CV     1
 OR {  173}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 94   and name HG12))
 ASSI {  174}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 16   and name HG  ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.39933E-02 ppm1      0.546 ppm2      1.868 CV     1
 ASSI {  175}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.38669E-02 ppm1      0.547 ppm2      1.746 CV     1
 OR {  175}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  176}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      0.546 ppm2      3.576 CV     1
 ASSI {  177}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.83149E-02 ppm1      0.992 ppm2      4.002 CV     1
 ASSI {  178}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.16099E-02 ppm1      0.547 ppm2      0.027 CV     1
 ASSI {  179}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HB  ))
      2.400     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.73800E-02 ppm1      1.222 ppm2      4.224 CV     1
 ASSI {  181}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 96   and name HD2 ))
      4.700     2.800     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.23176E-03 ppm1      1.027 ppm2      1.757 CV     1
 OR {  181}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  183}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 12   and name HG  ))
      2.300     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.77085E-02 ppm1      1.025 ppm2      1.661 CV     1
 ASSI {  186}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 93   and name HG2%)
      2.400     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.63438E-02 ppm1      1.026 ppm2      1.280 CV     1
 ASSI {  187}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.33867E-02 ppm1      1.026 ppm2      3.749 CV     1
 ASSI {  188}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 93   and name HB  ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.45999E-02 ppm1      1.026 ppm2      2.373 CV     1
 ASSI {  189}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 16   and name HD2%)
      3.200     1.300     1.300 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      1.028 ppm2      0.639 CV     1
 ASSI {  191}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HB  ))
      2.300     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.79865E-02 ppm1      1.313 ppm2      4.842 CV     1
 ASSI {  192}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      1.314 ppm2      4.771 CV     1
 ASSI {  194}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
      2.300     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.74304E-02 ppm1      1.282 ppm2      4.472 CV     1
 ASSI {  195}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.36394E-02 ppm1      1.281 ppm2      4.365 CV     1
 ASSI {  197}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG  ))
      2.100     0.500     0.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10286E-01 ppm1      0.814 ppm2      2.118 CV     1
 OR {  197}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  198}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 91   and name HB% )
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.45241E-02 ppm1      0.815 ppm2      1.479 CV     1
 ASSI {  199}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      0.813 ppm2      3.716 CV     1
 ASSI {  201}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      0.811 ppm2      3.868 CV     1
 ASSI {  203}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 15   and name HD1%)
      2.900     1.100     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.16479E-02 ppm1      0.780 ppm2      1.199 CV     1
 ASSI {  204}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      2.600     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      0.779 ppm2      1.928 CV     1
 ASSI {  207}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      1.074 ppm2      4.358 CV     1
 ASSI {  210}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 42   and name HG3 ))
      3.700     1.800     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.50801E-03 ppm1      1.074 ppm2      2.224 CV     1
 ASSI {  212}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.800     1.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.67480E-03 ppm1      1.076 ppm2      4.789 CV     1
 ASSI {  214}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HD3 ))
      4.000     2.000     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1      1.074 ppm2      3.788 CV     1
 ASSI {  215}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HB  ))
      2.300     0.700     0.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.67990E-02 ppm1      1.074 ppm2      2.342 CV     1
 ASSI {  216}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 14   and name HA2 ))
      2.700     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.24213E-02 ppm1      0.960 ppm2      4.013 CV     1
 ASSI {  217}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.51054E-02 ppm1      0.958 ppm2      4.466 CV     1
 ASSI {  218}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.48274E-02 ppm1      0.960 ppm2      2.088 CV     1
 ASSI {  219}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.16555E-02 ppm1      0.960 ppm2      1.914 CV     1
 ASSI {  220}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 6    and name HD1%)
      4.100     2.100     1.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.35637E-03 ppm1      1.076 ppm2      0.791 CV     1
 ASSI {  221}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HG  ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.61669E-02 ppm1      0.959 ppm2      1.624 CV     1
 ASSI {  222}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 14   and name HA1 ))
      4.100     2.100     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.13421E-02 ppm1      0.957 ppm2      3.853 CV     1
 ASSI {  223}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB3 ))
      2.500     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      0.960 ppm2      1.348 CV     1
 ASSI {  224}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 6    and name HD2%)
      4.000     2.000     2.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.33614E-03 ppm1      1.079 ppm2      0.676 CV     1
 ASSI {  225}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HD2 ))
      2.900     1.100     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19663E-02 ppm1      1.075 ppm2      4.121 CV     1
 ASSI {  228}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      1.274 ppm2      4.640 CV     1
 ASSI {  229}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 55   and name HG2 ))
      2.300     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.96038E-02 ppm1      1.275 ppm2      1.863 CV     1
 ASSI {  232}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG  ))
      2.100     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.10792E-01 ppm1      1.276 ppm2      1.650 CV     1
 ASSI {  233}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 36   and name HB3 ))
      3.400     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.18500E-02 ppm1      0.830 ppm2      1.274 CV     1
 OR {  233}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {  235}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HB3 ))
      3.500     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.20649E-02 ppm1      0.830 ppm2      1.479 CV     1
 ASSI {  236}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HG  ))
      2.500     0.800     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.41197E-02 ppm1      0.829 ppm2      1.909 CV     1
 ASSI {  237}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HB  ))
      2.300     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.71275E-02 ppm1      1.277 ppm2      2.374 CV     1
 ASSI {  238}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.19284E-02 ppm1      0.830 ppm2      2.188 CV     1
 ASSI {  239}
   (  segid "    " and resid 35   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      2.600     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.52317E-02 ppm1      0.829 ppm2      1.589 CV     1
 ASSI {  240}
   (  segid "    " and resid 35   and name HD1%)
   (  segid "    " and resid 15   and name HD1%)
      3.000     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      0.829 ppm2      1.199 CV     1
 ASSI {  241}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.49285E-02 ppm1      0.829 ppm2      4.010 CV     1
 ASSI {  242}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.50043E-02 ppm1      1.278 ppm2      3.752 CV     1
 ASSI {  244}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 51   and name HB3 ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      0.675 ppm2      2.906 CV     1
 ASSI {  245}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 55   and name HG3 ))
      3.500     1.500     1.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.90988E-03 ppm1      0.675 ppm2      1.763 CV     1
 ASSI {  247}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   247 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      0.673 ppm2      4.326 CV     1
 ASSI {  248}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HG  ))
      2.500     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      0.673 ppm2      1.570 CV     1
 OR {  248}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  249}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 43   and name HG1%)
      2.600     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.48779E-02 ppm1      0.674 ppm2      1.089 CV     1
 OR {  249}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  250}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 6    and name HD1%)
      2.100     0.500     0.500 peak   250 spectrum    1 weight  0.10000E+01 volume  0.19234E-01 ppm1      0.673 ppm2      0.789 CV     1
 ASSI {  252}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HB3 ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.23201E-02 ppm1      0.673 ppm2      1.449 CV     1
 ASSI {  253}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 12   and name HD1%)
      2.800     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      0.674 ppm2      1.288 CV     1
 ASSI {  255}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HD2 ))
      2.400     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.50801E-02 ppm1      1.304 ppm2      1.598 CV     1
 OR {  255}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HD3 ))
 OR {  255}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  256}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.000     0.500     0.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.10766E-01 ppm1      1.302 ppm2      1.750 CV     1
 ASSI {  258}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.15417E-02 ppm1      1.304 ppm2      3.821 CV     1
 ASSI {  259}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HE2 ))
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.19132E-02 ppm1      1.305 ppm2      2.910 CV     1
 OR {  259}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HE3 ))
 ASSI {  262}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB3 ))
      2.300     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.66724E-02 ppm1      1.458 ppm2      1.599 CV     1
 OR {  262}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HD2 ))
 OR {  262}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI {  264}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HG3 ))
      1.500     0.300     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.29570E-01 ppm1      1.458 ppm2      1.310 CV     1
 ASSI {  266}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HE3 ))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      1.471 ppm2      2.915 CV     1
 OR {  266}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HE2 ))
 ASSI {  268}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 86   and name HG2%)
      3.700     1.700     1.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.88462E-03 ppm1      1.498 ppm2      0.782 CV     1
 ASSI {  269}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.54592E-02 ppm1      1.260 ppm2      1.921 CV     1
 OR {  269}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  270}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.98819E-02 ppm1      1.259 ppm2      4.013 CV     1
 ASSI {  272}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 86   and name HG2%)
      3.900     1.900     1.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      1.258 ppm2      0.779 CV     1
 ASSI {  273}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HB3 ))
      2.500     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.69502E-02 ppm1      1.072 ppm2      1.256 CV     1
 ASSI {  274}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HD2 ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      1.072 ppm2      1.448 CV     1
 OR {  274}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HD3 ))
 ASSI {  275}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HE2 ))
      3.300     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      1.071 ppm2      2.880 CV     1
 OR {  275}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HE3 ))
 ASSI {  276}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HG2 ))
      1.900     0.500     0.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.88966E-02 ppm1      1.071 ppm2      0.896 CV     1
 ASSI {  277}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     1.200     1.200 peak   277 spectrum    1 weight  0.10000E+01 volume  0.15897E-02 ppm1      1.073 ppm2      3.452 CV     1
 ASSI {  278}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HE2 ))
      2.600     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.48274E-02 ppm1      0.891 ppm2      2.887 CV     1
 OR {  278}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HE3 ))
 ASSI {  279}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.21356E-02 ppm1      0.890 ppm2      3.452 CV     1
 ASSI {  281}
   (  segid "    " and resid 72   and name HD2%)
   (  segid "    " and resid 62   and name HG2%)
      2.800     2.800     3.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      0.889 ppm2     -0.482 CV     1
 ASSI {  282}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.57372E-02 ppm1      0.888 ppm2      4.296 CV     1
 ASSI {  284}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.58130E-02 ppm1      0.900 ppm2      2.144 CV     1
 ASSI {  285}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 79   and name HB2 ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      0.681 ppm2      2.165 CV     1
 ASSI {  286}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 31   and name HB  ))
      3.300     1.400     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.17616E-02 ppm1      0.907 ppm2      4.470 CV     1
 ASSI {  287}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 80   and name HA  ))
      2.900     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22898E-02 ppm1      0.676 ppm2      4.976 CV     1
 ASSI {  288}
   (( segid "    " and resid 86   and name HG13))
   (  segid "    " and resid 80   and name HG2%)
      2.900     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      1.337 ppm2      1.199 CV     1
 ASSI {  289}
   (( segid "    " and resid 86   and name HG13))
   (  segid "    " and resid 86   and name HG2%)
      3.200     1.300     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      1.342 ppm2      0.765 CV     1
 ASSI {  290}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      1.359 ppm2      2.157 CV     1
 ASSI {  291}
   (( segid "    " and resid 86   and name HG12))
   (  segid "    " and resid 80   and name HG2%)
      3.300     1.400     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      0.680 ppm2      1.196 CV     1
 ASSI {  292}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 38   and name HG2 ))
      2.900     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      0.907 ppm2      2.495 CV     1
 ASSI {  293}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HG12))
      2.000     0.500     0.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.58636E-02 ppm1      1.342 ppm2      0.684 CV     1
 ASSI {  294}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 38   and name HG3 ))
      3.000     1.200     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.21281E-02 ppm1      0.907 ppm2      2.394 CV     1
 ASSI {  296}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HG  ))
      2.100     0.600     0.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14508E-01 ppm1      0.908 ppm2      1.571 CV     1
 ASSI {  297}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HB2 ))
      1.900     0.500     0.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.26791E-01 ppm1      0.911 ppm2      1.748 CV     1
 ASSI {  298}
   (( segid "    " and resid 86   and name HG12))
   (  segid "    " and resid 86   and name HG2%)
      2.600     0.900     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      0.679 ppm2      0.770 CV     1
 ASSI {  299}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.43219E-02 ppm1      0.907 ppm2      4.112 CV     1
 ASSI {  301}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
      3.000     3.000     3.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      0.934 ppm2      3.909 CV     1
 ASSI {  302}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HB  ))
      2.600     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.19132E-02 ppm1      1.349 ppm2      2.307 CV     1
 ASSI {  303}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 86   and name HB  ))
      3.300     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      0.681 ppm2      2.303 CV     1
 ASSI {  304}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.11752E-02 ppm1      1.343 ppm2      4.973 CV     1
 ASSI {  305}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.13370E-02 ppm1      1.346 ppm2      4.895 CV     1
 ASSI {  306}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 79   and name HB3 ))
      2.700     2.700     3.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.683 ppm2      1.844 CV     1
 ASSI {  309}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB3 ))
      2.400     0.700     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.67990E-02 ppm1      1.415 ppm2      1.753 CV     1
 OR {  309}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HB3 ))
 ASSI {  310}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.23025E-02 ppm1      0.873 ppm2      3.909 CV     1
 ASSI {  313}
   (( segid "    " and resid 81   and name HG3 ))
   (( segid "    " and resid 81   and name HE2 ))
      3.700     1.700     1.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.64701E-03 ppm1      1.464 ppm2      2.915 CV     1
 OR {  313}
   (( segid "    " and resid 81   and name HG3 ))
   (( segid "    " and resid 81   and name HE3 ))
 ASSI {  314}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 64   and name HB3 ))
      3.300     1.400     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.13319E-02 ppm1      1.413 ppm2      3.937 CV     1
 OR {  314}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  314}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  314}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  315}
   (( segid "    " and resid 81   and name HG3 ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     1.100     1.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.462 ppm2      4.325 CV     1
 ASSI {  320}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HG  ))
      2.300     0.700     0.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.73296E-02 ppm1      0.802 ppm2      1.607 CV     1
 OR {  320}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  323}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.000     2.000     4.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.36900E-01 ppm1      1.409 ppm2      1.539 CV     1
 OR {  323}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  325}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HG3 ))
      1.800     0.400     0.400 peak   325 spectrum    1 weight  0.10000E+01 volume  0.14836E-01 ppm1      1.537 ppm2      1.423 CV     1
 ASSI {  330}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      4.600     2.600     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.33362E-03 ppm1      0.884 ppm2      4.003 CV     1
 ASSI {  331}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.48526E-02 ppm1      1.551 ppm2      2.045 CV     1
 OR {  331}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {  332}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 11   and name HD3 ))
      3.600     1.600     1.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.15897E-02 ppm1      1.522 ppm2      3.790 CV     1
 ASSI {  333}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HE2 ))
      3.800     1.800     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.89973E-03 ppm1      1.556 ppm2      3.041 CV     1
 OR {  333}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HE3 ))
 ASSI {  335}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HD3 ))
      2.300     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.71523E-02 ppm1      1.551 ppm2      1.775 CV     1
 OR {  335}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HD2 ))
 ASSI {  336}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83149E-02 ppm1      0.883 ppm2      1.556 CV     1
 ASSI {  337}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      5.000     3.100     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30581E-03 ppm1      0.598 ppm2      3.322 CV     1
 ASSI {  338}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 19   and name HD1%)
      2.300     0.700     0.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.72282E-02 ppm1      0.602 ppm2      0.780 CV     1
 ASSI {  339}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      4.500     4.500     1.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.12763E-03 ppm1      0.601 ppm2      0.924 CV     1
 ASSI {  340}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.13547E-02 ppm1      0.602 ppm2      3.758 CV     1
 ASSI {  341}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
      3.600     1.600     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.52317E-03 ppm1      0.602 ppm2      0.885 CV     1
 ASSI {  342}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      1.506 ppm2      2.018 CV     1
 OR {  342}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  343}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.32604E-02 ppm1      0.602 ppm2      1.313 CV     1
 ASSI {  347}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 15   and name HD1%)
      3.000     1.100     1.100 peak   347 spectrum    1 weight  0.10000E+01 volume  0.18425E-02 ppm1      0.601 ppm2      1.198 CV     1
 ASSI {  348}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HG3 ))
      1.800     0.400     0.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.98315E-02 ppm1      1.679 ppm2      1.558 CV     1
 ASSI {  349}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
      6.000     6.000     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10944E-04 ppm1      0.601 ppm2      1.768 CV     1
 OR {  349}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  350}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.13395E-01 ppm1      0.601 ppm2      1.854 CV     1
 ASSI {  351}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HG3 ))
      1.900     0.400     0.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.11374E-01 ppm1      1.630 ppm2      1.508 CV     1
 ASSI {  352}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.300     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      0.599 ppm2      3.578 CV     1
 ASSI {  353}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HD3 ))
      2.200     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12081E-01 ppm1      1.508 ppm2      1.777 CV     1
 OR {  353}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  355}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.63438E-02 ppm1      1.634 ppm2      1.779 CV     1
 OR {  355}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI {  356}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HE3 ))
      3.100     1.200     1.200 peak   356 spectrum    1 weight  0.10000E+01 volume  0.19562E-02 ppm1      1.504 ppm2      3.050 CV     1
 OR {  356}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HE2 ))
 ASSI {  357}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.500     0.800     0.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.51054E-02 ppm1      1.634 ppm2      2.019 CV     1
 OR {  357}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  360}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.16504E-02 ppm1      1.499 ppm2      4.487 CV     1
 ASSI {  361}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.15215E-02 ppm1      1.631 ppm2      4.489 CV     1
 ASSI {  364}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 19   and name HD1%)
      2.400     0.700     0.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.59647E-02 ppm1      0.882 ppm2      0.790 CV     1
 ASSI {  365}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 15   and name HD1%)
      2.200     0.600     0.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.11626E-01 ppm1      0.882 ppm2      1.197 CV     1
 ASSI {  367}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HE3 ))
      2.200     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.84412E-02 ppm1      1.479 ppm2      2.524 CV     1
 ASSI {  368}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.400     0.700     0.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.50043E-02 ppm1      0.882 ppm2      1.395 CV     1
 ASSI {  372}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HG2 ))
      2.000     0.500     0.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.45241E-02 ppm1      0.530 ppm2      1.465 CV     1
 ASSI {  373}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HD2 ))
      2.500     0.800     0.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      0.539 ppm2      1.367 CV     1
 OR {  373}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HD3 ))
 ASSI {  376}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HE3 ))
      3.100     1.200     1.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.21180E-02 ppm1      0.533 ppm2      2.517 CV     1
 ASSI {  380}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
      3.600     1.600     1.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.13699E-02 ppm1      1.192 ppm2      2.487 CV     1
 ASSI {  384}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.18248E-02 ppm1      1.193 ppm2      2.015 CV     1
 ASSI {  385}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HG  ))
      2.500     0.800     0.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.40692E-02 ppm1      1.193 ppm2      1.596 CV     1
 ASSI {  386}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.38164E-03 ppm1      1.192 ppm2      2.179 CV     1
 ASSI {  387}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      1.192 ppm2      4.071 CV     1
 ASSI {  388}
   (( segid "    " and resid 16   and name HG  ))
   (  segid "    " and resid 16   and name HD2%)
      2.500     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.34878E-02 ppm1      1.860 ppm2      0.670 CV     1
 ASSI {  389}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      0.992 ppm2      4.463 CV     1
 ASSI {  392}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   392 spectrum    1 weight  0.10000E+01 volume  0.23859E-02 ppm1      0.902 ppm2      2.184 CV     1
 ASSI {  393}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 35   and name HG  ))
      2.100     0.600     0.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.10666E-01 ppm1      0.902 ppm2      1.909 CV     1
 ASSI {  395}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      0.934 ppm2      4.642 CV     1
 ASSI {  397}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 15   and name HD1%)
      2.200     0.600     0.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.12258E-01 ppm1      0.932 ppm2      1.196 CV     1
 ASSI {  398}
   (( segid "    " and resid 16   and name HG  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.100     0.500     0.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.86185E-02 ppm1      1.878 ppm2      1.279 CV     1
 ASSI {  399}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.700     0.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.72034E-02 ppm1      0.935 ppm2      4.070 CV     1
 ASSI {  401}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 94   and name HB  ))
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.45999E-03 ppm1      1.023 ppm2      1.895 CV     1
 ASSI {  404}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17616E-02 ppm1      0.935 ppm2      3.316 CV     1
 ASSI {  407}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 95   and name HB2 ))
      2.800     1.000     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.69757E-02 ppm1      1.025 ppm2      4.047 CV     1
 OR {  407}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  410}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.17287E-02 ppm1      1.028 ppm2      4.242 CV     1
 ASSI {  412}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.700     0.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      1.026 ppm2      1.276 CV     1
 ASSI {  414}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 76   and name HG  ))
      3.100     1.200     1.200 peak   414 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      1.026 ppm2      2.120 CV     1
 OR {  414}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  415}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 19   and name HD2%)
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      1.915 ppm2      0.610 CV     1
 ASSI {  416}
   (( segid "    " and resid 16   and name HG  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.876 ppm2      3.572 CV     1
 ASSI {  418}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 91   and name HA  ))
      4.100     2.100     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      1.028 ppm2      3.874 CV     1
 ASSI {  420}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 94   and name HG12))
      3.500     1.500     1.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.15821E-02 ppm1      1.140 ppm2      0.940 CV     1
 OR {  420}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  423}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      2.700     0.900     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      1.933 ppm2      1.187 CV     1
 ASSI {  424}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.80879E-03 ppm1      1.293 ppm2      1.538 CV     1
 ASSI {  425}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.300     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.30076E-02 ppm1      1.295 ppm2      0.356 CV     1
 ASSI {  428}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.10766E-02 ppm1      0.356 ppm2      2.763 CV     1
 ASSI {  430}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.200     1.200 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12865E-02 ppm1      1.288 ppm2      2.763 CV     1
 ASSI {  432}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 93   and name HG1%)
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.45493E-02 ppm1      1.141 ppm2      1.041 CV     1
 ASSI {  433}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 90   and name HG2 ))
      2.900     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      1.142 ppm2      2.658 CV     1
 ASSI {  434}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.21836E-02 ppm1      1.900 ppm2      1.474 CV     1
 ASSI {  435}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 93   and name HA  ))
      5.100     3.200     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.24339E-03 ppm1      1.141 ppm2      3.742 CV     1
 ASSI {  436}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 55   and name HG3 ))
      3.300     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      1.142 ppm2      1.746 CV     1
 ASSI {  440}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 12   and name HD1%)
      2.200     0.600     0.600 peak   440 spectrum    1 weight  0.10000E+01 volume  0.99833E-02 ppm1      1.142 ppm2      1.273 CV     1
 ASSI {  441}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.53834E-02 ppm1      1.142 ppm2      1.994 CV     1
 OR {  441}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  442}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 90   and name HG3 ))
      3.900     1.900     1.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.16301E-02 ppm1      1.142 ppm2      2.485 CV     1
 ASSI {  444}
   (( segid "    " and resid 36   and name HG3 ))
   (  segid "    " and resid 43   and name HG1%)
      2.800     2.800     3.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      1.299 ppm2      1.141 CV     1
 ASSI {  445}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 76   and name HD2%)
      3.300     3.300     2.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.19309E-02 ppm1      1.675 ppm2      1.031 CV     1
 ASSI {  446}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 72   and name HD2%)
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      1.682 ppm2      0.898 CV     1
 ASSI {  447}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.71523E-03 ppm1      1.141 ppm2      4.639 CV     1
 ASSI {  452}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 16   and name HD2%)
      4.100     2.100     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.56614E-03 ppm1      1.145 ppm2      0.636 CV     1
 ASSI {  454}
   (( segid "    " and resid 36   and name HG2 ))
   (  segid "    " and resid 43   and name HG1%)
      4.500     2.600     1.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.39428E-03 ppm1      0.339 ppm2      1.109 CV     1
 ASSI {  455}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17641E-02 ppm1      1.294 ppm2      3.705 CV     1
 ASSI {  456}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.52570E-02 ppm1      1.392 ppm2      0.946 CV     1
 ASSI {  457}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 94   and name HG2%)
      2.300     2.300     3.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.18476E-01 ppm1      2.087 ppm2      0.922 CV     1
 ASSI {  459}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 76   and name HD2%)
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.22519E-02 ppm1      2.102 ppm2      1.032 CV     1
 ASSI {  460}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
      1.800     0.400     0.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20801E-01 ppm1      2.099 ppm2      0.818 CV     1
 ASSI {  462}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.600     0.800     0.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.20472E-02 ppm1      2.098 ppm2      1.271 CV     1
 ASSI {  463}
   (( segid "    " and resid 6    and name HG  ))
   (  segid "    " and resid 6    and name HD2%)
      3.000     1.100     1.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.17540E-02 ppm1      1.560 ppm2      0.678 CV     1
 ASSI {  464}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      1.563 ppm2      4.308 CV     1
 ASSI {  465}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      1.560 ppm2      1.454 CV     1
 ASSI {  466}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.63691E-02 ppm1      1.389 ppm2      1.545 CV     1
 ASSI {  470}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.71779E-03 ppm1      1.750 ppm2      3.907 CV     1
 ASSI {  471}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     1.100     1.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.24111E-02 ppm1      1.654 ppm2      4.375 CV     1
 OR {  471}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI {  472}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      1.749 ppm2      1.556 CV     1
 ASSI {  473}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HB2 ))
      2.000     0.500     0.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.19183E-01 ppm1      1.660 ppm2      1.815 CV     1
 OR {  473}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {  474}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.10994E-01 ppm1      1.576 ppm2      1.744 CV     1
 ASSI {  477}
   (( segid "    " and resid 62   and name HG13))
   (  segid "    " and resid 72   and name HD2%)
      3.100     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.13446E-02 ppm1      0.793 ppm2      0.895 CV     1
 ASSI {  479}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.600     2.600     3.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      1.745 ppm2      0.937 CV     1
 ASSI {  480}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 16   and name HD1%)
      4.000     2.000     2.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.69502E-03 ppm1      1.753 ppm2      0.551 CV     1
 ASSI {  482}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD2%)
      2.600     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.37406E-02 ppm1      1.749 ppm2      0.876 CV     1
 OR {  482}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  486}
   (( segid "    " and resid 62   and name HG13))
   (( segid "    " and resid 62   and name HG12))
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.30581E-02 ppm1      0.769 ppm2      1.444 CV     1
 ASSI {  488}
   (( segid "    " and resid 62   and name HG12))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12789E-02 ppm1      1.452 ppm2      3.222 CV     1
 ASSI {  489}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.600     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      2.046 ppm2      3.596 CV     1
 OR {  489}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD2 ))
 ASSI {  490}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      2.051 ppm2      4.515 CV     1
 OR {  490}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  491}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.400     2.500     1.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      2.043 ppm2      4.840 CV     1
 OR {  491}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  492}
   (( segid "    " and resid 105  and name HG13))
   (( segid "    " and resid 101  and name HA  ))
      4.500     2.600     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.25780E-03 ppm1      1.454 ppm2      4.220 CV     1
 ASSI {  493}
   (( segid "    " and resid 62   and name HG13))
   (( segid "    " and resid 62   and name HB  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.22595E-02 ppm1      0.761 ppm2      1.248 CV     1
 ASSI {  494}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HD3 ))
      2.700     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      2.048 ppm2      3.826 CV     1
 OR {  494}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  495}
   (( segid "    " and resid 39   and name HG  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.24465E-02 ppm1      1.633 ppm2      4.460 CV     1
 ASSI {  496}
   (( segid "    " and resid 105  and name HG13))
   (  segid "    " and resid 105  and name HD1%)
      2.400     0.700     0.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.65965E-02 ppm1      1.460 ppm2      0.845 CV     1
 OR {  496}
   (( segid "    " and resid 105  and name HG13))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  498}
   (( segid "    " and resid 62   and name HG12))
   (( segid "    " and resid 67   and name HB3 ))
      2.600     2.600     3.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.74055E-02 ppm1      1.461 ppm2      1.564 CV     1
 ASSI {  499}
   (( segid "    " and resid 105  and name HG13))
   (( segid "    " and resid 105  and name HG12))
      1.800     0.400     0.400 peak   499 spectrum    1 weight  0.10000E+01 volume  0.14810E-01 ppm1      1.460 ppm2      1.184 CV     1
 ASSI {  500}
   (( segid "    " and resid 105  and name HG13))
   (( segid "    " and resid 105  and name HB  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.37658E-02 ppm1      1.462 ppm2      1.845 CV     1
 ASSI {  502}
   (( segid "    " and resid 105  and name HG12))
   (( segid "    " and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.23733E-02 ppm1      1.184 ppm2      4.091 CV     1
 ASSI {  504}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 80   and name HG2%)
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.84667E-03 ppm1      1.845 ppm2      1.186 CV     1
 ASSI {  505}
   (( segid "    " and resid 105  and name HG12))
   (  segid "    " and resid 105  and name HD1%)
      2.700     0.900     0.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      1.182 ppm2      0.852 CV     1
 OR {  505}
   (( segid "    " and resid 105  and name HG12))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  508}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23277E-02 ppm1      1.647 ppm2      4.637 CV     1
 ASSI {  509}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HD2 ))
      2.600     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.56361E-02 ppm1      1.645 ppm2      3.361 CV     1
 ASSI {  512}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
      3.500     1.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.14103E-02 ppm1      1.643 ppm2      3.492 CV     1
 ASSI {  513}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.63185E-02 ppm1      1.649 ppm2      1.145 CV     1
 ASSI {  515}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HG2 ))
      1.900     0.500     0.500 peak   515 spectrum    1 weight  0.10000E+01 volume  0.10868E-01 ppm1      1.929 ppm2      1.651 CV     1
 OR {  515}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI {  516}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
      5.000     3.200     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.67480E-03 ppm1      2.300 ppm2      4.800 CV     1
 ASSI {  517}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.900     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      2.089 ppm2      1.653 CV     1
 ASSI {  518}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HD2 ))
      2.600     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.33867E-02 ppm1      1.929 ppm2      3.360 CV     1
 OR {  518}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HD2 ))
 ASSI {  519}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HD3 ))
      3.000     1.200     1.200 peak   519 spectrum    1 weight  0.10000E+01 volume  0.23429E-02 ppm1      1.929 ppm2      3.250 CV     1
 OR {  519}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HD3 ))
 ASSI {  521}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.800     0.800 peak   521 spectrum    1 weight  0.10000E+01 volume  0.22064E-02 ppm1      1.830 ppm2      3.821 CV     1
 ASSI {  522}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.600     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      1.930 ppm2      3.486 CV     1
 ASSI {  525}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
      2.400     2.400     3.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.52317E-02 ppm1      1.220 ppm2      4.241 CV     1
 ASSI {  527}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HD3 ))
      2.800     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      2.089 ppm2      3.249 CV     1
 ASSI {  529}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.29318E-02 ppm1      2.307 ppm2      2.563 CV     1
 ASSI {  530}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
      2.600     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      1.221 ppm2      1.667 CV     1
 ASSI {  531}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HG3 ))
      1.900     0.400     0.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.10261E-01 ppm1      2.308 ppm2      2.093 CV     1
 OR {  531}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  532}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HD2 ))
      3.200     1.300     1.300 peak   532 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      2.088 ppm2      3.361 CV     1
 ASSI {  533}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HD3 ))
      3.200     1.200     1.200 peak   533 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      2.307 ppm2      3.833 CV     1
 ASSI {  534}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.29065E-02 ppm1      1.929 ppm2      3.724 CV     1
 ASSI {  537}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HD2 ))
      2.500     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      2.308 ppm2      3.938 CV     1
 ASSI {  538}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.600     0.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12865E-01 ppm1      2.087 ppm2      3.990 CV     1
 ASSI {  539}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 86   and name HB  ))
      2.400     0.700     0.700 peak   539 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      2.618 ppm2      2.311 CV     1
 ASSI {  540}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HB2 ))
      1.800     0.400     0.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.93009E-02 ppm1      1.618 ppm2      2.627 CV     1
 OR {  540}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HG2 ))
 ASSI {  541}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG3 ))
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.14280E-02 ppm1      2.625 ppm2      2.505 CV     1
 ASSI {  542}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     2.200     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.90484E-03 ppm1      2.631 ppm2      1.148 CV     1
 ASSI {  546}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.100     0.500     0.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.34878E-02 ppm1      2.621 ppm2      1.622 CV     1
 ASSI {  548}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 86   and name HG12))
      3.300     1.400     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      1.836 ppm2      0.688 CV     1
 OR {  548}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  552}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.23227E-02 ppm1      2.616 ppm2      3.943 CV     1
 ASSI {  553}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD3 ))
      3.300     1.300     1.300 peak   553 spectrum    1 weight  0.10000E+01 volume  0.23631E-02 ppm1      2.161 ppm2      3.491 CV     1
 ASSI {  554}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.900     1.900     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.14558E-02 ppm1      2.308 ppm2      4.239 CV     1
 ASSI {  556}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HG3 ))
      3.200     1.300     1.300 peak   556 spectrum    1 weight  0.10000E+01 volume  0.22166E-02 ppm1      1.838 ppm2      1.361 CV     1
 ASSI {  557}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.100     0.500     0.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.50043E-02 ppm1      1.834 ppm2      2.152 CV     1
 ASSI {  558}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HG12))
      2.000     0.500     0.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.61163E-02 ppm1      1.213 ppm2      1.537 CV     1
 ASSI {  560}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 86   and name HG12))
      2.800     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18172E-02 ppm1      2.155 ppm2      0.686 CV     1
 OR {  560}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  562}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HB  ))
      2.800     1.000     1.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.32604E-02 ppm1      1.212 ppm2      1.920 CV     1
 ASSI {  567}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.49285E-02 ppm1      1.935 ppm2      2.436 CV     1
 OR {  567}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  570}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 30   and name HB  ))
      2.400     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      1.538 ppm2      1.921 CV     1
 ASSI {  577}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 16   and name HB3 ))
      2.900     1.100     1.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.58383E-02 ppm1      0.638 ppm2      1.274 CV     1
 ASSI {  578}
   (  segid "    " and resid 16   and name HD2%)
   (  segid "    " and resid 16   and name HD1%)
      2.600     0.900     0.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.38922E-02 ppm1      0.638 ppm2      0.554 CV     1
 ASSI {  579}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.11298E-01 ppm1      2.096 ppm2      2.563 CV     1
 ASSI {  584}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HD3 ))
      2.700     0.900     0.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.28812E-02 ppm1      1.959 ppm2      3.049 CV     1
 OR {  584}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HD3 ))
 ASSI {  586}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.95535E-02 ppm1      2.048 ppm2      4.214 CV     1
 OR {  586}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  587}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.65965E-03 ppm1      1.531 ppm2      3.927 CV     1
 ASSI {  588}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HG2 ))
      2.200     0.600     0.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11652E-01 ppm1      2.048 ppm2      2.426 CV     1
 OR {  588}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HG3 ))
 OR {  588}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HG3 ))
 OR {  588}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HG2 ))
 ASSI {  589}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      2.099 ppm2      4.794 CV     1
 ASSI {  591}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.100     0.600     0.600 peak   591 spectrum    1 weight  0.10000E+01 volume  0.20599E-01 ppm1      1.929 ppm2      3.834 CV     1
 ASSI {  598}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 52   and name HB3 ))
      4.400     2.400     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.25780E-03 ppm1      1.536 ppm2      0.598 CV     1
 ASSI {  600}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB3 ))
      2.500     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.52823E-02 ppm1      1.539 ppm2      1.785 CV     1
 OR {  600}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  601}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HD2 ))
      2.700     0.900     0.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      1.535 ppm2      3.106 CV     1
 ASSI {  602}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 52   and name HB3 ))
      4.300     2.300     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.29318E-03 ppm1      1.690 ppm2      0.604 CV     1
 ASSI {  604}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.300     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.65460E-02 ppm1      1.678 ppm2      1.792 CV     1
 OR {  604}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI {  605}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HG3 ))
      1.700     0.400     0.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.15973E-01 ppm1      1.538 ppm2      1.683 CV     1
 ASSI {  606}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HD3 ))
      2.900     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.19537E-02 ppm1      1.681 ppm2      3.168 CV     1
 ASSI {  608}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      1.537 ppm2      3.754 CV     1
 ASSI {  609}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.18273E-02 ppm1      1.675 ppm2      3.753 CV     1
 ASSI {  611}
   (( segid "    " and resid 102  and name HD3 ))
   (( segid "    " and resid 102  and name HG2 ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      1.436 ppm2      0.893 CV     1
 OR {  611}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI {  612}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.24920E-02 ppm1      1.438 ppm2      3.461 CV     1
 OR {  612}
   (( segid "    " and resid 102  and name HD3 ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI {  614}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HE3 ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.51812E-02 ppm1      1.439 ppm2      2.878 CV     1
 OR {  614}
   (( segid "    " and resid 102  and name HD3 ))
   (( segid "    " and resid 102  and name HE2 ))
 OR {  614}
   (( segid "    " and resid 102  and name HD3 ))
   (( segid "    " and resid 102  and name HE3 ))
 OR {  614}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HE2 ))
 ASSI {  616}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.000     0.500     0.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.24844E-01 ppm1      2.110 ppm2      2.415 CV     1
 OR {  616}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 OR {  616}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG3 ))
 OR {  616}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  617}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.17060E-02 ppm1      1.825 ppm2      4.544 CV     1
 ASSI {  619}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.600     0.800     0.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.828 ppm2      2.485 CV     1
 ASSI {  620}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.000     0.500     0.500 peak   620 spectrum    1 weight  0.10000E+01 volume  0.85930E-02 ppm1      1.825 ppm2      2.149 CV     1
 ASSI {  621}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.700     0.900     0.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.54592E-02 ppm1      1.825 ppm2      2.251 CV     1
 ASSI {  622}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.100     1.100 peak   622 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      2.146 ppm2      4.546 CV     1
 ASSI {  623}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 67   and name HB3 ))
      3.700     1.700     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.85682E-03 ppm1      1.992 ppm2      1.580 CV     1
 ASSI {  624}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.60911E-02 ppm1      1.983 ppm2      2.481 CV     1
 ASSI {  625}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.24187E-02 ppm1      1.985 ppm2      4.100 CV     1
 ASSI {  626}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      3.000     1.100     1.100 peak   626 spectrum    1 weight  0.10000E+01 volume  0.53834E-03 ppm1      2.267 ppm2      1.582 CV     1
 ASSI {  627}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
      2.100     0.500     0.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.92505E-02 ppm1      2.263 ppm2      2.483 CV     1
 ASSI {  630}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.100     1.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      1.985 ppm2      2.734 CV     1
 ASSI {  632}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.700     2.700     3.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      2.178 ppm2      2.536 CV     1
 ASSI {  633}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      1.950 ppm2      4.340 CV     1
 ASSI {  634}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.44988E-02 ppm1      2.227 ppm2      4.334 CV     1
 ASSI {  637}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.300     0.700     0.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.17844E-01 ppm1      2.218 ppm2      2.332 CV     1
 ASSI {  638}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15923E-02 ppm1      1.637 ppm2      4.081 CV     1
 OR {  638}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 85   and name HA1 ))
 ASSI {  639}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 70   and name HB3 ))
      2.600     2.600     3.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.21432E-02 ppm1      2.184 ppm2      2.929 CV     1
 OR {  639}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
 ASSI {  640}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 104  and name HG3 ))
      2.100     0.500     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.15973E-01 ppm1      1.644 ppm2      1.420 CV     1
 OR {  640}
   (( segid "    " and resid 104  and name HD2 ))
   (( segid "    " and resid 104  and name HG2 ))
 OR {  640}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 104  and name HG2 ))
 OR {  640}
   (( segid "    " and resid 104  and name HD2 ))
   (( segid "    " and resid 104  and name HG3 ))
 ASSI {  642}
   (( segid "    " and resid 104  and name HD2 ))
   (( segid "    " and resid 103  and name HB  ))
      2.600     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.44988E-02 ppm1      1.643 ppm2      4.201 CV     1
 OR {  642}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 103  and name HB  ))
 OR {  642}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI {  644}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HE3 ))
      3.100     1.200     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.13471E-02 ppm1      1.669 ppm2      2.947 CV     1
 OR {  644}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HE2 ))
 OR {  644}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HE3 ))
 OR {  644}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI {  645}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      1.780 ppm2      4.486 CV     1
 OR {  645}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  646}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HG2 ))
      2.000     0.500     0.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.20194E-01 ppm1      2.172 ppm2      2.323 CV     1
 OR {  646}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG3 ))
 OR {  646}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 OR {  646}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HG3 ))
 ASSI {  647}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   647 spectrum    1 weight  0.10000E+01 volume  0.19789E-02 ppm1      2.170 ppm2      4.650 CV     1
 OR {  647}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  649}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 93   and name HA  ))
      3.000     1.100     1.100 peak   649 spectrum    1 weight  0.10000E+01 volume  0.19183E-02 ppm1      1.775 ppm2      3.771 CV     1
 OR {  649}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI {  654}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   654 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      3.207 ppm2      4.688 CV     1
 ASSI {  656}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.000     0.500     0.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.10059E-01 ppm1      3.202 ppm2      3.350 CV     1
 ASSI {  663}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HE2 ))
      2.600     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      1.375 ppm2      2.655 CV     1
 OR {  663}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HE2 ))
 ASSI {  664}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HE3 ))
      2.700     0.900     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      1.373 ppm2      2.520 CV     1
 OR {  664}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HE3 ))
 ASSI {  665}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HG3 ))
      2.500     0.800     0.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      1.383 ppm2      0.533 CV     1
 ASSI {  666}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      1.361 ppm2      4.028 CV     1
 ASSI {  670}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.57372E-02 ppm1      1.681 ppm2      1.507 CV     1
 OR {  670}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI {  672}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 94   and name HD1%)
      3.000     1.100     1.100 peak   672 spectrum    1 weight  0.10000E+01 volume  0.12207E-02 ppm1      0.912 ppm2      0.829 CV     1
 ASSI {  673}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.700     0.900     0.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      1.685 ppm2      1.260 CV     1
 OR {  673}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  674}
   (( segid "    " and resid 54   and name HD2 ))
   (  segid "    " and resid 86   and name HG2%)
      2.700     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.45493E-02 ppm1      1.685 ppm2      0.773 CV     1
 OR {  674}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  675}
   (( segid "    " and resid 94   and name HG13))
   (  segid "    " and resid 12   and name HD2%)
      3.300     1.400     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.77588E-03 ppm1      1.978 ppm2      1.140 CV     1
 ASSI {  677}
   (( segid "    " and resid 94   and name HG12))
   (( segid "    " and resid 94   and name HA  ))
      3.400     1.400     1.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.65460E-03 ppm1      0.908 ppm2      3.695 CV     1
 ASSI {  678}
   (( segid "    " and resid 94   and name HG13))
   (  segid "    " and resid 16   and name HD2%)
      3.600     1.600     1.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.16049E-02 ppm1      1.973 ppm2      0.642 CV     1
 ASSI {  679}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HG  ))
      2.700     0.900     0.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.25173E-02 ppm1      2.094 ppm2      1.635 CV     1
 ASSI {  680}
   (( segid "    " and resid 94   and name HG13))
   (( segid "    " and resid 94   and name HG12))
      1.900     0.500     0.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.78858E-02 ppm1      1.982 ppm2      0.932 CV     1
 ASSI {  682}
   (( segid "    " and resid 94   and name HG13))
   (  segid "    " and resid 93   and name HG1%)
      2.300     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.53834E-02 ppm1      1.980 ppm2      1.011 CV     1
 ASSI {  683}
   (( segid "    " and resid 94   and name HG12))
   (( segid "    " and resid 94   and name HB  ))
      3.500     1.500     1.500 peak   683 spectrum    1 weight  0.10000E+01 volume  0.86185E-03 ppm1      0.907 ppm2      1.891 CV     1
 ASSI {  685}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HB  ))
      4.900     3.000     1.100 peak   685 spectrum    1 weight  0.10000E+01 volume  0.30581E-03 ppm1      2.313 ppm2      4.455 CV     1
 ASSI {  689}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 16   and name HD2%)
      4.600     2.700     1.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.98570E-04 ppm1      0.903 ppm2      0.646 CV     1
 ASSI {  690}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.10160E-03 ppm1      2.141 ppm2      3.933 CV     1
 ASSI {  692}
   (( segid "    " and resid 58   and name HG13))
   (( segid "    " and resid 58   and name HG12))
      3.300     3.300     2.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.22924E-03 ppm1      1.130 ppm2      1.803 CV     1
 ASSI {  695}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      3.300     3.300     2.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.40186E-03 ppm1      2.313 ppm2      2.147 CV     1
 ASSI {  701}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 35   and name HD2%)
      5.400     3.600     0.600 peak   701 spectrum    1 weight  0.10000E+01 volume  0.16327E-03 ppm1      2.307 ppm2      0.931 CV     1
 ASSI {  716}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD2 ))
      6.000     5.700     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12106E-04 ppm1      1.793 ppm2      3.102 CV     1
 OR {  716}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
 ASSI {  724}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.700     4.700     1.300 peak   724 spectrum    1 weight  0.10000E+01 volume  0.35131E-04 ppm1      1.556 ppm2      1.291 CV     1
 OR {  724}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {  726}
   (( segid "    " and resid 5    and name HB3 ))
   (  segid "    " and resid 6    and name HD1%)
      5.200     3.300     0.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.10261E-03 ppm1      1.982 ppm2      0.824 CV     1
 ASSI {  734}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak   734 spectrum    1 weight  0.10000E+01 volume  0.96549E-04 ppm1      2.311 ppm2      3.927 CV     1
 ASSI {  737}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.72786E-03 ppm1      2.108 ppm2      4.293 CV     1
 ASSI {  741}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HD3 ))
      6.000     5.000     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.19511E-04 ppm1      1.951 ppm2      3.498 CV     1
 ASSI {  744}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 97   and name HE% )
      6.000     6.000     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.23404E-04 ppm1      3.438 ppm2      7.203 CV     1
 OR {  744}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 97   and name HE% )
 ASSI {  745}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HE3 ))
      6.000     5.700     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.14608E-04 ppm1      3.433 ppm2      7.387 CV     1
 OR {  745}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HE3 ))
 ASSI {  746}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD3 ))
      3.300     1.400     1.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      1.789 ppm2      3.166 CV     1
 OR {  746}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD3 ))
 ASSI {  749}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
      5.000     3.100     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.18172E-03 ppm1      2.304 ppm2      2.476 CV     1
 ASSI {  754}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HE3 ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.29318E-02 ppm1      2.010 ppm2      3.047 CV     1
 OR {  754}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HE2 ))
 OR {  754}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HE2 ))
 OR {  754}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HE3 ))
 ASSI {  755}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.20396E-03 ppm1      1.302 ppm2      4.537 CV     1
 ASSI {  756}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
      1.400     0.200     0.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.66218E-01 ppm1      2.308 ppm2      1.960 CV     1
 ASSI {  757}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.500     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      1.560 ppm2      4.552 CV     1
 ASSI {  759}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD3 ))
      2.900     1.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.23530E-02 ppm1      2.014 ppm2      1.778 CV     1
 OR {  759}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD2 ))
 OR {  759}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI {  760}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HD3 ))
      1.900     0.500     0.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14330E-01 ppm1      2.010 ppm2      3.777 CV     1
 OR {  760}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  761}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.14937E-02 ppm1      1.290 ppm2      2.759 CV     1
 ASSI {  763}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HD3 ))
      3.300     1.300     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1      1.593 ppm2      3.773 CV     1
 ASSI {  764}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HB2 ))
      3.000     3.000     3.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      1.808 ppm2      2.121 CV     1
 ASSI {  765}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.18905E-02 ppm1      1.291 ppm2      1.561 CV     1
 ASSI {  767}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      1.900     0.400     0.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11298E-01 ppm1      1.600 ppm2      1.917 CV     1
 OR {  767}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HG3 ))
 ASSI {  768}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.20043E-02 ppm1      1.599 ppm2      4.317 CV     1
 ASSI {  769}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.46757E-02 ppm1      1.604 ppm2      2.054 CV     1
 ASSI {  770}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.600     0.800     0.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      1.598 ppm2      2.322 CV     1
 OR {  770}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  771}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 44   and name HD2 ))
      3.400     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.21584E-02 ppm1      2.003 ppm2      4.116 CV     1
 ASSI {  772}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HG3 ))
      2.900     2.900     3.100 peak   772 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      1.811 ppm2      2.311 CV     1
 OR {  772}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HG2 ))
 ASSI {  773}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      1.542 ppm2      2.772 CV     1
 ASSI {  774}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      1.913 ppm2      4.316 CV     1
 ASSI {  775}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.700     0.900     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      1.297 ppm2      0.341 CV     1
 ASSI {  776}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HD2 ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.10059E-02 ppm1      1.603 ppm2      3.849 CV     1
 ASSI {  779}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.71779E-03 ppm1      1.535 ppm2      0.367 CV     1
 ASSI {  780}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.400     0.700     0.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      2.116 ppm2      4.138 CV     1
 ASSI {  781}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 43   and name HG1%)
      3.100     1.200     1.200 peak   781 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      2.113 ppm2      1.101 CV     1
 OR {  781}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  782}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 43   and name HG1%)
      3.200     1.300     1.300 peak   782 spectrum    1 weight  0.10000E+01 volume  0.17970E-02 ppm1      1.985 ppm2      1.100 CV     1
 OR {  782}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  784}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HD3 ))
      3.300     1.400     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.12131E-02 ppm1      1.907 ppm2      3.222 CV     1
 OR {  784}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HD2 ))
 ASSI {  786}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HD3 ))
      3.900     1.900     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.39175E-03 ppm1      1.938 ppm2      3.040 CV     1
 ASSI {  787}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HG2 ))
      2.000     0.500     0.500 peak   787 spectrum    1 weight  0.10000E+01 volume  0.23606E-01 ppm1      1.907 ppm2      1.662 CV     1
 OR {  787}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HG3 ))
 ASSI {  788}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.19158E-02 ppm1      1.815 ppm2      4.370 CV     1
 ASSI {  789}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HD2 ))
      2.700     0.900     0.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      1.814 ppm2      3.223 CV     1
 OR {  789}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HD3 ))
 ASSI {  790}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.100     0.500     0.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.61922E-02 ppm1      1.942 ppm2      2.446 CV     1
 ASSI {  791}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HB3 ))
      1.700     0.400     0.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.18829E-01 ppm1      1.815 ppm2      1.909 CV     1
 ASSI {  792}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      1.940 ppm2      4.000 CV     1
 ASSI {  793}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.100     0.600     0.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.65965E-02 ppm1      2.444 ppm2      1.948 CV     1
 OR {  793}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  794}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.23606E-02 ppm1      2.446 ppm2      3.996 CV     1
 ASSI {  796}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.22722E-02 ppm1      2.444 ppm2      3.773 CV     1
 ASSI {  797}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.400     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.71020E-03 ppm1      1.938 ppm2      3.773 CV     1
 ASSI {  798}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 16   and name HD1%)
      3.500     1.500     1.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.57878E-03 ppm1      1.302 ppm2      0.559 CV     1
 ASSI {  799}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.81887E-03 ppm1      1.713 ppm2      0.938 CV     1
 ASSI {  801}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB3 ))
      2.300     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      1.707 ppm2      1.314 CV     1
 ASSI {  802}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.100     0.500     0.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.59142E-02 ppm1      1.305 ppm2      1.729 CV     1
 OR {  802}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  804}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HD3 ))
      3.600     1.600     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      2.560 ppm2      3.831 CV     1
 ASSI {  805}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      3.300     1.400     1.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      2.564 ppm2      4.129 CV     1
 ASSI {  806}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB3 ))
      2.100     0.500     0.500 peak   806 spectrum    1 weight  0.10000E+01 volume  0.56361E-02 ppm1      2.562 ppm2      2.001 CV     1
 ASSI {  807}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.000     1.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.29318E-02 ppm1      2.562 ppm2      4.793 CV     1
 ASSI {  810}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.24061E-02 ppm1      1.996 ppm2      4.793 CV     1
 ASSI {  812}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HE3 ))
      4.200     2.200     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.35889E-03 ppm1      1.260 ppm2      2.884 CV     1
 OR {  812}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HE2 ))
 ASSI {  813}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HD2 ))
      3.900     1.900     1.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.10666E-02 ppm1      2.000 ppm2      4.131 CV     1
 ASSI {  814}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HG2 ))
      2.900     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.17616E-02 ppm1      1.251 ppm2      0.894 CV     1
 ASSI {  818}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HB2 ))
      1.900     0.400     0.400 peak   818 spectrum    1 weight  0.10000E+01 volume  0.10691E-01 ppm1      1.253 ppm2      1.510 CV     1
 ASSI {  819}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG3 ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.18500E-02 ppm1      1.511 ppm2      1.074 CV     1
 ASSI {  820}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HE3 ))
      3.400     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11778E-02 ppm1      1.502 ppm2      2.882 CV     1
 OR {  820}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HE2 ))
 ASSI {  821}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG2 ))
      3.200     1.300     1.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.15266E-02 ppm1      1.508 ppm2      0.894 CV     1
 ASSI {  823}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG3 ))
      2.100     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.12056E-01 ppm1      1.996 ppm2      2.114 CV     1
 OR {  823}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI {  828}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.200     0.600     0.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.86441E-02 ppm1      1.930 ppm2      1.532 CV     1
 OR {  828}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI {  829}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      2.305 CV     1
 ASSI {  831}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.20952E-02 ppm1      2.001 ppm2      4.512 CV     1
 ASSI {  833}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      2.000     0.500     0.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11677E-01 ppm1      2.304 ppm2      2.017 CV     1
 OR {  833}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  835}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
      1.800     0.400     0.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.29824E-01 ppm1      1.930 ppm2      1.414 CV     1
 OR {  835}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  835}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG3 ))
 OR {  835}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  837}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.000     1.100     1.100 peak   837 spectrum    1 weight  0.10000E+01 volume  0.72282E-02 ppm1      2.373 ppm2      4.007 CV     1
 OR {  837}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  841}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.22039E-02 ppm1      1.699 ppm2      3.857 CV     1
 ASSI {  842}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.27296E-02 ppm1      2.368 ppm2      3.748 CV     1
 ASSI {  843}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HG3 ))
      2.900     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.17616E-02 ppm1      1.698 ppm2      0.540 CV     1
 ASSI {  844}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 12   and name HD2%)
      2.700     0.900     0.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.48526E-02 ppm1      2.368 ppm2      1.147 CV     1
 ASSI {  845}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
      2.700     0.900     0.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      1.800 ppm2      3.858 CV     1
 ASSI {  846}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HG3 ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      1.797 ppm2      0.538 CV     1
 ASSI {  847}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 94   and name HG12))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.87703E-03 ppm1      1.783 ppm2      0.936 CV     1
 OR {  847}
   (( segid "    " and resid 55   and name HG3 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  848}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HB2 ))
      5.200     3.400     0.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.19789E-04 ppm1      1.705 ppm2      1.802 CV     1
 ASSI {  849}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HE3 ))
      2.000     2.000     4.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.16655E-01 ppm1      1.792 ppm2      2.503 CV     1
 ASSI {  850}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HE2 ))
      2.300     0.600     0.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.47515E-02 ppm1      1.818 ppm2      2.650 CV     1
 ASSI {  851}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD2 ))
      2.800     0.900     0.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.23733E-02 ppm1      2.551 ppm2      3.949 CV     1
 ASSI {  852}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 48   and name HB3 ))
      4.400     2.400     1.600 peak   852 spectrum    1 weight  0.10000E+01 volume  0.50295E-03 ppm1      2.337 ppm2      3.021 CV     1
 OR {  852}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  853}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      5.000     3.100     1.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.53834E-03 ppm1      2.074 ppm2      4.801 CV     1
 ASSI {  854}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD3 ))
      4.100     2.100     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.83660E-03 ppm1      2.557 ppm2      3.844 CV     1
 ASSI {  855}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      1.400     0.200     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.80624E-01 ppm1      2.559 ppm2      2.090 CV     1
 OR {  855}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  856}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
      4.000     2.000     2.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.83149E-03 ppm1      2.552 ppm2      3.018 CV     1
 OR {  856}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  857}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.000     0.500     0.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.76581E-02 ppm1      2.084 ppm2      2.562 CV     1
 ASSI {  858}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   858 spectrum    1 weight  0.10000E+01 volume  0.19511E-02 ppm1      2.082 ppm2      4.241 CV     1
 ASSI {  860}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD3 ))
      3.800     1.800     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      2.079 ppm2      3.833 CV     1
 ASSI {  861}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
      2.500     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.66218E-02 ppm1      2.081 ppm2      2.312 CV     1
 ASSI {  862}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   862 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      2.559 ppm2      4.240 CV     1
 ASSI {  863}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 96   and name HB3 ))
      3.500     1.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.33867E-02 ppm1      1.686 ppm2      2.053 CV     1
 OR {  863}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  864}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.100     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.35384E-02 ppm1      2.050 ppm2      3.752 CV     1
 OR {  864}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI {  865}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HE3 ))
      3.100     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.13497E-02 ppm1      2.053 ppm2      3.046 CV     1
 OR {  865}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR {  865}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HE2 ))
 ASSI {  866}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD2 ))
      1.400     0.200     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.25274E+00 ppm1      2.049 ppm2      1.777 CV     1
 OR {  866}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HD2 ))
 OR {  866}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HD3 ))
 OR {  866}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  867}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HA  ))
      2.000     0.500     0.500 peak   867 spectrum    1 weight  0.10000E+01 volume  0.12865E-01 ppm1      2.049 ppm2      4.031 CV     1
 OR {  867}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  868}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HG2 ))
      1.300     0.200     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.24592E+00 ppm1      2.048 ppm2      1.686 CV     1
 OR {  868}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  870}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HG3 ))
      1.400     0.300     0.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.14254E+00 ppm1      1.830 ppm2      1.409 CV     1
 OR {  870}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  873}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   873 spectrum    1 weight  0.10000E+01 volume  0.19032E-02 ppm1      1.754 ppm2      4.273 CV     1
 ASSI {  874}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.14179E-02 ppm1      2.338 ppm2      4.362 CV     1
 ASSI {  875}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HE3 ))
      4.300     2.300     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.50548E-03 ppm1      1.741 ppm2      2.954 CV     1
 OR {  875}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HE2 ))
 ASSI {  876}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG1%)
      2.300     0.700     0.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.73296E-02 ppm1      2.339 ppm2      1.089 CV     1
 OR {  876}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  878}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      2.338 ppm2      3.230 CV     1
 ASSI {  879}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.400     1.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.49537E-03 ppm1      2.326 ppm2      4.218 CV     1
 ASSI {  880}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   880 spectrum    1 weight  0.10000E+01 volume  0.15215E-02 ppm1      2.191 ppm2      4.150 CV     1
 ASSI {  881}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10160E-02 ppm1      1.905 ppm2      3.713 CV     1
 ASSI {  882}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   882 spectrum    1 weight  0.10000E+01 volume  0.94776E-03 ppm1      1.354 ppm2      3.716 CV     1
 ASSI {  883}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 86   and name HD1%)
      4.000     2.000     2.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.78347E-03 ppm1      1.902 ppm2      0.687 CV     1
 OR {  883}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 86   and name HG12))
 ASSI {  884}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 86   and name HD1%)
      3.700     1.700     1.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.65207E-03 ppm1      1.359 ppm2      0.684 CV     1
 OR {  884}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 86   and name HG12))
 ASSI {  885}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HG2 ))
      1.900     0.400     0.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10084E-01 ppm1      1.360 ppm2      1.896 CV     1
 ASSI {  888}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.360 ppm2      2.166 CV     1
 ASSI {  890}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
      2.900     1.100     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.37406E-02 ppm1      1.902 ppm2      2.157 CV     1
 ASSI {  891}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.16631E-02 ppm1      1.357 ppm2      3.833 CV     1
 ASSI {  892}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HE2 ))
      4.100     2.100     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.58888E-03 ppm1      1.996 ppm2      2.920 CV     1
 OR {  892}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HE3 ))
 ASSI {  893}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.20245E-02 ppm1      1.901 ppm2      3.829 CV     1
 ASSI {  894}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      1.720 ppm2      4.082 CV     1
 ASSI {  895}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HG3 ))
      2.600     0.900     0.900 peak   895 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      1.994 ppm2      1.470 CV     1
 ASSI {  896}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.38922E-02 ppm1      1.996 ppm2      4.325 CV     1
 ASSI {  897}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
      1.800     0.400     0.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.12839E-01 ppm1      1.725 ppm2      1.998 CV     1
 ASSI {  899}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      2.051 ppm2      4.111 CV     1
 ASSI {  900}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.000     0.500     0.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.49032E-02 ppm1      2.044 ppm2      1.577 CV     1
 ASSI {  901}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      2.100     0.600     0.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.95535E-02 ppm1      1.604 ppm2      4.112 CV     1
 ASSI {  906}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.500     1.600     1.600 peak   906 spectrum    1 weight  0.10000E+01 volume  0.86441E-03 ppm1      1.576 ppm2      2.645 CV     1
 ASSI {  907}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.300     0.700     0.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.10590E-01 ppm1      1.746 ppm2      1.468 CV     1
 ASSI {  908}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB3 ))
      2.100     0.500     0.500 peak   908 spectrum    1 weight  0.10000E+01 volume  0.49032E-02 ppm1      1.747 ppm2      1.605 CV     1
 OR {  908}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI {  909}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HG2 ))
      2.700     0.900     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.97811E-02 ppm1      1.765 ppm2      2.425 CV     1
 OR {  909}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI {  910}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      1.800     1.800     4.200 peak   910 spectrum    1 weight  0.10000E+01 volume  0.28307E-01 ppm1      1.748 ppm2      4.311 CV     1
 ASSI {  911}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 83   and name HG2 ))
      3.300     3.300     2.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.70516E-02 ppm1      1.602 ppm2      2.429 CV     1
 OR {  911}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI {  913}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HE2 ))
      3.300     1.300     1.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.18829E-02 ppm1      1.749 ppm2      2.912 CV     1
 OR {  913}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HE3 ))
 ASSI {  915}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.100     1.100 peak   915 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      2.429 ppm2      4.215 CV     1
 OR {  915}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  916}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 85   and name HA1 ))
      4.100     2.100     1.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.11854E-02 ppm1      1.752 ppm2      4.052 CV     1
 ASSI {  917}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.54087E-03 ppm1      2.734 ppm2      3.216 CV     1
 ASSI {  919}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG3 ))
      1.800     0.400     0.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13067E-01 ppm1      2.734 ppm2      2.481 CV     1
 ASSI {  921}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      2.732 ppm2      2.269 CV     1
 ASSI {  922}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      2.477 ppm2      4.102 CV     1
 ASSI {  925}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.700     1.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.33867E-03 ppm1      2.295 ppm2      2.018 CV     1
 ASSI {  927}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.600     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.39680E-02 ppm1      2.585 ppm2      2.336 CV     1
 OR {  927}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  927}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  927}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  929}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.22064E-02 ppm1      2.392 ppm2      4.217 CV     1
 ASSI {  930}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HG2 ))
      1.800     0.400     0.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.16453E-01 ppm1      2.394 ppm2      2.493 CV     1
 ASSI {  931}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.300     0.700     0.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.56361E-02 ppm1      2.284 ppm2      1.590 CV     1
 ASSI {  932}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.59142E-02 ppm1      2.393 ppm2      2.133 CV     1
 ASSI {  933}
   (( segid "    " and resid 38   and name HG3 ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.19537E-02 ppm1      2.391 ppm2      0.917 CV     1
 OR {  933}
   (( segid "    " and resid 38   and name HG3 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  935}
   (( segid "    " and resid 38   and name HG2 ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.17515E-02 ppm1      2.486 ppm2      0.910 CV     1
 OR {  935}
   (( segid "    " and resid 38   and name HG2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  936}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.16024E-01 ppm1      2.648 ppm2      2.035 CV     1
 ASSI {  937}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      2.644 ppm2      4.108 CV     1
 ASSI {  939}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 72   and name HG  ))
      3.300     1.300     1.300 peak   939 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      2.291 ppm2      1.244 CV     1
 ASSI {  941}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      2.289 ppm2      2.654 CV     1
 ASSI {  943}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.400     1.400 peak   943 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      2.290 ppm2      4.108 CV     1
 ASSI {  944}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     1.100     1.100 peak   944 spectrum    1 weight  0.10000E+01 volume  0.29318E-02 ppm1      2.648 ppm2      3.224 CV     1
 ASSI {  948}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 62   and name HG12))
      4.000     2.000     2.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.48021E-03 ppm1      2.302 ppm2      1.414 CV     1
 ASSI {  951}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HG2 ))
      1.700     0.400     0.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.18298E-01 ppm1      2.486 ppm2      2.667 CV     1
 ASSI {  953}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HA  ))
      2.900     1.000     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.43471E-02 ppm1      2.486 ppm2      3.942 CV     1
 ASSI {  957}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.200     1.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      2.479 ppm2      2.154 CV     1
 ASSI {  958}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.100     0.500     0.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.78602E-02 ppm1      2.480 ppm2      2.260 CV     1
 ASSI {  959}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      2.255 ppm2      2.152 CV     1
 ASSI {  961}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   961 spectrum    1 weight  0.10000E+01 volume  0.13219E-02 ppm1      2.254 ppm2      4.545 CV     1
 ASSI {  965}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.58636E-02 ppm1      2.321 ppm2      4.117 CV     1
 OR {  965}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  966}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      5.000     3.100     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.25274E-03 ppm1      2.321 ppm2      4.646 CV     1
 OR {  966}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  969}
   (( segid "    " and resid 42   and name HG3 ))
   (  segid "    " and resid 43   and name HG1%)
      3.800     1.800     1.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.64701E-03 ppm1      2.225 ppm2      1.086 CV     1
 OR {  969}
   (( segid "    " and resid 42   and name HG3 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  974}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.45493E-02 ppm1      2.316 ppm2      4.434 CV     1
 ASSI {  976}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.34120E-02 ppm1      2.412 ppm2      4.187 CV     1
 OR {  976}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  978}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.24794E-02 ppm1      2.367 ppm2      3.936 CV     1
 ASSI {  979}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.24238E-02 ppm1      2.474 ppm2      3.928 CV     1
 ASSI {  980}
   (( segid "    " and resid 32   and name HG2 ))
   (  segid "    " and resid 31   and name HG2%)
      3.900     1.900     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.11929E-02 ppm1      2.477 ppm2      1.262 CV     1
 ASSI {  981}
   (( segid "    " and resid 32   and name HG2 ))
   (  segid "    " and resid 35   and name HD2%)
      3.100     1.200     1.200 peak   981 spectrum    1 weight  0.10000E+01 volume  0.23277E-02 ppm1      2.479 ppm2      0.937 CV     1
 ASSI {  982}
   (( segid "    " and resid 32   and name HG3 ))
   (  segid "    " and resid 35   and name HD2%)
      3.300     1.300     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.20573E-02 ppm1      2.367 ppm2      0.938 CV     1
 ASSI {  984}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD% )
      3.100     1.200     1.200 peak   984 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      3.394 ppm2      7.351 CV     1
 ASSI {  985}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 69   and name HD% )
      3.100     1.200     1.200 peak   985 spectrum    1 weight  0.10000E+01 volume  0.15518E-02 ppm1      3.274 ppm2      7.350 CV     1
 ASSI {  986}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
      1.900     0.500     0.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10539E-01 ppm1      3.274 ppm2      3.400 CV     1
 ASSI {  988}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.19006E-02 ppm1      3.274 ppm2      4.552 CV     1
 ASSI {  989}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.23025E-02 ppm1      3.397 ppm2      4.552 CV     1
 ASSI {  992}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
      2.800     0.900     0.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.19815E-02 ppm1      2.014 ppm2      1.801 CV     1
 ASSI {  994}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     3.200     2.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.23657E-02 ppm1      2.014 ppm2      4.223 CV     1
 ASSI {  995}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG13))
      2.800     1.000     1.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.24440E-02 ppm1      2.016 ppm2      1.143 CV     1
 ASSI {  997}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      3.034 ppm2      4.652 CV     1
 ASSI {  998}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HB2 ))
      1.800     0.400     0.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.18450E-01 ppm1      2.885 ppm2      3.037 CV     1
 ASSI { 1001}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.300     3.300     2.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.24642E-02 ppm1      2.886 ppm2      3.402 CV     1
 ASSI { 1002}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      2.884 ppm2      4.652 CV     1
 ASSI { 1005}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.300     3.300     2.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.10160E-02 ppm1      1.921 ppm2      2.926 CV     1
 ASSI { 1007}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      1.915 ppm2      4.175 CV     1
 ASSI { 1008}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      3.127 ppm2      4.841 CV     1
 ASSI { 1009}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HE% )
      3.900     1.900     1.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1      3.125 ppm2      6.843 CV     1
 ASSI { 1010}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.19486E-02 ppm1      2.927 ppm2      4.845 CV     1
 ASSI { 1011}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HE% )
      3.200     1.300     1.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.47768E-02 ppm1      2.938 ppm2      6.841 CV     1
 ASSI { 1012}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.000     0.500     0.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.80369E-02 ppm1      2.926 ppm2      3.131 CV     1
 ASSI { 1013}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD% )
      2.600     0.800     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      3.128 ppm2      7.179 CV     1
 ASSI { 1015}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD% )
      2.800     1.000     1.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.24389E-02 ppm1      2.935 ppm2      7.178 CV     1
 ASSI { 1016}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HD3 ))
      4.200     2.200     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.77340E-03 ppm1      3.136 ppm2      3.826 CV     1
 ASSI { 1017}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HD3 ))
      3.900     1.900     1.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.11020E-02 ppm1      2.913 ppm2      3.826 CV     1
 ASSI { 1019}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HG12))
      2.700     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.846 ppm2      1.183 CV     1
 ASSI { 1021}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HA  ))
      2.900     1.100     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.23555E-02 ppm1      1.847 ppm2      4.101 CV     1
 ASSI { 1022}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      2.700     2.700     3.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.71275E-02 ppm1      1.840 ppm2      4.368 CV     1
 ASSI { 1023}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
      2.600     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.37406E-02 ppm1      1.844 ppm2      0.874 CV     1
 OR { 1023}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 1026}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HD1%)
      2.900     1.100     1.100 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.18122E-02 ppm1      1.220 ppm2      0.569 CV     1
 ASSI { 1027}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.51306E-02 ppm1      3.151 ppm2      4.664 CV     1
 ASSI { 1028}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.28307E-02 ppm1      1.213 ppm2      3.911 CV     1
 ASSI { 1029}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.000     0.500     0.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.10236E-01 ppm1      3.147 ppm2      2.971 CV     1
 ASSI { 1030}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 62   and name HG12))
      2.800     1.000     1.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      1.212 ppm2      1.457 CV     1
 ASSI { 1032}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      2.969 ppm2      4.661 CV     1
 ASSI { 1034}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 24   and name HD% )
      3.500     1.600     1.600 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.62680E-03 ppm1      2.947 ppm2      7.270 CV     1
 ASSI { 1035}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD% )
      2.800     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      3.189 ppm2      6.872 CV     1
 ASSI { 1037}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.100     0.600     0.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.55856E-02 ppm1      2.899 ppm2      3.188 CV     1
 ASSI { 1039}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 51   and name HD% )
      2.700     0.900     0.900 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.35889E-02 ppm1      2.892 ppm2      6.877 CV     1
 ASSI { 1040}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD21))
      2.900     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.19208E-02 ppm1      2.897 ppm2      7.166 CV     1
 ASSI { 1041}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA2 ))
      3.400     1.400     1.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      2.889 ppm2      3.999 CV     1
 ASSI { 1045}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.800     0.400     0.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.16150E-01 ppm1      3.004 ppm2      2.891 CV     1
 ASSI { 1047}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 14   and name HA1 ))
      3.400     1.500     1.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      3.008 ppm2      3.851 CV     1
 ASSI { 1050}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 16   and name HD2%)
      2.700     0.900     0.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.17414E-02 ppm1      3.393 ppm2      0.640 CV     1
 ASSI { 1051}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 94   and name HA  ))
      2.300     2.300     3.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.44735E-02 ppm1      3.545 ppm2      3.663 CV     1
 ASSI { 1052}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.300     1.400     1.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.15594E-02 ppm1      3.014 ppm2      3.681 CV     1
 OR { 1052}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 1053}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.000     0.500     0.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      2.430 ppm2      3.149 CV     1
 ASSI { 1055}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.29570E-02 ppm1      2.430 ppm2      4.563 CV     1
 ASSI { 1057}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB3 ))
      2.100     0.600     0.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.47010E-02 ppm1      3.530 ppm2      3.400 CV     1
 ASSI { 1059}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      3.145 ppm2      4.561 CV     1
 ASSI { 1060}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HD% )
      2.800     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      3.532 ppm2      7.314 CV     1
 ASSI { 1061}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HD2 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.88966E-03 ppm1      3.007 ppm2      3.363 CV     1
 OR { 1061}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HD2 ))
 ASSI { 1064}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 16   and name HD2%)
      2.800     2.800     3.200 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.14684E-02 ppm1      3.531 ppm2      0.640 CV     1
 ASSI { 1065}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 97   and name HD% )
      2.600     0.900     0.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.23681E-02 ppm1      3.396 ppm2      7.317 CV     1
 ASSI { 1067}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG  ))
      3.100     1.200     1.200 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.13976E-02 ppm1     -0.005 ppm2      1.873 CV     1
 ASSI { 1068}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.64449E-02 ppm1      2.998 ppm2      4.233 CV     1
 OR { 1068}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1069}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD2%)
      2.700     0.900     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.20270E-02 ppm1     -0.005 ppm2      0.641 CV     1
 ASSI { 1071}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.200     0.600     0.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.39428E-02 ppm1      1.250 ppm2      0.027 CV     1
 ASSI { 1074}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.15821E-02 ppm1     -0.004 ppm2      3.572 CV     1
 ASSI { 1078}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 58   and name HG13))
      4.700     2.700     1.300 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.32098E-03 ppm1      3.392 ppm2      1.162 CV     1
 ASSI { 1079}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      3.186 ppm2      4.456 CV     1
 ASSI { 1080}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      3.179 ppm2      4.299 CV     1
 ASSI { 1081}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.900     0.500     0.500 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.78347E-02 ppm1      3.194 ppm2      3.312 CV     1
 ASSI { 1084}
   (( segid "    " and resid 75   and name HB3 ))
   (  segid "    " and resid 97   and name HE% )
      2.900     1.100     1.100 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.17009E-02 ppm1      3.193 ppm2      7.222 CV     1
 ASSI { 1086}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 97   and name HE% )
      3.800     1.800     1.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      3.308 ppm2      7.226 CV     1
 ASSI { 1089}
   (( segid "    " and resid 75   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
      3.600     1.600     1.600 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.86441E-03 ppm1      3.192 ppm2      0.900 CV     1
 ASSI { 1090}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 43   and name HG2%)
      2.400     0.700     0.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.66976E-02 ppm1      3.219 ppm2      1.081 CV     1
 OR { 1090}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI { 1091}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 36   and name HG3 ))
      3.700     1.700     1.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.13597E-02 ppm1      2.080 ppm2      1.275 CV     1
 OR { 1091}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1092}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      4.000     2.000     2.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.34373E-03 ppm1      3.234 ppm2      4.790 CV     1
 ASSI { 1093}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     3.500     2.500 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.23050E-02 ppm1      2.067 ppm2      2.775 CV     1
 ASSI { 1095}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD% )
      2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.18476E-02 ppm1      2.076 ppm2      6.966 CV     1
 ASSI { 1096}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      2.200     0.600     0.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      3.220 ppm2      2.084 CV     1
 ASSI { 1097}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 43   and name HG2%)
      3.400     1.400     1.400 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.30329E-02 ppm1      2.080 ppm2      1.083 CV     1
 OR { 1097}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI { 1101}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.96294E-03 ppm1      2.080 ppm2      4.783 CV     1
 ASSI { 1103}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.29065E-02 ppm1      2.301 ppm2      4.903 CV     1
 ASSI { 1107}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.000     1.100     1.100 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.14002E-02 ppm1      2.296 ppm2      1.626 CV     1
 ASSI { 1108}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 91   and name HB% )
      4.600     2.700     1.400 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.35384E-03 ppm1      2.289 ppm2      1.475 CV     1
 ASSI { 1109}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.41449E-02 ppm1      3.237 ppm2      4.735 CV     1
 ASSI { 1110}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.000     0.500     0.500 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.88462E-02 ppm1      2.823 ppm2      3.241 CV     1
 ASSI { 1111}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.63943E-03 ppm1      1.540 ppm2      4.005 CV     1
 ASSI { 1112}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.18146E-02 ppm1      1.546 ppm2      3.317 CV     1
 ASSI { 1114}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      2.821 ppm2      4.732 CV     1
 ASSI { 1116}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      2.200     0.600     0.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.82646E-02 ppm1      1.549 ppm2      0.938 CV     1
 ASSI { 1118}
   (( segid "    " and resid 52   and name HB3 ))
   (  segid "    " and resid 52   and name HD2%)
      2.600     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.30834E-02 ppm1      0.626 ppm2      0.898 CV     1
 ASSI { 1119}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.000     0.500     0.500 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.64701E-02 ppm1      0.628 ppm2      1.554 CV     1
 ASSI { 1121}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HG  ))
      3.000     1.100     1.100 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.19032E-02 ppm1      0.625 ppm2      1.391 CV     1
 ASSI { 1123}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.61922E-02 ppm1      2.704 ppm2      4.567 CV     1
 OR { 1123}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1124}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 87   and name HG2%)
      4.200     2.200     1.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.44735E-03 ppm1      2.706 ppm2      1.298 CV     1
 OR { 1124}
   (( segid "    " and resid 89   and name HB3 ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI { 1126}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      3.800     1.800     1.800 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.57625E-03 ppm1      2.706 ppm2      3.964 CV     1
 OR { 1126}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 1128}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.35889E-02 ppm1      1.993 ppm2      1.277 CV     1
 OR { 1128}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI { 1129}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 93   and name HG1%)
      2.600     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.22519E-02 ppm1      1.991 ppm2      1.033 CV     1
 OR { 1129}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 93   and name HG1%)
 ASSI { 1130}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG  ))
      2.600     0.800     0.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      1.999 ppm2      1.663 CV     1
 OR { 1130}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
 ASSI { 1131}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 9    and name HA1 ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.15746E-02 ppm1      2.017 ppm2      4.071 CV     1
 OR { 1131}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HA1 ))
 OR { 1131}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 9    and name HA2 ))
 OR { 1131}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HA2 ))
 ASSI { 1132}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      1.989 ppm2      4.643 CV     1
 OR { 1132}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1133}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.14912E-02 ppm1      2.132 ppm2      3.717 CV     1
 ASSI { 1135}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
      2.800     0.900     0.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.21003E-02 ppm1      2.128 ppm2      0.820 CV     1
 ASSI { 1136}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.000     0.500     0.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.58130E-02 ppm1      1.280 ppm2      2.136 CV     1
 OR { 1136}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HG  ))
 ASSI { 1137}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
      3.400     1.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      1.278 ppm2      0.817 CV     1
 ASSI { 1141}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.000     0.500     0.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.43977E-02 ppm1      2.131 ppm2      1.287 CV     1
 ASSI { 1142}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
      3.400     1.500     1.500 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.19562E-02 ppm1      2.132 ppm2      1.030 CV     1
 ASSI { 1144}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.11904E-02 ppm1      2.137 ppm2      4.117 CV     1
 ASSI { 1145}
   (( segid "    " and resid 54   and name HE2 ))
   (  segid "    " and resid 86   and name HG2%)
      2.900     1.100     1.100 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.23050E-02 ppm1      2.927 ppm2      0.772 CV     1
 OR { 1145}
   (( segid "    " and resid 54   and name HE3 ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI { 1146}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 54   and name HG3 ))
      6.000     5.400     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.21230E-04 ppm1      2.939 ppm2      1.260 CV     1
 OR { 1146}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 1147}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 54   and name HB3 ))
      1.800     0.400     0.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.32604E-01 ppm1      2.947 ppm2      1.927 CV     1
 OR { 1147}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1147}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1150}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.87703E-03 ppm1      1.546 ppm2      3.755 CV     1
 ASSI { 1151}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 52   and name HD1%)
      2.600     2.600     3.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.24819E-02 ppm1      1.549 ppm2      0.940 CV     1
 ASSI { 1152}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      2.900     1.000     1.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.22620E-02 ppm1      1.554 ppm2      0.876 CV     1
 OR { 1152}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1154}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      1.800     0.400     0.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.14128E-01 ppm1      1.552 ppm2      1.742 CV     1
 OR { 1154}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI { 1155}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.21812E-02 ppm1      1.729 ppm2      3.912 CV     1
 ASSI { 1157}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.400     1.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.94527E-03 ppm1      1.731 ppm2      3.760 CV     1
 ASSI { 1158}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 45   and name HG3 ))
      2.500     0.800     0.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.58636E-02 ppm1      3.692 ppm2      2.085 CV     1
 OR { 1158}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1159}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.400     0.700     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      2.681 ppm2      0.359 CV     1
 ASSI { 1160}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.700     0.900     0.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.21306E-02 ppm1      3.679 ppm2      1.297 CV     1
 OR { 1160}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1161}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.400     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.65207E-03 ppm1      3.676 ppm2      1.556 CV     1
 ASSI { 1162}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.900     1.000     1.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      2.696 ppm2      1.294 CV     1
 OR { 1162}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1163}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HG2 ))
      3.100     1.200     1.200 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.21508E-02 ppm1      3.681 ppm2      0.359 CV     1
 ASSI { 1164}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.19991E-02 ppm1      3.686 ppm2      4.239 CV     1
 ASSI { 1165}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.000     0.500     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.41197E-02 ppm1      2.691 ppm2      3.688 CV     1
 ASSI { 1166}
   (( segid "    " and resid 36   and name HD2 ))
   (  segid "    " and resid 43   and name HG1%)
      3.300     1.400     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.86944E-03 ppm1      3.683 ppm2      1.105 CV     1
 ASSI { 1169}
   (( segid "    " and resid 36   and name HD3 ))
   (  segid "    " and resid 43   and name HG1%)
      5.000     3.200     1.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.17262E-03 ppm1      2.691 ppm2      1.109 CV     1
 ASSI { 1172}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HG2 ))
      2.500     0.800     0.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.71779E-02 ppm1      2.667 ppm2      1.480 CV     1
 ASSI { 1173}
   (( segid "    " and resid 102  and name HE2 ))
   (( segid "    " and resid 102  and name HG3 ))
      3.200     1.300     1.300 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      2.867 ppm2      1.078 CV     1
 ASSI { 1174}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.34878E-02 ppm1      2.661 ppm2      3.872 CV     1
 ASSI { 1176}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.900     0.400     0.400 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.93513E-02 ppm1      1.674 ppm2      1.744 CV     1
 ASSI { 1177}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 96   and name HA  ))
      4.500     2.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.81128E-03 ppm1      2.655 ppm2      4.043 CV     1
 ASSI { 1179}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.000     1.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      1.662 ppm2      4.118 CV     1
 ASSI { 1180}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      1.743 ppm2      4.125 CV     1
 ASSI { 1182}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD2%)
      2.700     0.900     0.900 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.39428E-02 ppm1      1.664 ppm2      0.908 CV     1
 OR { 1182}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 1183}
   (( segid "    " and resid 99   and name HE2 ))
   (  segid "    " and resid 103  and name HG2%)
      3.900     1.900     1.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.31340E-03 ppm1      2.652 ppm2      1.222 CV     1
 ASSI { 1185}
   (( segid "    " and resid 81   and name HE2 ))
   (( segid "    " and resid 81   and name HG2 ))
      2.400     0.700     0.700 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.78347E-02 ppm1      2.939 ppm2      1.544 CV     1
 OR { 1185}
   (( segid "    " and resid 81   and name HE3 ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 1186}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.400     0.700     0.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      2.912 ppm2      3.825 CV     1
 OR { 1186}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1187}
   (( segid "    " and resid 99   and name HE3 ))
   (( segid "    " and resid 99   and name HE2 ))
      1.700     0.400     0.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.18122E-01 ppm1      2.518 ppm2      2.655 CV     1
 ASSI { 1192}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HG3 ))
      3.200     1.300     1.300 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.14330E-02 ppm1      2.652 ppm2      0.536 CV     1
 ASSI { 1193}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HB3 ))
      4.100     2.100     1.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.97811E-03 ppm1      2.661 ppm2      1.688 CV     1
 ASSI { 1195}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 99   and name HD2 ))
      2.900     1.000     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.37406E-02 ppm1      2.652 ppm2      1.401 CV     1
 ASSI { 1196}
   (( segid "    " and resid 99   and name HE3 ))
   (( segid "    " and resid 96   and name HA  ))
      4.800     2.900     1.200 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.41197E-03 ppm1      2.519 ppm2      4.032 CV     1
 ASSI { 1197}
   (( segid "    " and resid 99   and name HE3 ))
   (( segid "    " and resid 99   and name HB3 ))
      3.900     1.900     1.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.11247E-02 ppm1      2.521 ppm2      1.700 CV     1
 ASSI { 1198}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HD2 ))
      2.000     0.500     0.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.13875E-01 ppm1      2.920 ppm2      1.626 CV     1
 OR { 1198}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HB3 ))
 OR { 1198}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HD3 ))
 OR { 1198}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HD2 ))
 OR { 1198}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI { 1200}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 96   and name HE2 ))
      3.300     1.400     1.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      2.662 ppm2      3.047 CV     1
 OR { 1200}
   (( segid "    " and resid 99   and name HE2 ))
   (( segid "    " and resid 96   and name HE3 ))
 ASSI { 1201}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.18576E-02 ppm1      1.446 ppm2      4.328 CV     1
 ASSI { 1202}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.23201E-02 ppm1      1.594 ppm2      4.325 CV     1
 ASSI { 1203}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.24061E-02 ppm1      1.589 ppm2      0.803 CV     1
 ASSI { 1205}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      1.800     0.400     0.400 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.17717E-01 ppm1      1.448 ppm2      1.590 CV     1
 ASSI { 1206}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      1.588 ppm2      0.676 CV     1
 ASSI { 1208}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 6    and name HD1%)
      3.000     1.100     1.100 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.42713E-02 ppm1      1.451 ppm2      0.806 CV     1
 ASSI { 1209}
   (( segid "    " and resid 81   and name HE3 ))
   (  segid "    " and resid 77   and name HG2%)
      2.300     0.700     0.700 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.98570E-02 ppm1      2.914 ppm2      1.233 CV     1
 OR { 1209}
   (( segid "    " and resid 81   and name HE2 ))
   (  segid "    " and resid 77   and name HG2%)
 ASSI { 1210}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      3.900     3.900     2.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.11500E-02 ppm1      2.477 ppm2      3.046 CV     1
 ASSI { 1215}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 15   and name HD2%)
      2.800     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.56361E-02 ppm1      2.022 ppm2      0.927 CV     1
 ASSI { 1216}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.800     0.400     0.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.97556E-02 ppm1      2.025 ppm2      2.478 CV     1
 ASSI { 1219}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 19   and name HD1%)
      2.600     0.900     0.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.29065E-02 ppm1      2.012 ppm2      0.778 CV     1
 ASSI { 1220}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      3.100     1.200     1.200 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      2.481 ppm2      0.778 CV     1
 ASSI { 1221}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
      2.200     0.600     0.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.92754E-02 ppm1      2.481 ppm2      0.945 CV     1
 ASSI { 1223}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.19739E-02 ppm1      2.499 ppm2      4.647 CV     1
 ASSI { 1224}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HG  ))
      2.400     0.700     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.49537E-02 ppm1      2.013 ppm2      1.609 CV     1
 ASSI { 1226}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.700     1.300 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.50548E-03 ppm1      2.014 ppm2      4.649 CV     1
 ASSI { 1227}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.85171E-03 ppm1      2.481 ppm2      4.074 CV     1
 ASSI { 1228}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG  ))
      3.100     1.200     1.200 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.94017E-03 ppm1      2.480 ppm2      1.606 CV     1
 ASSI { 1229}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      2.010 ppm2      4.070 CV     1
 ASSI { 1231}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      2.700     0.900     0.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.43724E-02 ppm1      2.476 ppm2      1.269 CV     1
 ASSI { 1232}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.16655E-02 ppm1      1.471 ppm2      4.007 CV     1
 ASSI { 1233}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
      3.600     1.700     1.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.11070E-02 ppm1      1.464 ppm2      1.037 CV     1
 ASSI { 1235}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14456E-02 ppm1      2.185 ppm2      3.996 CV     1
 ASSI { 1238}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG  ))
      2.800     1.000     1.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.31340E-02 ppm1      2.177 ppm2      1.900 CV     1
 ASSI { 1239}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      1.848 ppm2      4.107 CV     1
 ASSI { 1243}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HG  ))
      2.900     1.100     1.100 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.21382E-02 ppm1      1.469 ppm2      1.202 CV     1
 ASSI { 1244}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.17944E-02 ppm1      1.316 ppm2      3.574 CV     1
 ASSI { 1245}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HG  ))
      3.100     1.200     1.200 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.19511E-02 ppm1      1.313 ppm2      1.946 CV     1
 ASSI { 1246}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.22190E-02 ppm1      1.843 ppm2      3.583 CV     1
 ASSI { 1247}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.000     1.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      1.318 ppm2      0.885 CV     1
 OR { 1247}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1248}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.000     0.500     0.500 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.57625E-02 ppm1      1.850 ppm2      1.320 CV     1
 ASSI { 1250}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HD1%)
      2.000     0.500     0.500 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.19309E-01 ppm1      1.310 ppm2      0.779 CV     1
 ASSI { 1252}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      2.900     1.000     1.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.15266E-02 ppm1      1.846 ppm2      0.775 CV     1
 ASSI { 1254}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HG  ))
      2.100     0.600     0.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.93768E-02 ppm1      2.174 ppm2      1.205 CV     1
 ASSI { 1255}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.22342E-02 ppm1      1.840 ppm2      0.879 CV     1
 OR { 1255}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1257}
   (( segid "    " and resid 96   and name HE2 ))
   (( segid "    " and resid 99   and name HG3 ))
      2.800     1.000     1.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      3.040 ppm2      0.563 CV     1
 OR { 1257}
   (( segid "    " and resid 96   and name HE3 ))
   (( segid "    " and resid 99   and name HG3 ))
 ASSI { 1259}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.300     1.300     1.300 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.96797E-03 ppm1      2.154 ppm2      4.549 CV     1
 ASSI { 1261}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD1%)
      1.600     0.300     0.600 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.55603E-01 ppm1      2.173 ppm2      1.686 CV     1
 ASSI { 1264}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HG2 ))
      2.100     0.500     0.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.13446E-01 ppm1      3.223 ppm2      1.661 CV     1
 OR { 1264}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HG3 ))
 OR { 1264}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HG2 ))
 OR { 1264}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HG3 ))
 ASSI { 1266}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HD2 ))
      1.600     0.300     0.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.26538E-01 ppm1      3.243 ppm2      3.358 CV     1
 ASSI { 1273}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 53   and name HB% )
      4.100     2.100     1.900 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.71523E-03 ppm1      3.091 ppm2      1.408 CV     1
 ASSI { 1274}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HD3 ))
      1.700     0.400     0.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.14937E-01 ppm1      3.100 ppm2      3.169 CV     1
 ASSI { 1276}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HG3 ))
      2.500     0.800     0.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.48779E-02 ppm1      3.104 ppm2      1.687 CV     1
 ASSI { 1280}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HG2 ))
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.40692E-02 ppm1      3.170 ppm2      1.546 CV     1
 ASSI { 1281}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     3.100     2.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.44735E-02 ppm1      3.120 ppm2      3.758 CV     1
 ASSI { 1283}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.73041E-02 ppm1      3.113 ppm2      3.930 CV     1
 ASSI { 1284}
   (( segid "    " and resid 56   and name HD3 ))
   (  segid "    " and resid 53   and name HB% )
      4.300     2.300     1.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.54592E-03 ppm1      3.160 ppm2      1.404 CV     1
 ASSI { 1285}
   (( segid "    " and resid 85   and name HA2 ))
   (( segid "    " and resid 82   and name HB2 ))
      4.000     2.000     2.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.10059E-02 ppm1      4.280 ppm2      1.744 CV     1
 ASSI { 1287}
   (( segid "    " and resid 85   and name HA1 ))
   (( segid "    " and resid 82   and name HG3 ))
      3.900     1.900     1.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.57625E-03 ppm1      4.052 ppm2      1.320 CV     1
 ASSI { 1288}
   (( segid "    " and resid 85   and name HA2 ))
   (( segid "    " and resid 85   and name HA1 ))
      1.800     0.400     0.400 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.10615E-01 ppm1      4.284 ppm2      4.052 CV     1
 ASSI { 1291}
   (( segid "    " and resid 85   and name HA2 ))
   (  segid "    " and resid 86   and name HG2%)
      4.100     2.100     1.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.63185E-03 ppm1      4.280 ppm2      0.761 CV     1
 ASSI { 1292}
   (( segid "    " and resid 85   and name HA1 ))
   (  segid "    " and resid 86   and name HG2%)
      4.200     2.200     1.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.26032E-03 ppm1      4.051 ppm2      0.765 CV     1
 ASSI { 1293}
   (( segid "    " and resid 85   and name HA2 ))
   (( segid "    " and resid 82   and name HE3 ))
      4.200     2.200     1.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.51054E-03 ppm1      4.274 ppm2      2.916 CV     1
 OR { 1293}
   (( segid "    " and resid 85   and name HA2 ))
   (( segid "    " and resid 82   and name HE2 ))
 ASSI { 1294}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HA1 ))
      4.300     4.300     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.10691E-03 ppm1      4.012 ppm2      3.849 CV     1
 ASSI { 1295}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 30   and name HG2%)
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.42713E-03 ppm1      4.002 ppm2      0.896 CV     1
 OR { 1295}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 30   and name HD1%)
 ASSI { 1296}
   (( segid "    " and resid 4    and name HA2 ))
   (  segid "    " and resid 3    and name HB% )
      5.000     3.100     1.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.16580E-03 ppm1      3.974 ppm2      1.433 CV     1
 OR { 1296}
   (( segid "    " and resid 4    and name HA1 ))
   (  segid "    " and resid 3    and name HB% )
 ASSI { 1300}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.59142E-02 ppm1      2.090 ppm2      0.986 CV     1
 OR { 1300}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 1302}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD2%)
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.53075E-02 ppm1      1.348 ppm2      0.985 CV     1
 OR { 1302}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1303}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      2.083 ppm2      4.462 CV     1
 ASSI { 1305}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB3 ))
      2.100     0.500     0.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.48021E-02 ppm1      2.088 ppm2      1.350 CV     1
 ASSI { 1308}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 84   and name HA2 ))
      2.500     0.800     0.800 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      4.025 ppm2      3.887 CV     1
 ASSI { 1310}
   (( segid "    " and resid 9    and name HA1 ))
   (  segid "    " and resid 93   and name HG1%)
      3.900     1.900     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.57625E-03 ppm1      4.045 ppm2      1.032 CV     1
 OR { 1310}
   (( segid "    " and resid 9    and name HA2 ))
   (  segid "    " and resid 93   and name HG1%)
 ASSI { 1313}
   (( segid "    " and resid 14   and name HA1 ))
   (  segid "    " and resid 39   and name HD2%)
      3.900     1.900     1.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      3.855 ppm2      0.971 CV     1
 OR { 1313}
   (( segid "    " and resid 14   and name HA1 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1315}
   (( segid "    " and resid 14   and name HA2 ))
   (  segid "    " and resid 39   and name HD2%)
      3.100     1.200     1.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      3.992 ppm2      0.969 CV     1
 OR { 1315}
   (( segid "    " and resid 14   and name HA2 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1316}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 17   and name HB3 ))
      4.200     2.200     1.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.50801E-03 ppm1      4.002 ppm2      3.012 CV     1
 ASSI { 1319}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.19057E-03 ppm1      3.871 ppm2      2.893 CV     1
 ASSI { 1320}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.16049E-02 ppm1      3.031 ppm2      2.439 CV     1
 ASSI { 1321}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
      4.400     2.500     1.600 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.58383E-03 ppm1      3.409 ppm2      2.441 CV     1
 ASSI { 1322}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG3 ))
      5.100     3.300     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.10893E-03 ppm1      3.832 ppm2      1.930 CV     1
 OR { 1322}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1325}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      3.769 ppm2      4.490 CV     1
 ASSI { 1328}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.12359E-02 ppm1      3.490 ppm2      3.993 CV     1
 ASSI { 1329}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HD2 ))
      1.300     0.200     0.900 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.81128E-01 ppm1      3.776 ppm2      3.831 CV     1
 ASSI { 1330}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HB2 ))
      3.900     1.900     1.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.11474E-02 ppm1      3.490 ppm2      2.314 CV     1
 ASSI { 1332}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.74055E-03 ppm1      3.713 ppm2      4.211 CV     1
 ASSI { 1334}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.000     0.500     0.500 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.69253E-02 ppm1      3.715 ppm2      3.490 CV     1
 ASSI { 1338}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.600     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.19764E-02 ppm1      3.715 ppm2      2.162 CV     1
 ASSI { 1340}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.400     1.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.53581E-03 ppm1      3.717 ppm2      2.321 CV     1
 ASSI { 1341}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      3.593 ppm2      4.846 CV     1
 ASSI { 1342}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.200     0.600     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.45241E-02 ppm1      3.823 ppm2      3.595 CV     1
 ASSI { 1345}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.51559E-02 ppm1      3.825 ppm2      4.827 CV     1
 ASSI { 1348}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.500     1.500 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.24339E-02 ppm1      3.939 ppm2      4.794 CV     1
 ASSI { 1349}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HB3 ))
      3.300     1.400     1.400 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.21129E-02 ppm1      3.936 ppm2      2.095 CV     1
 OR { 1349}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 1351}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 44   and name HB3 ))
      3.800     1.800     1.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.53075E-03 ppm1      3.929 ppm2      2.009 CV     1
 ASSI { 1352}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.600     1.600     1.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.16301E-02 ppm1      3.802 ppm2      2.564 CV     1
 ASSI { 1354}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG2 ))
      2.100     0.500     0.500 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.14078E-01 ppm1      3.781 ppm2      2.113 CV     1
 OR { 1354}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG3 ))
 ASSI { 1355}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 47   and name HG3 ))
      3.700     1.700     1.700 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      4.124 ppm2      2.252 CV     1
 ASSI { 1357}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 43   and name HG1%)
      3.500     1.500     1.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.23859E-02 ppm1      3.782 ppm2      1.098 CV     1
 OR { 1357}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI { 1359}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.30834E-02 ppm1      3.783 ppm2      4.362 CV     1
 ASSI { 1361}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.000     0.500     0.500 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.72786E-02 ppm1      3.782 ppm2      4.127 CV     1
 ASSI { 1363}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      4.125 ppm2      4.360 CV     1
 ASSI { 1365}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.41702E-02 ppm1      4.436 ppm2      1.449 CV     1
 ASSI { 1368}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      4.000     2.000     2.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.41197E-03 ppm1      4.295 ppm2      0.802 CV     1
 ASSI { 1370}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      3.600     1.600     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.83908E-03 ppm1      4.049 ppm2      0.962 CV     1
 ASSI { 1372}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      4.700     2.700     1.300 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.40438E-03 ppm1      4.559 ppm2      1.327 CV     1
 ASSI { 1373}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      3.600     1.600     1.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      4.559 ppm2      1.663 CV     1
 ASSI { 1376}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.300     1.300     1.300 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.13117E-02 ppm1      4.048 ppm2      0.876 CV     1
 OR { 1376}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1378}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.400     1.700 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.44988E-03 ppm1      4.215 ppm2      1.322 CV     1
 ASSI { 1379}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HB% )
      2.600     0.800     0.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.47768E-02 ppm1      4.215 ppm2      1.448 CV     1
 ASSI { 1384}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 96   and name HG3 ))
      2.400     2.400     3.600 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.70516E-02 ppm1      4.246 ppm2      1.563 CV     1
 ASSI { 1385}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG3 ))
      4.200     2.200     1.800 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34373E-03 ppm1      4.149 ppm2      2.639 CV     1
 OR { 1385}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG2 ))
 ASSI { 1387}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      4.000     2.000     2.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.26538E-03 ppm1      3.931 ppm2      3.170 CV     1
 ASSI { 1388}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.800     1.000     1.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.38669E-02 ppm1      3.930 ppm2      1.787 CV     1
 OR { 1388}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1390}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      4.316 ppm2      2.181 CV     1
 ASSI { 1394}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HB% )
      2.200     0.600     0.600 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.11955E-01 ppm1      4.248 ppm2      1.645 CV     1
 ASSI { 1395}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.600     0.900     0.900 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.10185E-01 ppm1      4.307 ppm2      0.983 CV     1
 ASSI { 1396}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 95   and name HB3 ))
      2.600     0.900     0.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.40692E-02 ppm1      4.249 ppm2      4.050 CV     1
 OR { 1396}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 95   and name HB2 ))
 ASSI { 1397}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 96   and name HD3 ))
      3.200     3.200     2.800 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.16757E-02 ppm1      4.255 ppm2      1.746 CV     1
 OR { 1397}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 96   and name HD2 ))
 ASSI { 1398}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 30   and name HD1%)
      1.700     0.400     0.500 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.42461E-01 ppm1      4.326 ppm2      0.879 CV     1
 ASSI { 1399}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      3.200     1.300     1.300 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.23757E-02 ppm1      4.323 ppm2      0.796 CV     1
 ASSI { 1404}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      4.200     2.200     1.800 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.57878E-03 ppm1      4.196 ppm2      1.235 CV     1
 ASSI { 1405}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG3 ))
      3.500     1.500     1.500 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.14456E-02 ppm1      4.310 ppm2      1.307 CV     1
 ASSI { 1407}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HG3 ))
      3.700     1.700     1.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.12865E-02 ppm1      4.329 ppm2      2.437 CV     1
 OR { 1407}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HG2 ))
 ASSI { 1408}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      3.300     1.300     1.300 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      4.083 ppm2      1.233 CV     1
 ASSI { 1409}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.200     1.300     1.300 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      4.079 ppm2      1.998 CV     1
 ASSI { 1410}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.200     1.300     1.300 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.15518E-02 ppm1      4.083 ppm2      1.732 CV     1
 OR { 1410}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HD2 ))
 OR { 1410}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI { 1412}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      2.900     2.900     3.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.23707E-02 ppm1      4.082 ppm2      1.618 CV     1
 OR { 1412}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI { 1416}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      2.500     2.500     3.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.11323E-01 ppm1      3.873 ppm2      1.156 CV     1
 ASSI { 1418}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      2.600     0.800     0.800 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.28812E-02 ppm1      3.867 ppm2      1.901 CV     1
 ASSI { 1419}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      3.200     1.300     1.300 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.37153E-02 ppm1      3.865 ppm2      0.964 CV     1
 ASSI { 1420}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.000     1.100     1.100 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.20599E-02 ppm1      4.537 ppm2      2.759 CV     1
 OR { 1420}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1422}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      4.682 ppm2      3.347 CV     1
 ASSI { 1423}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HD2 ))
      3.700     1.700     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1      4.371 ppm2      3.223 CV     1
 OR { 1423}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HD3 ))
 ASSI { 1425}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
      2.700     0.900     0.900 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.68743E-02 ppm1      4.461 ppm2      0.970 CV     1
 OR { 1425}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1427}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.700     0.900     0.900 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      4.459 ppm2      1.352 CV     1
 ASSI { 1429}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.900     1.900     1.900 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.51054E-03 ppm1      4.371 ppm2      0.877 CV     1
 ASSI { 1431}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
      2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.42207E-02 ppm1      4.369 ppm2      1.912 CV     1
 ASSI { 1439}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
      5.400     3.700     0.600 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.52823E-04 ppm1      4.325 ppm2      1.563 CV     1
 ASSI { 1440}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      2.900     2.900     3.100 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.56614E-02 ppm1      4.324 ppm2      1.637 CV     1
 OR { 1440}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI { 1441}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      2.500     0.800     0.800 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.52317E-02 ppm1      4.323 ppm2      1.730 CV     1
 ASSI { 1443}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HE2 ))
      4.700     2.800     1.300 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.39428E-03 ppm1      4.323 ppm2      2.920 CV     1
 OR { 1443}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HE3 ))
 ASSI { 1445}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      2.500     2.500     3.500 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.85171E-02 ppm1      4.219 ppm2      0.567 CV     1
 ASSI { 1446}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG3 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      4.230 ppm2      1.748 CV     1
 ASSI { 1447}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      2.600     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.31845E-02 ppm1      4.223 ppm2      1.306 CV     1
 ASSI { 1448}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.000     1.100     1.100 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.24364E-02 ppm1      4.356 ppm2      2.146 CV     1
 ASSI { 1449}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.600     0.900     0.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.56361E-02 ppm1      4.271 ppm2      1.832 CV     1
 ASSI { 1450}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 103  and name HG2%)
      3.200     3.200     2.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.60152E-03 ppm1      4.263 ppm2      1.218 CV     1
 ASSI { 1451}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG3 ))
      2.700     0.900     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      4.272 ppm2      1.386 CV     1
 OR { 1451}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 1452}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HD3 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.16757E-02 ppm1      4.273 ppm2      1.646 CV     1
 OR { 1452}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HD2 ))
 ASSI { 1454}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.700     0.900     0.900 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.23252E-02 ppm1      4.100 ppm2      1.314 CV     1
 ASSI { 1455}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      3.200     1.300     1.300 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.42966E-02 ppm1      4.102 ppm2      0.777 CV     1
 ASSI { 1457}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      2.900     1.100     1.100 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.23581E-02 ppm1      4.105 ppm2      1.930 CV     1
 ASSI { 1458}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      3.100     1.200     1.200 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      4.105 ppm2      0.608 CV     1
 ASSI { 1463}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
      2.500     0.800     0.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.48021E-02 ppm1      3.454 ppm2      1.491 CV     1
 ASSI { 1465}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB3 ))
      2.800     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      3.456 ppm2      1.257 CV     1
 ASSI { 1468}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.34120E-02 ppm1      4.482 ppm2      2.891 CV     1
 ASSI { 1469}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.700     0.900     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      4.481 ppm2      3.010 CV     1
 ASSI { 1472}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.800     1.000     1.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      4.430 ppm2      3.721 CV     1
 ASSI { 1473}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG3 ))
      3.100     1.200     1.200 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      4.431 ppm2      2.258 CV     1
 ASSI { 1476}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      4.100     2.100     1.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.55603E-03 ppm1      4.428 ppm2      1.098 CV     1
 OR { 1476}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI { 1477}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.21609E-02 ppm1      3.464 ppm2      1.846 CV     1
 ASSI { 1479}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.900     1.900     1.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.53075E-03 ppm1      4.428 ppm2      3.498 CV     1
 ASSI { 1480}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      4.429 ppm2      1.980 CV     1
 ASSI { 1481}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.32604E-03 ppm1      4.286 ppm2      0.794 CV     1
 ASSI { 1486}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.000     2.000     2.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.36648E-03 ppm1      4.316 ppm2      2.605 CV     1
 OR { 1486}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 1490}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.900     3.000     1.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      3.822 ppm2      1.748 CV     1
 ASSI { 1491}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.31340E-02 ppm1      3.823 ppm2      2.162 CV     1
 ASSI { 1492}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      3.500     1.500     1.500 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.18349E-02 ppm1      3.823 ppm2      1.602 CV     1
 OR { 1492}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
 OR { 1492}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI { 1494}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.700     0.900     0.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      3.822 ppm2      1.476 CV     1
 ASSI { 1496}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 86   and name HG12))
      3.900     1.900     1.900 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.56361E-03 ppm1      3.828 ppm2      0.688 CV     1
 OR { 1496}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 1509}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.500     1.600     1.600 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.90484E-03 ppm1      4.543 ppm2      2.480 CV     1
 ASSI { 1510}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.000     1.100     1.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      4.217 ppm2      2.490 CV     1
 ASSI { 1512}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.400     1.400 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      4.000 ppm2      0.963 CV     1
 ASSI { 1514}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG  ))
      3.800     1.800     1.800 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.68494E-03 ppm1      3.999 ppm2      1.903 CV     1
 ASSI { 1517}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HG13))
      4.100     2.100     1.900 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.45241E-03 ppm1      3.996 ppm2      1.200 CV     1
 ASSI { 1518}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.400     1.500     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.41955E-02 ppm1      3.312 ppm2      1.312 CV     1
 ASSI { 1519}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.300     0.700     0.700 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.61669E-02 ppm1      3.313 ppm2      0.896 CV     1
 ASSI { 1521}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      2.600     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      3.312 ppm2      0.630 CV     1
 ASSI { 1523}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.400     1.500     1.500 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.70261E-03 ppm1      3.316 ppm2      1.398 CV     1
 ASSI { 1525}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.000     1.200     1.200 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.15064E-02 ppm1      4.214 ppm2      2.081 CV     1
 ASSI { 1526}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.14937E-02 ppm1      4.217 ppm2      2.138 CV     1
 ASSI { 1527}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.000     1.100     1.100 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.24162E-02 ppm1      3.714 ppm2      2.140 CV     1
 OR { 1527}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
 ASSI { 1528}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.22190E-02 ppm1      3.317 ppm2      1.733 CV     1
 ASSI { 1529}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
      2.000     0.500     0.500 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.11120E-01 ppm1      3.720 ppm2      1.018 CV     1
 ASSI { 1530}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300     0.700     0.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.48021E-02 ppm1      3.712 ppm2      1.288 CV     1
 ASSI { 1532}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
      3.400     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.19815E-02 ppm1      3.716 ppm2      0.696 CV     1
 ASSI { 1533}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.900     1.000     1.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.30329E-02 ppm1      4.189 ppm2      2.746 CV     1
 ASSI { 1538}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.700     0.900     0.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      4.190 ppm2      2.312 CV     1
 ASSI { 1539}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      3.571 ppm2      1.275 CV     1
 ASSI { 1542}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.100     1.200     1.200 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.21761E-02 ppm1      3.903 ppm2      1.554 CV     1
 ASSI { 1543}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      3.904 ppm2      1.738 CV     1
 OR { 1543}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI { 1547}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.800     1.000     1.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      4.292 ppm2      3.328 CV     1
 ASSI { 1548}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD2%)
      2.500     0.800     0.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.61922E-02 ppm1      4.104 ppm2      0.913 CV     1
 OR { 1548}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 1549}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.700     0.900     0.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.20725E-02 ppm1      4.296 ppm2      1.466 CV     1
 ASSI { 1552}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      3.300     1.300     1.300 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.10539E-02 ppm1      4.291 ppm2      1.245 CV     1
 ASSI { 1553}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      3.600     1.600     1.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.14002E-02 ppm1      4.295 ppm2      1.683 CV     1
 ASSI { 1556}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.500     0.800     0.800 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      4.076 ppm2      0.991 CV     1
 OR { 1556}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 1562}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.900     0.900 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.38417E-02 ppm1      4.100 ppm2      2.732 CV     1
 ASSI { 1566}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      3.200     1.200     1.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      4.484 ppm2      3.838 CV     1
 ASSI { 1570}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG2 ))
      2.400     0.700     0.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.48779E-02 ppm1      3.942 ppm2      2.659 CV     1
 ASSI { 1572}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      2.900     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.20674E-02 ppm1      3.941 ppm2      1.146 CV     1
 ASSI { 1573}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HB  ))
      3.000     1.100     1.100 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.17970E-02 ppm1      3.941 ppm2      2.373 CV     1
 ASSI { 1575}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.800     1.000     1.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.18956E-02 ppm1      3.938 ppm2      1.616 CV     1
 ASSI { 1576}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.45746E-02 ppm1      4.484 ppm2      2.021 CV     1
 OR { 1576}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 1578}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 93   and name HG1%)
      3.800     1.800     1.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.55098E-03 ppm1      3.936 ppm2      1.038 CV     1
 ASSI { 1579}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.58888E-02 ppm1      4.010 ppm2      1.923 CV     1
 OR { 1579}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI { 1581}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HD2 ))
      3.900     1.900     1.900 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      4.008 ppm2      1.690 CV     1
 OR { 1581}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HD3 ))
 ASSI { 1582}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
      2.700     0.900     0.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.28812E-02 ppm1      4.009 ppm2      1.503 CV     1
 ASSI { 1583}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.300     0.700     0.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.87952E-02 ppm1      4.184 ppm2      2.114 CV     1
 OR { 1583}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1585}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.500     0.800     0.800 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.50295E-02 ppm1      3.993 ppm2      1.938 CV     1
 OR { 1585}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1586}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
      4.100     2.100     1.900 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.10211E-02 ppm1      4.113 ppm2      1.034 CV     1
 ASSI { 1587}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.400     0.700     0.700 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.70764E-02 ppm1      4.115 ppm2      2.172 CV     1
 OR { 1587}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
 ASSI { 1588}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.900     1.900     1.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.39428E-03 ppm1      4.115 ppm2      1.271 CV     1
 ASSI { 1591}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG3 ))
      2.900     1.100     1.100 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      4.017 ppm2      1.546 CV     1
 ASSI { 1597}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.48779E-02 ppm1      4.362 ppm2      3.409 CV     1
 OR { 1597}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
 ASSI { 1598}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      2.300     2.300     3.700 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.12839E-01 ppm1      2.782 ppm2      1.120 CV     1
 ASSI { 1599}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      3.000     1.100     1.100 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.18703E-02 ppm1      4.365 ppm2      2.743 CV     1
 ASSI { 1601}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.62680E-03 ppm1      2.769 ppm2      3.224 CV     1
 ASSI { 1602}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      2.772 ppm2      1.299 CV     1
 OR { 1602}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI { 1604}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.11929E-02 ppm1      3.753 ppm2      1.783 CV     1
 OR { 1604}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
 ASSI { 1608}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG3 ))
      5.200     3.400     0.800 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.98067E-04 ppm1      3.853 ppm2      0.529 CV     1
 ASSI { 1610}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
      2.500     2.500     3.500 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.11803E-01 ppm1      3.854 ppm2      1.368 CV     1
 OR { 1610}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HD3 ))
 ASSI { 1615}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     5.400     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.19789E-04 ppm1      4.366 ppm2      4.784 CV     1
 ASSI { 1616}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG2 ))
      5.200     3.300     0.800 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.20725E-03 ppm1      3.853 ppm2      1.464 CV     1
 ASSI { 1623}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 102  and name HG3 ))
      6.000     6.000     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.21382E-04 ppm1      3.848 ppm2      1.074 CV     1
 ASSI { 1624}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      5.800     4.300     0.200 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.43219E-04 ppm1      4.544 ppm2      1.231 CV     1
 ASSI { 1630}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      4.100     2.100     1.900 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.24819E-03 ppm1      3.755 ppm2      0.919 CV     1
 OR { 1630}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1632}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      3.700     1.700     1.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.87193E-03 ppm1      2.769 ppm2      0.999 CV     1
 OR { 1632}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 1634}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 97   and name HE% )
      3.800     3.800     2.200 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      4.454 ppm2      7.222 CV     1
 ASSI { 1635}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      2.900     1.100     1.100 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.22924E-02 ppm1      4.453 ppm2      7.122 CV     1
 ASSI { 1636}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      4.455 ppm2      3.316 CV     1
 ASSI { 1639}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HB% )
      3.400     1.500     1.500 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      4.452 ppm2      1.587 CV     1
 ASSI { 1640}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     3.300     2.700 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.14508E-02 ppm1      4.239 ppm2      1.734 CV     1
 OR { 1640}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI { 1641}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.63943E-02 ppm1      4.238 ppm2      3.197 CV     1
 ASSI { 1643}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.300     0.700     0.700 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.10286E-01 ppm1      4.233 ppm2      2.918 CV     1
 ASSI { 1644}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.100     2.100     1.900 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.84164E-03 ppm1      4.484 ppm2      1.317 CV     1
 ASSI { 1649}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.500     0.800     0.800 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.55603E-02 ppm1      4.224 ppm2      1.105 CV     1
 OR { 1649}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI { 1650}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
      3.100     1.200     1.200 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      4.373 ppm2      0.643 CV     1
 ASSI { 1652}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.500     0.800     0.800 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.43724E-02 ppm1      4.374 ppm2      3.394 CV     1
 ASSI { 1653}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.800     1.000     1.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      4.375 ppm2      3.536 CV     1
 ASSI { 1654}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.46504E-03 ppm1      4.372 ppm2      2.054 CV     1
 OR { 1654}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI { 1655}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      2.700     0.900     0.900 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.68743E-02 ppm1      4.371 ppm2      7.304 CV     1
 ASSI { 1656}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.600     2.600     3.400 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.44482E-02 ppm1      4.373 ppm2      3.886 CV     1
 OR { 1656}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 1659}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      1.900     0.400     0.400 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.33109E-01 ppm1      4.099 ppm2      0.877 CV     1
 ASSI { 1661}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HG13))
      3.100     1.200     1.200 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      4.098 ppm2      1.462 CV     1
 ASSI { 1663}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.500     1.500     1.500 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.72786E-03 ppm1      3.768 ppm2      1.936 CV     1
 OR { 1663}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI { 1665}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.600     0.900     0.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      3.997 ppm2      1.933 CV     1
 OR { 1665}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 1667}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 80   and name HG2%)
      3.000     1.100     1.100 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      4.177 ppm2      1.196 CV     1
 ASSI { 1668}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.100     1.200     1.200 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      4.001 ppm2      1.647 CV     1
 ASSI { 1669}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.400     1.400     1.400 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.93264E-03 ppm1      4.176 ppm2      4.027 CV     1
 OR { 1669}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 1671}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      4.700     2.800     1.300 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.15872E-03 ppm1      3.996 ppm2      0.943 CV     1
 ASSI { 1672}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      4.300     2.300     1.700 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.51306E-03 ppm1      4.018 ppm2      1.763 CV     1
 OR { 1672}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1673}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.000     1.100     1.100 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      3.986 ppm2      0.641 CV     1
 ASSI { 1675}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     3.400     2.600 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.21736E-02 ppm1      4.111 ppm2      4.488 CV     1
 ASSI { 1676}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
      3.300     1.300     1.300 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.91995E-03 ppm1      4.109 ppm2      0.638 CV     1
 ASSI { 1677}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      3.500     1.500     1.500 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.14103E-02 ppm1      4.109 ppm2      1.275 CV     1
 ASSI { 1679}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.100     0.600     0.600 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.11374E-01 ppm1      4.108 ppm2      3.995 CV     1
 OR { 1679}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 1680}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 93   and name HG1%)
      1.700     0.400     0.500 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.35637E-01 ppm1      4.107 ppm2      1.030 CV     1
 ASSI { 1681}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 93   and name HG1%)
      2.900     1.000     1.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      3.989 ppm2      1.029 CV     1
 OR { 1681}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 93   and name HG1%)
 ASSI { 1682}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.800     1.000     1.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      4.043 ppm2      1.654 CV     1
 OR { 1682}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 1683}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      2.200     0.600     0.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.10590E-01 ppm1      4.047 ppm2      4.243 CV     1
 OR { 1683}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1684}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 93   and name HG2%)
      2.600     0.900     0.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.36648E-02 ppm1      3.982 ppm2      1.261 CV     1
 OR { 1684}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 1686}
   (( segid "    " and resid 95   and name HB2 ))
   (  segid "    " and resid 91   and name HB% )
      4.300     2.300     1.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.29570E-03 ppm1      4.049 ppm2      1.480 CV     1
 OR { 1686}
   (( segid "    " and resid 95   and name HB3 ))
   (  segid "    " and resid 91   and name HB% )
 ASSI { 1688}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.200     0.600     0.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.11904E-01 ppm1      3.957 ppm2      4.243 CV     1
 OR { 1688}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1689}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.200     1.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      3.964 ppm2      3.779 CV     1
 OR { 1689}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1692}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 103  and name HG2%)
      2.800     0.900     0.900 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.34373E-02 ppm1      4.176 ppm2      1.224 CV     1
 ASSI { 1694}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.200     0.600     0.600 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.10185E-01 ppm1      3.981 ppm2      3.364 CV     1
 OR { 1694}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI { 1697}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.700     0.900     0.900 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      4.508 ppm2      2.019 CV     1
 OR { 1697}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 1698}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     1.000     1.000 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.36394E-02 ppm1      4.509 ppm2      2.306 CV     1
 ASSI { 1700}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 67   and name HG3 ))
      3.700     1.700     1.700 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      3.222 ppm2      2.274 CV     1
 ASSI { 1704}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      2.900     1.000     1.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.24137E-02 ppm1      3.221 ppm2      1.243 CV     1
 ASSI { 1705}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG13))
      2.900     1.100     1.100 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.20573E-02 ppm1      3.216 ppm2      0.782 CV     1
 ASSI { 1710}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG13))
      2.600     0.800     0.800 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.23808E-02 ppm1      3.876 ppm2      1.135 CV     1
 ASSI { 1711}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      3.400     1.400     1.400 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.20219E-02 ppm1      3.876 ppm2      1.799 CV     1
 ASSI { 1713}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.800     1.800     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.95031E-03 ppm1      4.450 ppm2      3.719 CV     1
 ASSI { 1714}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.000     1.100     1.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      3.876 ppm2      2.015 CV     1
 ASSI { 1715}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.700     0.900     0.900 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      4.452 ppm2      1.951 CV     1
 ASSI { 1716}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.200     1.200     1.200 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.43471E-02 ppm1      4.453 ppm2      2.104 CV     1
 ASSI { 1717}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 53   and name HB% )
      2.600     0.800     0.800 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      4.453 ppm2      1.418 CV     1
 ASSI { 1718}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.800     0.900     0.900 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.51306E-02 ppm1      4.452 ppm2      2.321 CV     1
 ASSI { 1719}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.300     1.400     1.400 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      4.451 ppm2      3.487 CV     1
 ASSI { 1720}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD3 ))
      3.700     1.700     1.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.65965E-03 ppm1      3.997 ppm2      3.041 CV     1
 ASSI { 1721}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.700     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.29318E-02 ppm1      3.996 ppm2      1.949 CV     1
 OR { 1721}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI { 1722}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.17692E-02 ppm1      3.998 ppm2      3.776 CV     1
 ASSI { 1724}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      2.300     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.72538E-02 ppm1      3.690 ppm2      0.950 CV     1
 OR { 1724}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG12))
 ASSI { 1725}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
      2.600     0.900     0.900 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.35384E-02 ppm1      3.690 ppm2      0.638 CV     1
 ASSI { 1727}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG13))
      2.700     0.900     0.900 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.47515E-02 ppm1      3.689 ppm2      1.973 CV     1
 ASSI { 1728}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.900     1.000     1.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.18602E-02 ppm1      3.690 ppm2      3.406 CV     1
 ASSI { 1730}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.30329E-02 ppm1      4.313 ppm2      0.968 CV     1
 ASSI { 1731}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.50043E-02 ppm1      4.314 ppm2      1.918 CV     1
 OR { 1731}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
 ASSI { 1734}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.900     1.000     1.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      4.309 ppm2      1.356 CV     1
 ASSI { 1736}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HG3 ))
      3.300     1.300     1.300 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.66471E-03 ppm1      3.747 ppm2      1.559 CV     1
 ASSI { 1743}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HD3 ))
      3.400     1.400     1.400 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      4.254 ppm2      3.867 CV     1
 ASSI { 1745}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      4.300     2.300     1.700 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.37911E-03 ppm1      4.246 ppm2      1.274 CV     1
 OR { 1745}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI { 1746}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      3.300     1.400     1.400 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      4.244 ppm2      1.107 CV     1
 ASSI { 1748}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.700     0.900     0.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      4.242 ppm2      2.093 CV     1
 OR { 1748}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 1749}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 36   and name HD3 ))
      3.000     1.200     1.200 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      4.241 ppm2      2.699 CV     1
 ASSI { 1751}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      4.242 ppm2      3.004 CV     1
 OR { 1751}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1752}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.600     0.900     0.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.43724E-02 ppm1      3.865 ppm2      1.227 CV     1
 ASSI { 1754}
   (( segid "    " and resid 77   and name HB  ))
   (  segid "    " and resid 77   and name HG2%)
      2.500     0.800     0.800 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.55350E-02 ppm1      4.298 ppm2      1.235 CV     1
 ASSI { 1756}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      4.299 ppm2      3.869 CV     1
 ASSI { 1757}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      3.900 ppm2      4.009 CV     1
 ASSI { 1758}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      3.000     1.100     1.100 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      3.902 ppm2      0.978 CV     1
 ASSI { 1760}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 86   and name HG12))
      4.700     2.800     1.300 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.30076E-03 ppm1      4.303 ppm2      0.695 CV     1
 OR { 1760}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI { 1761}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 80   and name HG2%)
      2.400     0.700     0.700 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.64449E-02 ppm1      4.302 ppm2      1.197 CV     1
 ASSI { 1762}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.46757E-02 ppm1      4.303 ppm2      4.974 CV     1
 ASSI { 1763}
   (( segid "    " and resid 80   and name HB  ))
   (  segid "    " and resid 91   and name HB% )
      3.800     1.800     1.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      4.301 ppm2      1.488 CV     1
 ASSI { 1765}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     1.200     1.200 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.24238E-02 ppm1      4.467 ppm2      0.900 CV     1
 OR { 1765}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {    3}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      4.700     2.700     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16796E-03 ppm1      7.972 ppm2      3.882 CV     1
 ASSI {    4}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      5.400     3.600     0.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.92647E-04 ppm1      7.982 ppm2      1.779 CV     1
 OR {    4}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {    5}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.24989E-02 ppm1      7.986 ppm2      0.763 CV     1
 ASSI {    6}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.75311E-03 ppm1      7.708 ppm2      1.294 CV     1
 ASSI {    7}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.200     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.83190E-03 ppm1      7.706 ppm2      2.026 CV     1
 OR {    7}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI {    8}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      7.711 ppm2      1.737 CV     1
 ASSI {    9}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      7.712 ppm2      1.611 CV     1
 OR {    9}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI {   11}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      3.700     1.700     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      7.713 ppm2      0.768 CV     1
 ASSI {   12}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.39705E-02 ppm1      8.519 ppm2      3.966 CV     1
 OR {   12}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
 ASSI {   13}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.26785E-02 ppm1      8.519 ppm2      4.292 CV     1
 ASSI {   14}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA2 ))
      2.300     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.69643E-02 ppm1      7.711 ppm2      4.268 CV     1
 ASSI {   15}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA1 ))
      2.300     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.79093E-02 ppm1      7.710 ppm2      4.034 CV     1
 ASSI {   16}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak    16 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      7.712 ppm2      9.183 CV     1
 ASSI {   17}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      2.900     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.18686E-02 ppm1      7.711 ppm2      3.875 CV     1
 ASSI {   18}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      3.300     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      8.520 ppm2      1.427 CV     1
 ASSI {   19}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      4.100     2.100     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      7.713 ppm2      1.448 CV     1
 ASSI {   20}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14086E-02 ppm1      8.203 ppm2      3.844 CV     1
 ASSI {   21}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.64599E-03 ppm1      8.403 ppm2      2.320 CV     1
 ASSI {   22}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.300     1.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.92647E-03 ppm1      8.409 ppm2      8.130 CV     1
 ASSI {   23}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.20262E-02 ppm1      8.399 ppm2      4.503 CV     1
 ASSI {   24}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      8.204 ppm2      4.006 CV     1
 ASSI {   25}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG3 ))
      3.600     1.600     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.10304E-02 ppm1      8.405 ppm2      2.040 CV     1
 OR {   25}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {   25}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {   26}
   (( segid "    " and resid 90   and name HE22))
   (( segid "    " and resid 90   and name HG2 ))
      3.400     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.18245E-02 ppm1      7.639 ppm2      2.670 CV     1
 ASSI {   27}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.28676E-02 ppm1      8.402 ppm2      3.969 CV     1
 OR {   27}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {   28}
   (( segid "    " and resid 90   and name HE21))
   (( segid "    " and resid 55   and name HG3 ))
      3.400     1.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.90752E-03 ppm1      6.892 ppm2      1.729 CV     1
 ASSI {   29}
   (( segid "    " and resid 90   and name HE22))
   (( segid "    " and resid 90   and name HE21))
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.62393E-02 ppm1      7.639 ppm2      6.894 CV     1
 ASSI {   30}
   (( segid "    " and resid 90   and name HE22))
   (( segid "    " and resid 90   and name HG3 ))
      3.800     1.800     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      7.637 ppm2      2.479 CV     1
 ASSI {   31}
   (( segid "    " and resid 90   and name HE21))
   (( segid "    " and resid 90   and name HG3 ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11785E-02 ppm1      6.896 ppm2      2.489 CV     1
 ASSI {   33}
   (( segid "    " and resid 90   and name HE21))
   (  segid "    " and resid 12   and name HD1%)
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.16291E-02 ppm1      6.901 ppm2      1.297 CV     1
 ASSI {   34}
   (( segid "    " and resid 90   and name HE22))
   (( segid "    " and resid 90   and name HB3 ))
      3.400     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      7.648 ppm2      1.598 CV     1
 ASSI {   35}
   (( segid "    " and resid 90   and name HE22))
   (  segid "    " and resid 12   and name HD1%)
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.71530E-03 ppm1      7.640 ppm2      1.288 CV     1
 ASSI {   36}
   (( segid "    " and resid 90   and name HE21))
   (( segid "    " and resid 90   and name HG2 ))
      3.300     1.400     1.400 peak    36 spectrum    1 weight  0.10000E+01 volume  0.88550E-03 ppm1      6.898 ppm2      2.654 CV     1
 OR {   36}
   (( segid "    " and resid 90   and name HE21))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.26659E-02 ppm1      8.112 ppm2      8.718 CV     1
 ASSI {   41}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 90   and name HE21))
      3.100     1.200     1.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.20231E-02 ppm1      8.288 ppm2      6.869 CV     1
 ASSI {   44}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      2.800     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.45062E-02 ppm1      8.112 ppm2      3.862 CV     1
 ASSI {   45}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.111 ppm2      4.313 CV     1
 ASSI {   47}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
      3.200     1.300     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.15157E-02 ppm1      8.112 ppm2      0.970 CV     1
 OR {   47}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI {   48}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.48528E-03 ppm1      8.114 ppm2      7.520 CV     1
 ASSI {   49}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.100     2.100     3.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.19411E-01 ppm1      8.112 ppm2      4.631 CV     1
 ASSI {   50}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.700     2.800     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.24485E-03 ppm1      8.276 ppm2      9.327 CV     1
 ASSI {   51}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.67749E-03 ppm1      8.279 ppm2      8.705 CV     1
 ASSI {   52}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      8.277 ppm2      2.604 CV     1
 ASSI {   53}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.300     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.41281E-02 ppm1      8.278 ppm2      2.290 CV     1
 ASSI {   54}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.72477E-02 ppm1      8.277 ppm2      4.867 CV     1
 ASSI {   55}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      3.400     1.400     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.31071E-02 ppm1      8.277 ppm2      0.736 CV     1
 ASSI {   56}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      2.600     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.45692E-02 ppm1      8.277 ppm2      1.307 CV     1
 ASSI {   57}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.600     1.600     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.23917E-02 ppm1      8.279 ppm2      1.605 CV     1
 ASSI {   58}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.400     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      8.277 ppm2      7.708 CV     1
 ASSI {   59}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12605E-02 ppm1      8.282 ppm2      7.334 CV     1
 ASSI {   60}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.91068E-03 ppm1      8.470 ppm2      2.310 CV     1
 OR {   60}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {   61}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.700     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.34348E-02 ppm1      8.470 ppm2      4.088 CV     1
 ASSI {   62}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.800     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.29873E-02 ppm1      8.471 ppm2      3.965 CV     1
 ASSI {   63}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.40335E-02 ppm1      8.471 ppm2      4.270 CV     1
 ASSI {   65}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.98000E-03 ppm1      8.468 ppm2      2.124 CV     1
 ASSI {   66}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      2.200     0.600     0.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.95165E-02 ppm1      8.521 ppm2      4.034 CV     1
 OR {   66}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
 ASSI {   69}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 34   and name HG  ))
      4.200     2.200     1.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19947E-03 ppm1      6.714 ppm2      1.567 CV     1
 ASSI {   70}
   (( segid "    " and resid 38   and name HE21))
   (  segid "    " and resid 34   and name HD1%)
      3.400     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.67120E-03 ppm1      6.722 ppm2      0.900 CV     1
 OR {   70}
   (( segid "    " and resid 38   and name HE21))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {   71}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      5.800     4.300     0.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.40020E-04 ppm1      8.307 ppm2      2.764 CV     1
 ASSI {   72}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 38   and name HG2 ))
      4.400     2.400     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.55776E-03 ppm1      7.313 ppm2      2.504 CV     1
 ASSI {   73}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 38   and name HG3 ))
      3.300     1.400     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1      6.716 ppm2      2.367 CV     1
 ASSI {   74}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.600     2.600     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.24579E-03 ppm1      8.303 ppm2      2.484 CV     1
 ASSI {   75}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 38   and name HG3 ))
      4.000     2.000     2.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      7.313 ppm2      2.366 CV     1
 ASSI {   76}
   (( segid "    " and resid 38   and name HE22))
   (  segid "    " and resid 34   and name HD1%)
      3.500     1.500     1.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.91068E-03 ppm1      7.313 ppm2      0.908 CV     1
 ASSI {   78}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 38   and name HE22))
      1.900     0.400     0.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.12699E-01 ppm1      6.721 ppm2      7.316 CV     1
 ASSI {   80}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      8.303 ppm2      1.278 CV     1
 OR {   80}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {   81}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.43171E-02 ppm1      8.304 ppm2      3.954 CV     1
 OR {   81}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {   82}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      8.302 ppm2      3.767 CV     1
 ASSI {   83}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.30976E-02 ppm1      8.301 ppm2      1.545 CV     1
 ASSI {   84}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.66490E-03 ppm1      8.307 ppm2      4.530 CV     1
 ASSI {   85}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10304E-02 ppm1      8.302 ppm2      4.112 CV     1
 ASSI {   87}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 38   and name HB2 ))
      3.800     1.800     1.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      7.314 ppm2      2.163 CV     1
 ASSI {   88}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 38   and name HG2 ))
      3.400     1.400     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.52310E-03 ppm1      6.726 ppm2      2.504 CV     1
 ASSI {   90}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.21302E-03 ppm1      8.308 ppm2      0.354 CV     1
 ASSI {   91}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HD3 ))
      2.800     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.33087E-02 ppm1      8.309 ppm2      2.688 CV     1
 ASSI {   92}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HG3 ))
      3.700     1.700     1.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.16701E-02 ppm1      7.521 ppm2      2.470 CV     1
 ASSI {   93}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      7.523 ppm2      4.094 CV     1
 ASSI {   94}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HB3 ))
      4.200     2.200     1.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.46953E-03 ppm1      7.523 ppm2      1.989 CV     1
 ASSI {   95}
   (( segid "    " and resid 71   and name HE21))
   (( segid "    " and resid 71   and name HE22))
      1.800     0.400     0.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.15504E-01 ppm1      6.893 ppm2      7.522 CV     1
 ASSI {   97}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HG2 ))
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13613E-02 ppm1      7.523 ppm2      2.727 CV     1
 ASSI {   98}
   (( segid "    " and resid 71   and name HE22))
   (( segid "    " and resid 71   and name HB2 ))
      4.000     2.000     2.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      7.521 ppm2      2.260 CV     1
 ASSI {   99}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 21   and name HA  ))
      4.400     2.500     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.65229E-03 ppm1      7.466 ppm2      4.322 CV     1
 ASSI {  100}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 45   and name HB2 ))
      4.100     2.100     1.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.53885E-03 ppm1      6.855 ppm2      2.534 CV     1
 ASSI {  101}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     3.500     2.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      7.462 ppm2      2.535 CV     1
 ASSI {  102}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HE22))
      1.800     0.400     0.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13865E-01 ppm1      6.855 ppm2      7.462 CV     1
 ASSI {  105}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 35   and name HB2 ))
      6.000     4.600     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.13424E-03 ppm1      7.465 ppm2      2.196 CV     1
 ASSI {  107}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      3.000     3.000     3.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.20010E-02 ppm1      7.782 ppm2      0.681 CV     1
 OR {  107}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  110}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.36554E-02 ppm1      7.784 ppm2      1.183 CV     1
 ASSI {  111}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      7.784 ppm2      4.968 CV     1
 ASSI {  112}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.34348E-02 ppm1      7.784 ppm2      7.284 CV     1
 ASSI {  113}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.600     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      7.783 ppm2      1.848 CV     1
 ASSI {  115}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.74680E-03 ppm1      7.783 ppm2      2.137 CV     1
 ASSI {  117}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.500     2.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.58927E-03 ppm1      7.786 ppm2      7.018 CV     1
 ASSI {  118}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     2.600     3.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.52310E-02 ppm1      7.774 ppm2      4.070 CV     1
 ASSI {  120}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 83   and name HE22))
      1.800     0.400     0.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.16323E-01 ppm1      6.902 ppm2      7.595 CV     1
 ASSI {  122}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.72477E-03 ppm1      7.757 ppm2      9.158 CV     1
 ASSI {  123}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.31071E-02 ppm1      7.757 ppm2      8.446 CV     1
 ASSI {  124}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.37184E-02 ppm1      7.756 ppm2      4.252 CV     1
 ASSI {  126}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.400     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.60187E-02 ppm1      7.756 ppm2      3.893 CV     1
 OR {  126}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  127}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
      3.300     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.19443E-02 ppm1      7.755 ppm2      1.698 CV     1
 ASSI {  128}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.300     1.400     1.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.14464E-02 ppm1      7.757 ppm2      1.799 CV     1
 ASSI {  129}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HE2 ))
      4.500     2.500     1.500 peak   129 spectrum    1 weight  0.10000E+01 volume  0.24075E-03 ppm1      7.754 ppm2      2.646 CV     1
 ASSI {  131}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.24989E-02 ppm1      7.657 ppm2      3.483 CV     1
 ASSI {  133}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG3 ))
      3.100     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.85084E-03 ppm1      7.757 ppm2      0.522 CV     1
 ASSI {  134}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      4.300     2.300     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.38759E-03 ppm1      7.657 ppm2      1.507 CV     1
 ASSI {  135}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.60818E-02 ppm1      7.658 ppm2      4.209 CV     1
 OR {  135}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
 ASSI {  136}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      2.900     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.25524E-02 ppm1      7.658 ppm2      1.235 CV     1
 ASSI {  137}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HD2 ))
      3.500     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.17237E-02 ppm1      7.755 ppm2      1.409 CV     1
 ASSI {  138}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      4.900     3.000     1.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.38129E-03 ppm1      7.752 ppm2      2.300 CV     1
 ASSI {  139}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG3 ))
      4.000     2.000     2.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.64284E-03 ppm1      7.660 ppm2      1.036 CV     1
 ASSI {  141}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.800     1.800     1.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.55461E-03 ppm1      7.659 ppm2      3.840 CV     1
 ASSI {  142}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.200     3.200     2.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      8.044 ppm2      3.986 CV     1
 ASSI {  143}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   143 spectrum    1 weight  0.10000E+01 volume  0.96112E-03 ppm1      8.043 ppm2      4.531 CV     1
 ASSI {  144}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.100     2.100     1.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.22878E-03 ppm1      8.042 ppm2      0.991 CV     1
 ASSI {  145}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      4.300     2.300     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.53255E-03 ppm1      8.044 ppm2      2.757 CV     1
 OR {  145}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  147}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.500     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.10872E-02 ppm1      7.323 ppm2      2.294 CV     1
 ASSI {  148}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      3.300     1.300     1.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.24737E-02 ppm1      7.324 ppm2      1.325 CV     1
 ASSI {  149}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      2.200     0.600     0.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.50419E-02 ppm1      7.323 ppm2      0.667 CV     1
 ASSI {  150}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.800     1.800     1.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.74055E-03 ppm1      7.328 ppm2      1.842 CV     1
 ASSI {  151}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      2.600     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.31260E-02 ppm1      7.325 ppm2      0.756 CV     1
 ASSI {  152}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA1 ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.40020E-02 ppm1      7.324 ppm2      4.037 CV     1
 ASSI {  153}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.44747E-02 ppm1      7.324 ppm2      4.947 CV     1
 ASSI {  154}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA2 ))
      2.400     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      7.323 ppm2      4.280 CV     1
 ASSI {  155}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.000     3.000     3.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.61763E-02 ppm1      7.332 ppm2      1.591 CV     1
 ASSI {  156}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.95797E-03 ppm1      7.327 ppm2      2.148 CV     1
 ASSI {  157}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.800     1.800     1.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.90121E-03 ppm1      7.324 ppm2      1.184 CV     1
 ASSI {  158}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.800     1.800     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.14212E-02 ppm1      7.324 ppm2      7.715 CV     1
 ASSI {  161}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.500     2.600     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.41911E-03 ppm1      8.446 ppm2      1.300 CV     1
 ASSI {  163}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 14   and name HA2 ))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.40020E-03 ppm1      7.149 ppm2      4.005 CV     1
 ASSI {  164}
   (( segid "    " and resid 70   and name HD22))
   (( segid "    " and resid 70   and name HB3 ))
      4.400     2.400     1.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.55145E-03 ppm1      7.883 ppm2      2.878 CV     1
 ASSI {  165}
   (( segid "    " and resid 17   and name HD22))
   (( segid "    " and resid 17   and name HB3 ))
      3.800     1.800     1.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.10872E-02 ppm1      7.722 ppm2      2.992 CV     1
 ASSI {  166}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 70   and name HB2 ))
      3.400     1.500     1.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.63024E-03 ppm1      7.046 ppm2      3.032 CV     1
 ASSI {  167}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 70   and name HD22))
      1.900     0.400     0.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.14275E-01 ppm1      7.046 ppm2      7.882 CV     1
 ASSI {  170}
   (( segid "    " and resid 70   and name HD22))
   (( segid "    " and resid 70   and name HB2 ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.99894E-03 ppm1      7.883 ppm2      3.031 CV     1
 ASSI {  172}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 17   and name HD22))
      1.900     0.400     0.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.13897E-01 ppm1      7.148 ppm2      7.725 CV     1
 ASSI {  174}
   (( segid "    " and resid 17   and name HD22))
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.74055E-03 ppm1      7.724 ppm2      2.882 CV     1
 ASSI {  175}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 70   and name HB3 ))
      3.800     1.800     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.46953E-03 ppm1      7.050 ppm2      2.862 CV     1
 ASSI {  176}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20010E-03 ppm1      8.442 ppm2      7.620 CV     1
 ASSI {  177}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.45062E-02 ppm1      8.448 ppm2      3.958 CV     1
 OR {  177}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI {  178}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HB% )
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.27005E-02 ppm1      8.447 ppm2      1.448 CV     1
 ASSI {  179}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      8.448 ppm2      4.232 CV     1
 ASSI {  180}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 17   and name HB3 ))
      3.300     1.400     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.88550E-03 ppm1      7.145 ppm2      2.999 CV     1
 ASSI {  181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.18686E-02 ppm1      8.449 ppm2      8.189 CV     1
 ASSI {  182}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.22436E-02 ppm1      8.448 ppm2      6.916 CV     1
 ASSI {  184}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HG  ))
      3.800     1.800     1.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      6.168 ppm2      2.105 CV     1
 OR {  184}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  185}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 80   and name HG2%)
      3.000     3.000     3.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.24138E-02 ppm1      6.165 ppm2      1.219 CV     1
 ASSI {  190}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      6.164 ppm2      7.880 CV     1
 ASSI {  193}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HE21))
      1.800     0.400     0.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.89497E-02 ppm1      6.881 ppm2      6.168 CV     1
 ASSI {  195}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG13))
      3.500     1.600     1.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.16260E-02 ppm1      8.675 ppm2      1.999 CV     1
 ASSI {  196}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.700     2.800     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.18340E-03 ppm1      8.679 ppm2      7.599 CV     1
 ASSI {  197}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.86971E-03 ppm1      6.170 ppm2      3.815 CV     1
 ASSI {  198}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.37184E-02 ppm1      8.676 ppm2      4.222 CV     1
 ASSI {  199}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.31480E-02 ppm1      8.677 ppm2      1.002 CV     1
 ASSI {  200}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.21491E-02 ppm1      8.676 ppm2      7.828 CV     1
 ASSI {  201}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.23539E-02 ppm1      8.677 ppm2      1.871 CV     1
 ASSI {  202}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.400     1.400     1.400 peak   202 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      8.678 ppm2      3.693 CV     1
 ASSI {  203}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      4.300     2.300     1.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.37814E-03 ppm1      8.676 ppm2      0.650 CV     1
 ASSI {  204}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
      3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55776E-03 ppm1      8.675 ppm2      1.645 CV     1
 ASSI {  206}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB3 ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.66490E-02 ppm1      8.677 ppm2      4.036 CV     1
 OR {  206}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
 ASSI {  208}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      2.900     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.22689E-02 ppm1      8.674 ppm2      0.818 CV     1
 ASSI {  210}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 82   and name HE3 ))
      4.300     2.300     1.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.72161E-03 ppm1      6.887 ppm2      2.900 CV     1
 OR {  210}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 82   and name HE2 ))
 ASSI {  211}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 90   and name HB3 ))
      5.300     3.500     0.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.26218E-03 ppm1      6.167 ppm2      1.585 CV     1
 ASSI {  213}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      4.300     2.400     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.33087E-03 ppm1      8.681 ppm2      1.462 CV     1
 ASSI {  214}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 90   and name HB3 ))
      3.900     1.900     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      6.884 ppm2      1.593 CV     1
 ASSI {  215}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.62393E-03 ppm1      8.228 ppm2      4.616 CV     1
 ASSI {  216}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.100     1.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.20104E-02 ppm1      8.226 ppm2      4.297 CV     1
 ASSI {  218}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21365E-02 ppm1      8.229 ppm2      7.521 CV     1
 ASSI {  219}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.400     2.400     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.56406E-03 ppm1      8.226 ppm2      1.133 CV     1
 ASSI {  220}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.900     0.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.35293E-02 ppm1      8.228 ppm2      3.980 CV     1
 OR {  220}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  221}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.36554E-02 ppm1      8.228 ppm2      1.991 CV     1
 OR {  221}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.81618E-03 ppm1      8.230 ppm2      1.261 CV     1
 ASSI {  223}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.51049E-02 ppm1      8.229 ppm2      8.112 CV     1
 ASSI {  224}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.43171E-02 ppm1      8.228 ppm2      4.102 CV     1
 ASSI {  225}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      4.300     2.300     1.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.52625E-03 ppm1      8.228 ppm2      2.335 CV     1
 ASSI {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      3.000     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15378E-02 ppm1      8.228 ppm2      1.012 CV     1
 ASSI {  227}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.40966E-03 ppm1      8.231 ppm2      4.487 CV     1
 ASSI {  228}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      4.300     2.300     1.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.34033E-03 ppm1      8.227 ppm2      0.628 CV     1
 ASSI {  229}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.44432E-03 ppm1      8.227 ppm2      8.726 CV     1
 ASSI {  230}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      7.819 ppm2      3.557 CV     1
 ASSI {  231}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.26218E-02 ppm1      7.820 ppm2      2.881 CV     1
 ASSI {  232}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      3.300     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.21933E-02 ppm1      7.820 ppm2      3.995 CV     1
 ASSI {  233}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.12132E-02 ppm1      7.821 ppm2     -0.005 CV     1
 ASSI {  234}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.800     1.000     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.41911E-02 ppm1      7.820 ppm2      2.998 CV     1
 ASSI {  235}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.22342E-02 ppm1      7.820 ppm2      1.242 CV     1
 ASSI {  236}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.20892E-02 ppm1      7.821 ppm2      4.478 CV     1
 ASSI {  237}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.700     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      7.818 ppm2      1.588 CV     1
 ASSI {  238}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.22058E-02 ppm1      7.820 ppm2      8.609 CV     1
 ASSI {  239}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.300     1.400     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.24705E-02 ppm1      7.178 ppm2      1.566 CV     1
 ASSI {  240}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      7.175 ppm2      2.035 CV     1
 ASSI {  241}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.300     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.60187E-03 ppm1      7.178 ppm2      8.522 CV     1
 ASSI {  242}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.400     2.500     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.63654E-03 ppm1      7.175 ppm2      3.171 CV     1
 ASSI {  243}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.29967E-02 ppm1      7.177 ppm2      2.631 CV     1
 ASSI {  244}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.400     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      7.176 ppm2     -0.517 CV     1
 ASSI {  245}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.200     1.200     1.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.20010E-02 ppm1      7.175 ppm2      1.292 CV     1
 ASSI {  247}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
      3.500     1.500     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      7.178 ppm2      2.274 CV     1
 ASSI {  249}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.24768E-02 ppm1      7.175 ppm2      4.547 CV     1
 ASSI {  250}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15378E-02 ppm1      7.176 ppm2      4.094 CV     1
 ASSI {  251}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      3.200     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.33087E-02 ppm1      7.817 ppm2      0.618 CV     1
 ASSI {  252}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     2.600     3.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.19758E-02 ppm1      7.176 ppm2      7.635 CV     1
 ASSI {  253}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD21))
      3.100     1.200     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.14590E-02 ppm1      7.823 ppm2      7.166 CV     1
 ASSI {  254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.900     1.900     1.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.31417E-03 ppm1      7.826 ppm2      3.860 CV     1
 ASSI {  256}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.30220E-02 ppm1      9.759 ppm2      4.187 CV     1
 ASSI {  257}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.900     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1      9.760 ppm2      2.548 CV     1
 ASSI {  260}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      3.300     1.300     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      9.760 ppm2      2.415 CV     1
 OR {  260}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  261}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.21743E-02 ppm1      9.758 ppm2      7.564 CV     1
 ASSI {  262}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HD2 ))
      3.000     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.10651E-02 ppm1      9.759 ppm2      3.917 CV     1
 ASSI {  265}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.800     1.800     1.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      9.172 ppm2      2.038 CV     1
 OR {  265}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI {  266}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.18686E-02 ppm1      9.177 ppm2      4.200 CV     1
 ASSI {  267}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      3.000     1.200     1.200 peak   267 spectrum    1 weight  0.10000E+01 volume  0.12006E-02 ppm1      9.178 ppm2      4.027 CV     1
 ASSI {  269}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA2 ))
      3.600     1.600     1.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.11470E-02 ppm1      9.174 ppm2      3.871 CV     1
 ASSI {  272}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.91700E-03 ppm1      7.883 ppm2      8.542 CV     1
 ASSI {  274}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak   274 spectrum    1 weight  0.10000E+01 volume  0.12132E-02 ppm1      7.882 ppm2      3.692 CV     1
 ASSI {  275}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.900     1.900     1.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.73424E-03 ppm1      7.885 ppm2      7.280 CV     1
 ASSI {  276}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.25178E-02 ppm1      7.882 ppm2      3.813 CV     1
 ASSI {  278}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
      2.900     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.16355E-02 ppm1      7.881 ppm2      1.353 CV     1
 ASSI {  279}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      7.882 ppm2      1.494 CV     1
 ASSI {  280}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.62709E-02 ppm1      7.882 ppm2      1.868 CV     1
 ASSI {  283}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      7.882 ppm2      4.069 CV     1
 ASSI {  284}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.85084E-03 ppm1      7.882 ppm2      2.138 CV     1
 ASSI {  285}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.200     2.200     1.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.48528E-03 ppm1      7.881 ppm2      0.674 CV     1
 OR {  285}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
 ASSI {  286}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.400     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.55776E-02 ppm1      8.438 ppm2      3.241 CV     1
 ASSI {  287}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      2.900     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.20924E-02 ppm1      8.438 ppm2      2.816 CV     1
 ASSI {  288}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.23319E-02 ppm1      8.439 ppm2      4.553 CV     1
 ASSI {  291}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.500     3.500     2.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.92647E-03 ppm1      7.508 ppm2      1.499 CV     1
 ASSI {  292}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 71   and name HE22))
      3.400     3.400     2.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.28171E-02 ppm1      8.442 ppm2      7.490 CV     1
 ASSI {  294}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.42541E-03 ppm1      7.499 ppm2      4.470 CV     1
 ASSI {  295}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      7.507 ppm2      4.191 CV     1
 ASSI {  296}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.86655E-03 ppm1      7.507 ppm2      4.368 CV     1
 ASSI {  297}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      4.400     2.400     1.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.64914E-03 ppm1      7.503 ppm2      1.891 CV     1
 ASSI {  300}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.98947E-03 ppm1      7.501 ppm2      8.822 CV     1
 ASSI {  302}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.800     2.800     3.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      7.826 ppm2      2.204 CV     1
 ASSI {  304}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      6.000     6.000     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.42226E-05 ppm1      8.447 ppm2      2.036 CV     1
 OR {  304}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  305}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     6.000     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.12920E-05 ppm1      7.830 ppm2      1.680 CV     1
 ASSI {  306}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      4.000     2.000     2.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.35924E-03 ppm1      7.831 ppm2      2.590 CV     1
 OR {  306}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  308}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.49158E-03 ppm1      7.834 ppm2      2.332 CV     1
 OR {  308}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {  309}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.48213E-03 ppm1      7.832 ppm2      4.091 CV     1
 ASSI {  310}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG3 ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.14117E-02 ppm1      8.441 ppm2      0.520 CV     1
 ASSI {  311}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.54515E-03 ppm1      7.946 ppm2      6.764 CV     1
 ASSI {  313}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.400     1.400     1.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.16575E-02 ppm1      8.446 ppm2      1.779 CV     1
 ASSI {  314}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HE2 ))
      3.400     1.500     1.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.24075E-02 ppm1      8.446 ppm2      2.638 CV     1
 ASSI {  315}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      3.200     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.20136E-02 ppm1      8.447 ppm2      1.436 CV     1
 ASSI {  317}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.26060E-02 ppm1      8.444 ppm2      9.154 CV     1
 ASSI {  318}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.800     2.900     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.28801E-03 ppm1      7.945 ppm2      4.762 CV     1
 ASSI {  319}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.000     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.23098E-02 ppm1      7.955 ppm2      0.967 CV     1
 OR {  319}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  320}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.81302E-03 ppm1      7.953 ppm2      4.197 CV     1
 ASSI {  321}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.57352E-03 ppm1      7.957 ppm2      2.756 CV     1
 ASSI {  322}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.15410E-02 ppm1      7.954 ppm2      4.464 CV     1
 ASSI {  324}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB3 ))
      2.900     1.100     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      8.446 ppm2      1.705 CV     1
 ASSI {  329}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.52940E-03 ppm1      7.844 ppm2      4.320 CV     1
 ASSI {  330}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.800     1.800     1.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      8.442 ppm2      4.239 CV     1
 ASSI {  331}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      7.956 ppm2      1.344 CV     1
 ASSI {  333}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      8.447 ppm2      4.011 CV     1
 ASSI {  334}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.43486E-02 ppm1      7.954 ppm2      7.720 CV     1
 ASSI {  335}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HD3 ))
      3.500     1.500     1.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.66805E-03 ppm1      7.952 ppm2      3.046 CV     1
 ASSI {  336}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83190E-02 ppm1      7.952 ppm2      8.196 CV     1
 ASSI {  337}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.000     2.000     2.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.57667E-03 ppm1      7.963 ppm2      2.494 CV     1
 ASSI {  339}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.500     1.500     1.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.18498E-02 ppm1      7.718 ppm2      2.367 CV     1
 ASSI {  340}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.200     1.300     1.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.12983E-02 ppm1      7.718 ppm2      2.506 CV     1
 ASSI {  341}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.88865E-03 ppm1      7.719 ppm2      3.778 CV     1
 ASSI {  342}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.61763E-02 ppm1      7.719 ppm2      2.113 CV     1
 OR {  342}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  345}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.27793E-02 ppm1      7.719 ppm2      4.201 CV     1
 ASSI {  346}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.29589E-02 ppm1      7.719 ppm2      8.295 CV     1
 ASSI {  347}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.800     1.000     1.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.25839E-02 ppm1      9.317 ppm2      4.010 CV     1
 OR {  347}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  348}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      5.000     3.200     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.22248E-03 ppm1      7.713 ppm2      4.320 CV     1
 ASSI {  350}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.200     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      9.317 ppm2      4.161 CV     1
 ASSI {  351}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      4.600     2.600     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.28329E-03 ppm1      7.731 ppm2      1.294 CV     1
 OR {  351}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {  352}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.900     1.900     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.52310E-03 ppm1      9.321 ppm2      1.182 CV     1
 ASSI {  354}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.800     1.800     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      9.317 ppm2      1.301 CV     1
 ASSI {  355}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
      3.900     1.900     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.11975E-02 ppm1      9.319 ppm2      2.704 CV     1
 OR {  355}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  356}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.74680E-03 ppm1      9.323 ppm2      1.473 CV     1
 ASSI {  357}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.13708E-02 ppm1      8.361 ppm2      8.800 CV     1
 ASSI {  360}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HG  ))
      6.000     6.000     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.10178E-04 ppm1      8.356 ppm2      1.917 CV     1
 ASSI {  364}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.700     3.700     2.300 peak   364 spectrum    1 weight  0.10000E+01 volume  0.13203E-02 ppm1      8.551 ppm2      1.811 CV     1
 ASSI {  365}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.71214E-03 ppm1      8.092 ppm2      1.625 CV     1
 ASSI {  366}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      3.000     3.000     3.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.85399E-03 ppm1      8.551 ppm2      2.296 CV     1
 OR {  366}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  367}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 81   and name HD2 ))
      4.800     2.900     1.200 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20073E-03 ppm1      8.535 ppm2      1.682 CV     1
 OR {  367}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI {  370}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.33087E-02 ppm1      8.372 ppm2      1.829 CV     1
 ASSI {  371}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.64284E-03 ppm1      8.091 ppm2      4.425 CV     1
 ASSI {  373}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      2.100     0.500     0.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.10997E-01 ppm1      8.358 ppm2      1.272 CV     1
 ASSI {  374}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.21523E-02 ppm1      8.094 ppm2      8.550 CV     1
 ASSI {  375}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.500     0.800     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.22594E-02 ppm1      8.093 ppm2      3.712 CV     1
 ASSI {  377}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.44747E-02 ppm1      8.093 ppm2      2.082 CV     1
 ASSI {  379}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      8.093 ppm2      3.479 CV     1
 ASSI {  380}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      4.100     2.100     1.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.27226E-03 ppm1      8.091 ppm2      1.092 CV     1
 OR {  380}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  382}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.67120E-02 ppm1      8.484 ppm2      1.290 CV     1
 ASSI {  383}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.600     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      8.555 ppm2      1.224 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD3 ))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      9.012 ppm2      3.029 CV     1
 ASSI {  386}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.33718E-02 ppm1      8.547 ppm2      2.125 CV     1
 ASSI {  388}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.900     1.900     1.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.57667E-03 ppm1      8.546 ppm2      0.810 CV     1
 ASSI {  389}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.24737E-02 ppm1      9.016 ppm2      4.331 CV     1
 ASSI {  391}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG3 ))
      3.400     1.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.25493E-02 ppm1      9.015 ppm2      2.205 CV     1
 OR {  391}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.400     0.700     0.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      9.016 ppm2      2.328 CV     1
 ASSI {  393}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.000     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.99262E-03 ppm1      9.015 ppm2      3.408 CV     1
 ASSI {  394}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.57982E-03 ppm1      9.016 ppm2      3.983 CV     1
 ASSI {  395}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.30503E-02 ppm1      9.015 ppm2      8.109 CV     1
 ASSI {  396}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      3.700     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      8.548 ppm2      0.999 CV     1
 ASSI {  397}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
      4.100     2.100     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.89805E-03 ppm1      8.545 ppm2      1.489 CV     1
 ASSI {  398}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.25493E-02 ppm1      8.546 ppm2      3.857 CV     1
 ASSI {  399}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.29999E-02 ppm1      8.546 ppm2      7.755 CV     1
 ASSI {  400}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.61448E-02 ppm1      8.546 ppm2      4.275 CV     1
 ASSI {  401}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      4.500     2.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.75311E-03 ppm1      9.014 ppm2      1.063 CV     1
 ASSI {  402}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.76890E-03 ppm1      9.018 ppm2      4.770 CV     1
 ASSI {  403}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.26344E-02 ppm1      8.545 ppm2      9.083 CV     1
 ASSI {  405}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.000     2.000     2.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.85399E-03 ppm1      8.473 ppm2      0.581 CV     1
 ASSI {  406}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.26470E-02 ppm1      8.484 ppm2      4.101 CV     1
 ASSI {  407}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      8.477 ppm2      7.828 CV     1
 ASSI {  408}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.900     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26092E-04 ppm1      8.083 ppm2      7.567 CV     1
 ASSI {  409}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      4.200     2.200     1.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.69327E-03 ppm1      8.477 ppm2      0.764 CV     1
 ASSI {  410}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.32772E-02 ppm1      8.551 ppm2      3.712 CV     1
 ASSI {  411}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      5.400     3.600     0.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13676E-03 ppm1      8.459 ppm2      1.467 CV     1
 ASSI {  412}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.41596E-03 ppm1      8.477 ppm2      3.564 CV     1
 ASSI {  413}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      2.000     0.500     0.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.11533E-01 ppm1      8.466 ppm2      1.913 CV     1
 ASSI {  414}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.100     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.11155E-01 ppm1      8.473 ppm2      1.588 CV     1
 ASSI {  415}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.400     0.700     0.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.32457E-02 ppm1      7.557 ppm2      2.551 CV     1
 ASSI {  418}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      3.900     1.900     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.56091E-03 ppm1      7.563 ppm2      2.418 CV     1
 OR {  418}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  419}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.900     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.35609E-02 ppm1      8.070 ppm2      1.928 CV     1
 OR {  419}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  420}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.25461E-02 ppm1      8.073 ppm2      7.623 CV     1
 ASSI {  421}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.10178E-02 ppm1      7.562 ppm2      3.733 CV     1
 ASSI {  422}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.400     1.500     1.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.17016E-02 ppm1      7.562 ppm2      2.983 CV     1
 OR {  422}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  424}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.300     1.400     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.13424E-02 ppm1      7.564 ppm2      1.096 CV     1
 OR {  424}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  425}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.19916E-02 ppm1      8.072 ppm2      3.361 CV     1
 OR {  425}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  426}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.84768E-03 ppm1      7.566 ppm2      4.764 CV     1
 ASSI {  427}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.53570E-02 ppm1      7.561 ppm2      8.551 CV     1
 ASSI {  428}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.36869E-02 ppm1      7.563 ppm2      2.278 CV     1
 ASSI {  429}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.15693E-02 ppm1      7.563 ppm2      4.425 CV     1
 ASSI {  434}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      7.524 ppm2      1.002 CV     1
 ASSI {  435}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.200     3.400     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.14401E-03 ppm1      7.524 ppm2      4.002 CV     1
 OR {  435}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  438}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
      2.400     0.700     0.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.57036E-02 ppm1      8.070 ppm2      1.706 CV     1
 OR {  438}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD3 ))
 ASSI {  439}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.700     2.700     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.35609E-03 ppm1      8.075 ppm2      1.228 CV     1
 ASSI {  440}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.500     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20041E-02 ppm1      7.520 ppm2      1.601 CV     1
 ASSI {  442}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak   442 spectrum    1 weight  0.10000E+01 volume  0.16922E-02 ppm1      7.520 ppm2      3.794 CV     1
 OR {  442}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  443}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     2.400     3.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.94218E-02 ppm1      7.555 ppm2      4.201 CV     1
 ASSI {  444}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.11187E-02 ppm1      7.521 ppm2      4.625 CV     1
 ASSI {  445}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.900     1.900     1.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      7.522 ppm2      1.259 CV     1
 ASSI {  446}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.48213E-03 ppm1      8.304 ppm2      0.956 CV     1
 ASSI {  447}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.29589E-02 ppm1      8.305 ppm2      1.534 CV     1
 ASSI {  449}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.300     1.400     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.27447E-02 ppm1      8.302 ppm2      1.719 CV     1
 OR {  449}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  450}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.28361E-02 ppm1      8.304 ppm2      3.986 CV     1
 ASSI {  451}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.200     0.600     0.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.78777E-02 ppm1      8.302 ppm2      1.926 CV     1
 OR {  451}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  454}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.63339E-03 ppm1      8.301 ppm2      0.847 CV     1
 OR {  454}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  455}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.900     1.900     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.70583E-03 ppm1      8.306 ppm2      1.406 CV     1
 OR {  455}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  457}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.500     2.500     1.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.57982E-03 ppm1      7.518 ppm2      1.127 CV     1
 ASSI {  458}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HG13))
      5.500     3.800     0.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.85399E-04 ppm1      8.074 ppm2      0.751 CV     1
 ASSI {  461}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG  ))
      2.900     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      7.840 ppm2      1.881 CV     1
 ASSI {  462}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      5.800     4.200     0.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.22373E-04 ppm1      7.838 ppm2      1.675 CV     1
 ASSI {  463}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      7.838 ppm2      1.464 CV     1
 ASSI {  464}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.99262E-03 ppm1      7.839 ppm2      3.994 CV     1
 ASSI {  465}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.16922E-01 ppm1      7.839 ppm2      2.165 CV     1
 ASSI {  466}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     5.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.10714E-04 ppm1      7.514 ppm2      1.972 CV     1
 OR {  466}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  467}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.86024E-03 ppm1      7.885 ppm2      4.000 CV     1
 ASSI {  468}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.23161E-02 ppm1      7.880 ppm2      8.305 CV     1
 ASSI {  469}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      7.889 ppm2      3.302 CV     1
 ASSI {  470}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.20797E-02 ppm1      7.888 ppm2      4.208 CV     1
 ASSI {  473}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.69327E-02 ppm1      7.888 ppm2      1.735 CV     1
 ASSI {  474}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.200     1.300     1.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.23823E-02 ppm1      7.887 ppm2      0.889 CV     1
 ASSI {  475}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.21333E-02 ppm1      7.888 ppm2      8.800 CV     1
 ASSI {  477}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.800     2.900     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.36239E-03 ppm1      8.605 ppm2      2.994 CV     1
 ASSI {  478}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.100     1.200     1.200 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      8.608 ppm2      0.542 CV     1
 ASSI {  479}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.800     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      8.609 ppm2      1.993 CV     1
 ASSI {  480}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      8.609 ppm2      0.638 CV     1
 ASSI {  481}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      8.609 ppm2      3.560 CV     1
 ASSI {  482}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19191E-02 ppm1      8.608 ppm2      2.467 CV     1
 ASSI {  483}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.700     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.15125E-02 ppm1      8.609 ppm2      1.603 CV     1
 ASSI {  484}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.11785E-02 ppm1      8.607 ppm2     -0.003 CV     1
 ASSI {  485}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
      3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.34033E-02 ppm1      8.608 ppm2      1.855 CV     1
 ASSI {  486}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     3.300     2.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.48528E-03 ppm1      8.609 ppm2      4.623 CV     1
 ASSI {  488}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.400     1.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.24138E-03 ppm1      7.769 ppm2      8.429 CV     1
 ASSI {  490}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.100     1.200     1.200 peak   490 spectrum    1 weight  0.10000E+01 volume  0.33402E-02 ppm1      8.609 ppm2      1.246 CV     1
 ASSI {  491}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      3.300     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.20357E-02 ppm1      8.609 ppm2      4.001 CV     1
 ASSI {  492}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      3.800     3.800     2.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.22846E-03 ppm1      7.771 ppm2      2.888 CV     1
 ASSI {  493}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      5.100     3.300     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17835E-03 ppm1      8.611 ppm2      4.491 CV     1
 ASSI {  494}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.700     1.700     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.63339E-03 ppm1      7.778 ppm2      9.087 CV     1
 ASSI {  495}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.300     1.300     1.300 peak   495 spectrum    1 weight  0.10000E+01 volume  0.11628E-02 ppm1      7.779 ppm2      4.533 CV     1
 ASSI {  496}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.84452E-03 ppm1      7.778 ppm2      4.643 CV     1
 ASSI {  497}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.300     1.300     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.32457E-02 ppm1      7.780 ppm2      1.678 CV     1
 ASSI {  498}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.91700E-02 ppm1      7.777 ppm2      2.161 CV     1
 OR {  498}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
 ASSI {  499}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.12290E-02 ppm1      7.779 ppm2      4.284 CV     1
 ASSI {  500}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21775E-02 ppm1      7.778 ppm2      8.821 CV     1
 ASSI {  501}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      3.400     1.400     1.400 peak   501 spectrum    1 weight  0.10000E+01 volume  0.30472E-02 ppm1      7.775 ppm2      2.306 CV     1
 OR {  501}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {  503}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.24894E-02 ppm1      7.777 ppm2      4.101 CV     1
 ASSI {  504}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.31827E-03 ppm1      7.780 ppm2      8.616 CV     1
 ASSI {  505}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
      4.500     2.600     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.34348E-03 ppm1      7.777 ppm2      1.220 CV     1
 ASSI {  506}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      4.100     2.100     1.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.45377E-03 ppm1      7.777 ppm2      1.453 CV     1
 ASSI {  507}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      3.600     1.700     1.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      7.778 ppm2      0.906 CV     1
 ASSI {  508}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.300     2.400     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.27132E-03 ppm1      7.774 ppm2      3.365 CV     1
 ASSI {  509}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      3.400     1.400     1.400 peak   509 spectrum    1 weight  0.10000E+01 volume  0.23098E-02 ppm1      7.777 ppm2      1.572 CV     1
 ASSI {  510}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.400     2.400     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.29306E-03 ppm1      7.812 ppm2      8.480 CV     1
 ASSI {  511}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HE2 ))
      4.400     2.400     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.45692E-03 ppm1      7.027 ppm2      2.895 CV     1
 OR {  511}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HE3 ))
 ASSI {  512}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 85   and name HA1 ))
      4.400     2.400     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.83505E-03 ppm1      7.025 ppm2      4.045 CV     1
 ASSI {  513}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      3.600     1.600     1.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.80040E-03 ppm1      7.024 ppm2      1.302 CV     1
 ASSI {  514}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.300     1.400     1.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.12163E-02 ppm1      7.024 ppm2      1.991 CV     1
 ASSI {  515}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.75627E-03 ppm1      7.026 ppm2      3.810 CV     1
 ASSI {  516}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.800     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      7.025 ppm2      1.448 CV     1
 ASSI {  519}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.42541E-02 ppm1      7.024 ppm2      7.282 CV     1
 ASSI {  520}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
      2.500     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.38129E-02 ppm1      7.026 ppm2      1.583 CV     1
 ASSI {  521}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HE2 ))
      3.000     3.000     3.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      7.812 ppm2      2.653 CV     1
 ASSI {  523}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      2.500     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.39075E-02 ppm1      7.812 ppm2      1.519 CV     1
 ASSI {  524}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB3 ))
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.40335E-02 ppm1      7.813 ppm2      1.296 CV     1
 ASSI {  526}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.23602E-02 ppm1      7.812 ppm2      3.483 CV     1
 ASSI {  527}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.400     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.70583E-03 ppm1      7.816 ppm2      3.843 CV     1
 ASSI {  528}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG3 ))
      3.600     1.600     1.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.99578E-03 ppm1      7.809 ppm2      1.044 CV     1
 ASSI {  529}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.100     1.200     1.200 peak   529 spectrum    1 weight  0.10000E+01 volume  0.16291E-02 ppm1      7.813 ppm2      7.677 CV     1
 ASSI {  531}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.100     2.100     1.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.46638E-03 ppm1      7.809 ppm2      4.345 CV     1
 ASSI {  532}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.300     2.300     1.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.65229E-03 ppm1      7.024 ppm2      8.756 CV     1
 ASSI {  533}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.600     1.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.10115E-02 ppm1      8.196 ppm2      4.456 CV     1
 ASSI {  534}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     1.200     1.200 peak   534 spectrum    1 weight  0.10000E+01 volume  0.23508E-02 ppm1      8.196 ppm2      0.985 CV     1
 ASSI {  535}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.500     1.600     1.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.14086E-02 ppm1      8.193 ppm2      1.956 CV     1
 OR {  535}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  535}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  536}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.37499E-03 ppm1      8.193 ppm2      6.974 CV     1
 ASSI {  538}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HD3 ))
      3.300     1.400     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.93903E-03 ppm1      8.192 ppm2      3.029 CV     1
 ASSI {  539}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.14054E-02 ppm1      8.192 ppm2      4.780 CV     1
 ASSI {  540}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.800     1.800     1.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10777E-02 ppm1      8.197 ppm2      3.399 CV     1
 ASSI {  541}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.400     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19411E-02 ppm1      8.194 ppm2      1.320 CV     1
 ASSI {  543}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak   543 spectrum    1 weight  0.10000E+01 volume  0.69327E-03 ppm1      8.192 ppm2      2.755 CV     1
 ASSI {  545}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak   545 spectrum    1 weight  0.10000E+01 volume  0.11187E-02 ppm1      8.195 ppm2      3.208 CV     1
 ASSI {  546}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak   546 spectrum    1 weight  0.10000E+01 volume  0.15788E-02 ppm1      8.191 ppm2      7.726 CV     1
 ASSI {  548}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.000     3.000     3.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.28518E-02 ppm1      7.825 ppm2      7.932 CV     1
 ASSI {  549}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.53570E-03 ppm1      7.693 ppm2      4.224 CV     1
 ASSI {  552}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.12037E-02 ppm1      7.695 ppm2      4.442 CV     1
 ASSI {  554}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.600     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.11470E-02 ppm1      7.691 ppm2      1.917 CV     1
 OR {  554}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  555}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HB% )
      2.300     0.700     0.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.79408E-02 ppm1      7.694 ppm2      1.403 CV     1
 ASSI {  556}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.500     1.600     1.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.16418E-02 ppm1      7.697 ppm2      0.901 CV     1
 OR {  556}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  557}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.34978E-02 ppm1      7.694 ppm2      1.527 CV     1
 ASSI {  558}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.15189E-02 ppm1      7.696 ppm2      3.300 CV     1
 ASSI {  559}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      5.200     3.400     0.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.17867E-03 ppm1      8.034 ppm2      0.842 CV     1
 OR {  559}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  560}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.61133E-02 ppm1      7.694 ppm2      7.829 CV     1
 ASSI {  562}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
      2.800     1.000     1.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.26942E-02 ppm1      7.829 ppm2      1.672 CV     1
 ASSI {  564}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.100     1.200     1.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      7.694 ppm2      0.620 CV     1
 ASSI {  565}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.300     0.700     0.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.74680E-02 ppm1      7.826 ppm2      2.035 CV     1
 OR {  565}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {  569}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.29527E-02 ppm1      7.696 ppm2      8.304 CV     1
 ASSI {  571}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.25304E-02 ppm1      7.827 ppm2      8.565 CV     1
 ASSI {  572}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      4.000     2.000     2.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.54830E-03 ppm1      7.827 ppm2      9.143 CV     1
 ASSI {  574}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      3.400     3.400     2.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      7.705 ppm2      2.893 CV     1
 ASSI {  575}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      3.600     1.600     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.68696E-03 ppm1      9.083 ppm2      7.115 CV     1
 ASSI {  578}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.600     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.22436E-02 ppm1      9.084 ppm2      0.812 CV     1
 ASSI {  579}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.69327E-03 ppm1      9.085 ppm2      4.438 CV     1
 ASSI {  581}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.900     1.900     1.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      9.083 ppm2      3.302 CV     1
 ASSI {  582}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.800     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      9.083 ppm2      3.173 CV     1
 ASSI {  583}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.18498E-02 ppm1      9.083 ppm2      1.258 CV     1
 ASSI {  584}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.700     0.900     0.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.64599E-02 ppm1      9.084 ppm2      2.107 CV     1
 ASSI {  585}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      3.500     1.600     1.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      9.083 ppm2      1.013 CV     1
 ASSI {  586}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.12195E-02 ppm1      9.083 ppm2      4.108 CV     1
 ASSI {  588}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.900     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.28613E-02 ppm1      8.031 ppm2      8.301 CV     1
 ASSI {  590}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.600     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.67120E-03 ppm1      8.033 ppm2      0.550 CV     1
 ASSI {  592}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.76890E-03 ppm1      8.034 ppm2      3.743 CV     1
 ASSI {  594}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      9.086 ppm2      3.703 CV     1
 ASSI {  595}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.10000E+01 volume  0.34978E-02 ppm1      8.033 ppm2      1.541 CV     1
 ASSI {  596}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.30818E-02 ppm1      8.032 ppm2      1.989 CV     1
 ASSI {  597}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.49158E-02 ppm1      8.033 ppm2      1.725 CV     1
 ASSI {  598}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.000     1.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.36554E-02 ppm1      8.032 ppm2      0.947 CV     1
 ASSI {  599}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HD3 ))
      2.600     2.600     3.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      8.798 ppm2      3.153 CV     1
 ASSI {  600}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG13))
      4.500     2.500     1.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.39390E-03 ppm1      8.032 ppm2      1.115 CV     1
 ASSI {  602}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.900     1.900     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      7.705 ppm2      2.304 CV     1
 ASSI {  603}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.400     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.23886E-02 ppm1      7.710 ppm2      1.609 CV     1
 ASSI {  604}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.400     1.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.10273E-02 ppm1      7.712 ppm2      4.561 CV     1
 ASSI {  605}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   605 spectrum    1 weight  0.10000E+01 volume  0.69643E-03 ppm1      8.800 ppm2      4.209 CV     1
 ASSI {  606}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.400     1.500     1.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.11250E-02 ppm1      8.800 ppm2      0.889 CV     1
 ASSI {  607}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.100     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.11912E-02 ppm1      8.801 ppm2      1.528 CV     1
 ASSI {  608}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HG3 ))
      2.700     0.900     0.900 peak   608 spectrum    1 weight  0.10000E+01 volume  0.24989E-02 ppm1      7.711 ppm2      2.487 CV     1
 ASSI {  609}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.21648E-02 ppm1      8.801 ppm2      3.742 CV     1
 ASSI {  610}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.42226E-03 ppm1      8.798 ppm2      3.307 CV     1
 ASSI {  611}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HG2 ))
      2.700     2.700     3.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.73424E-02 ppm1      7.710 ppm2      2.660 CV     1
 ASSI {  612}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.300     0.700     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.80987E-02 ppm1      8.801 ppm2      1.772 CV     1
 OR {  612}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  614}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      7.709 ppm2      8.447 CV     1
 ASSI {  615}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.26124E-02 ppm1      7.710 ppm2      8.695 CV     1
 ASSI {  617}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.23067E-02 ppm1      8.801 ppm2      7.983 CV     1
 ASSI {  618}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.29117E-03 ppm1      8.802 ppm2      0.758 CV     1
 ASSI {  619}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   619 spectrum    1 weight  0.10000E+01 volume  0.17647E-02 ppm1      8.803 ppm2      3.918 CV     1
 ASSI {  621}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.200     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      8.802 ppm2      1.293 CV     1
 ASSI {  622}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.400     2.500     1.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.19789E-03 ppm1      7.711 ppm2      4.164 CV     1
 ASSI {  623}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.56091E-03 ppm1      8.133 ppm2      4.006 CV     1
 ASSI {  624}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.800     1.800     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.60818E-03 ppm1      8.128 ppm2      2.946 CV     1
 ASSI {  625}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.10273E-02 ppm1      8.203 ppm2      0.855 CV     1
 OR {  625}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  626}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak   626 spectrum    1 weight  0.10000E+01 volume  0.79724E-03 ppm1      7.282 ppm2      3.816 CV     1
 ASSI {  627}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.900     1.000     1.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.25020E-02 ppm1      8.133 ppm2      3.122 CV     1
 ASSI {  628}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      7.282 ppm2      4.965 CV     1
 ASSI {  629}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.800     1.800     1.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.97368E-03 ppm1      7.284 ppm2      1.193 CV     1
 ASSI {  631}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   631 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      7.284 ppm2      4.070 CV     1
 ASSI {  632}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
      2.500     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.54515E-02 ppm1      7.283 ppm2      1.535 CV     1
 ASSI {  637}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.700     2.700     3.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.23697E-02 ppm1      7.284 ppm2      1.989 CV     1
 ASSI {  638}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      5.000     3.200     1.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.40966E-03 ppm1      7.281 ppm2      1.318 CV     1
 ASSI {  639}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.500     1.500     1.500 peak   639 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      7.586 ppm2      4.236 CV     1
 ASSI {  640}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.35293E-02 ppm1      7.584 ppm2      7.839 CV     1
 ASSI {  641}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.21775E-02 ppm1      7.584 ppm2      3.734 CV     1
 ASSI {  642}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.49788E-02 ppm1      7.584 ppm2      2.355 CV     1
 ASSI {  643}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.300     1.300 peak   643 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      8.185 ppm2      3.188 CV     1
 ASSI {  644}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      2.900     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.29432E-02 ppm1      7.584 ppm2      1.018 CV     1
 ASSI {  645}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.52940E-02 ppm1      7.585 ppm2      1.266 CV     1
 ASSI {  646}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      7.586 ppm2      8.431 CV     1
 ASSI {  647}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 92   and name HB% )
      2.800     1.000     1.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.27258E-02 ppm1      7.584 ppm2      1.631 CV     1
 ASSI {  649}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak   649 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      7.585 ppm2      3.925 CV     1
 ASSI {  651}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.700     1.700     1.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.10651E-02 ppm1      7.842 ppm2      0.699 CV     1
 ASSI {  653}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.400     3.400     2.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      7.585 ppm2      4.544 CV     1
 ASSI {  654}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.600     1.600     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.97684E-03 ppm1      8.189 ppm2     -0.530 CV     1
 ASSI {  655}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.200     1.300     1.300 peak   655 spectrum    1 weight  0.10000E+01 volume  0.12888E-02 ppm1      7.839 ppm2      4.551 CV     1
 ASSI {  656}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     2.200     1.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.47268E-03 ppm1      7.839 ppm2      1.127 CV     1
 ASSI {  657}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.28171E-02 ppm1      7.839 ppm2      8.694 CV     1
 ASSI {  658}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.22184E-02 ppm1      8.303 ppm2      7.826 CV     1
 ASSI {  659}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      4.500     2.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.48213E-03 ppm1      8.184 ppm2      0.544 CV     1
 ASSI {  660}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.20357E-02 ppm1      8.304 ppm2      2.754 CV     1
 ASSI {  661}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.800     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.30913E-02 ppm1      7.839 ppm2      4.238 CV     1
 ASSI {  662}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak   662 spectrum    1 weight  0.10000E+01 volume  0.10367E-02 ppm1      8.303 ppm2      4.525 CV     1
 ASSI {  663}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.300     0.700     0.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      8.306 ppm2      1.269 CV     1
 ASSI {  664}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      8.185 ppm2      4.217 CV     1
 ASSI {  665}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 92   and name HB% )
      2.300     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.80987E-02 ppm1      7.839 ppm2      1.632 CV     1
 ASSI {  666}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HB% )
      2.400     0.700     0.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.63024E-02 ppm1      8.187 ppm2      1.452 CV     1
 ASSI {  667}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG  ))
      3.600     1.600     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.33718E-03 ppm1      8.304 ppm2      1.880 CV     1
 ASSI {  669}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      4.400     2.400     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.65544E-03 ppm1      7.844 ppm2      2.353 CV     1
 ASSI {  671}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      2.700     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.28203E-02 ppm1      8.188 ppm2      1.201 CV     1
 ASSI {  674}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      2.700     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.35293E-02 ppm1      7.840 ppm2      1.466 CV     1
 ASSI {  676}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.000     2.000     2.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.66490E-03 ppm1      8.303 ppm2      0.332 CV     1
 ASSI {  677}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.21680E-02 ppm1      8.187 ppm2      7.617 CV     1
 ASSI {  679}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   679 spectrum    1 weight  0.10000E+01 volume  0.51680E-02 ppm1      8.306 ppm2      1.521 CV     1
 ASSI {  680}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.83821E-03 ppm1      8.013 ppm2      7.841 CV     1
 ASSI {  683}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.93278E-03 ppm1      7.839 ppm2      1.269 CV     1
 ASSI {  684}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
      3.400     1.500     1.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.23035E-02 ppm1      8.312 ppm2      0.889 CV     1
 ASSI {  685}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.700     2.800     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.11597E-03 ppm1      7.840 ppm2      3.863 CV     1
 ASSI {  686}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     1.700     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.55145E-03 ppm1      8.008 ppm2      4.520 CV     1
 ASSI {  687}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      8.009 ppm2      2.747 CV     1
 OR {  687}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  688}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG13))
      5.000     3.100     1.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.21491E-03 ppm1      8.183 ppm2      0.751 CV     1
 ASSI {  689}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.50734E-03 ppm1      8.011 ppm2      4.305 CV     1
 ASSI {  690}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      2.400     2.400     3.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.29464E-02 ppm1      8.183 ppm2      1.726 CV     1
 OR {  690}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  691}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      1.800     1.800     4.200 peak   691 spectrum    1 weight  0.10000E+01 volume  0.16197E-01 ppm1      7.855 ppm2      2.699 CV     1
 OR {  691}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
 ASSI {  692}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HD22))
      4.300     2.300     1.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.61133E-03 ppm1      8.399 ppm2      7.873 CV     1
 ASSI {  693}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      8.406 ppm2      3.391 CV     1
 ASSI {  694}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      8.405 ppm2      3.027 CV     1
 ASSI {  695}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.20797E-02 ppm1      8.403 ppm2      4.625 CV     1
 ASSI {  696}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.900     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.24958E-02 ppm1      8.405 ppm2      2.876 CV     1
 ASSI {  698}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.35293E-02 ppm1      8.404 ppm2      9.090 CV     1
 ASSI {  699}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HD21))
      3.600     1.700     1.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.84452E-03 ppm1      8.410 ppm2      7.049 CV     1
 ASSI {  700}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.69958E-03 ppm1      8.402 ppm2      8.826 CV     1
 ASSI {  701}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.67749E-03 ppm1      8.403 ppm2      2.257 CV     1
 ASSI {  703}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.300     2.300     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.20041E-03 ppm1      7.941 ppm2      2.633 CV     1
 ASSI {  704}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak   704 spectrum    1 weight  0.10000E+01 volume  0.14590E-02 ppm1      7.934 ppm2      3.136 CV     1
 ASSI {  705}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.32457E-02 ppm1      7.937 ppm2      6.917 CV     1
 ASSI {  706}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.300     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.18277E-02 ppm1      7.937 ppm2      2.420 CV     1
 ASSI {  707}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.10997E-02 ppm1      7.934 ppm2      8.439 CV     1
 ASSI {  708}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.19254E-02 ppm1      7.935 ppm2      7.176 CV     1
 ASSI {  709}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.300     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.58927E-02 ppm1      7.935 ppm2      4.549 CV     1
 ASSI {  710}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.100     1.200     1.200 peak   710 spectrum    1 weight  0.10000E+01 volume  0.16985E-02 ppm1      7.935 ppm2      1.306 CV     1
 ASSI {  711}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   711 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1      7.936 ppm2      4.395 CV     1
 ASSI {  715}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.37814E-02 ppm1      8.258 ppm2      3.965 CV     1
 OR {  715}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
 ASSI {  716}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.900     1.000     1.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.33718E-02 ppm1      8.257 ppm2      2.004 CV     1
 ASSI {  717}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.23319E-02 ppm1      8.258 ppm2      4.284 CV     1
 ASSI {  718}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.20577E-02 ppm1      8.258 ppm2      2.286 CV     1
 OR {  718}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI {  719}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak   719 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      8.258 ppm2      2.108 CV     1
 ASSI {  720}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   720 spectrum    1 weight  0.10000E+01 volume  0.19191E-02 ppm1      7.833 ppm2      3.327 CV     1
 ASSI {  721}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      4.100     2.100     1.900 peak   721 spectrum    1 weight  0.10000E+01 volume  0.41281E-03 ppm1      8.253 ppm2      1.576 CV     1
 OR {  721}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  722}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      8.134 ppm2      4.186 CV     1
 ASSI {  723}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.100     1.200     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      8.130 ppm2      1.897 CV     1
 ASSI {  724}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      4.300     2.300     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.82243E-03 ppm1      8.136 ppm2      1.520 CV     1
 ASSI {  725}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.100     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.14086E-02 ppm1      8.131 ppm2      0.898 CV     1
 ASSI {  726}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.200     0.600     0.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.89181E-02 ppm1      7.839 ppm2      1.906 CV     1
 OR {  726}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  727}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.600     0.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.84137E-02 ppm1      7.838 ppm2      4.001 CV     1
 ASSI {  728}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12920E-02 ppm1      7.839 ppm2      8.308 CV     1
 ASSI {  729}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
      3.200     1.300     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.83190E-03 ppm1      7.838 ppm2      1.269 CV     1
 ASSI {  730}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.000     2.000     2.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      7.839 ppm2      8.809 CV     1
 ASSI {  731}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HB% )
      2.500     0.800     0.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.60502E-02 ppm1      7.838 ppm2      1.406 CV     1
 ASSI {  732}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      3.000     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      8.125 ppm2      3.956 CV     1
 OR {  732}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
 ASSI {  735}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HE2 ))
      3.400     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.16228E-02 ppm1      7.846 ppm2      2.903 CV     1
 OR {  735}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HE3 ))
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      1.500     1.500     4.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.45062E-01 ppm1      7.839 ppm2      4.440 CV     1
 ASSI {  738}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.800     1.000     1.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.68696E-02 ppm1      7.838 ppm2      1.744 CV     1
 ASSI {  739}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      8.304 ppm2      3.979 CV     1
 ASSI {  741}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.900     1.000     1.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.23413E-02 ppm1      8.306 ppm2      2.882 CV     1
 ASSI {  742}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.400     1.400     1.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.20797E-02 ppm1      8.306 ppm2      0.899 CV     1
 OR {  742}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  743}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      8.304 ppm2      4.225 CV     1
 ASSI {  744}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.000     1.100     1.100 peak   744 spectrum    1 weight  0.10000E+01 volume  0.36239E-02 ppm1      8.305 ppm2      0.618 CV     1
 ASSI {  745}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.28739E-02 ppm1      8.306 ppm2      6.715 CV     1
 ASSI {  747}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.23445E-02 ppm1      8.305 ppm2      3.303 CV     1
 ASSI {  749}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.86971E-03 ppm1      8.306 ppm2      3.713 CV     1
 ASSI {  750}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.500     1.600     1.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.12510E-02 ppm1      8.306 ppm2      3.180 CV     1
 ASSI {  751}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.39390E-02 ppm1      8.306 ppm2      1.530 CV     1
 ASSI {  752}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.400     2.400     1.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.22751E-03 ppm1      8.307 ppm2      8.102 CV     1
 ASSI {  753}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.000     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.40335E-02 ppm1      8.567 ppm2      3.508 CV     1
 ASSI {  754}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HD% )
      3.200     1.300     1.300 peak   754 spectrum    1 weight  0.10000E+01 volume  0.67120E-03 ppm1      8.570 ppm2      7.338 CV     1
 ASSI {  756}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.30094E-02 ppm1      8.567 ppm2      2.035 CV     1
 OR {  756}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {  757}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.500     0.800     0.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      8.567 ppm2      3.392 CV     1
 ASSI {  758}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.000     1.100     1.100 peak   758 spectrum    1 weight  0.10000E+01 volume  0.19096E-02 ppm1      8.568 ppm2      9.153 CV     1
 ASSI {  759}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.900     2.900     3.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.26533E-02 ppm1      8.306 ppm2      4.441 CV     1
 ASSI {  761}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      3.800     1.800     1.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.57352E-03 ppm1      8.566 ppm2      0.639 CV     1
 ASSI {  763}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HD2 ))
      3.800     1.800     1.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      8.567 ppm2      1.753 CV     1
 OR {  763}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  764}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      8.566 ppm2      4.360 CV     1
 ASSI {  765}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.700     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.45377E-03 ppm1      8.568 ppm2      3.700 CV     1
 ASSI {  766}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.400     0.700     0.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.57667E-02 ppm1      7.931 ppm2      1.823 CV     1
 ASSI {  767}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG12))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.18435E-02 ppm1      7.929 ppm2      1.158 CV     1
 ASSI {  768}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      3.200     1.200     1.200 peak   768 spectrum    1 weight  0.10000E+01 volume  0.15283E-02 ppm1      7.929 ppm2      0.851 CV     1
 OR {  768}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  769}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.58297E-02 ppm1      7.930 ppm2      4.238 CV     1
 ASSI {  770}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.39705E-02 ppm1      7.930 ppm2      8.198 CV     1
 ASSI {  771}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.32142E-03 ppm1      8.694 ppm2      4.544 CV     1
 ASSI {  772}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HD3 ))
      3.700     1.700     1.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.75627E-03 ppm1      7.933 ppm2      1.603 CV     1
 ASSI {  773}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.40650E-02 ppm1      7.931 ppm2      4.086 CV     1
 ASSI {  774}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG13))
      2.700     0.900     0.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.29306E-02 ppm1      7.931 ppm2      1.426 CV     1
 ASSI {  776}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.15913E-02 ppm1      8.695 ppm2      0.673 CV     1
 ASSI {  779}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.600     0.900     0.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      8.695 ppm2      3.870 CV     1
 ASSI {  780}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
      3.100     1.200     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.10273E-02 ppm1      8.820 ppm2      1.214 CV     1
 ASSI {  781}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.19316E-02 ppm1      8.694 ppm2      4.172 CV     1
 ASSI {  782}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG2 ))
      3.500     1.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.26092E-02 ppm1      8.695 ppm2      2.623 CV     1
 ASSI {  783}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.100     1.200     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.21523E-02 ppm1      8.696 ppm2      1.605 CV     1
 ASSI {  784}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG3 ))
      4.300     2.300     1.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.65229E-03 ppm1      8.693 ppm2      2.496 CV     1
 ASSI {  785}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      2.300     0.700     0.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.59242E-02 ppm1      8.696 ppm2      1.465 CV     1
 ASSI {  786}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     3.100     2.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.71846E-03 ppm1      7.616 ppm2      7.897 CV     1
 ASSI {  788}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.16323E-02 ppm1      7.938 ppm2      3.502 CV     1
 ASSI {  789}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.95165E-03 ppm1      8.696 ppm2      1.181 CV     1
 ASSI {  790}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.400     1.500     1.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.24390E-02 ppm1      8.823 ppm2      2.741 CV     1
 ASSI {  791}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      8.820 ppm2      4.288 CV     1
 ASSI {  793}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      3.700     1.700     1.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.39705E-03 ppm1      8.695 ppm2      1.333 CV     1
 ASSI {  794}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      8.821 ppm2      9.090 CV     1
 ASSI {  795}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.800     1.800     1.800 peak   795 spectrum    1 weight  0.10000E+01 volume  0.92015E-03 ppm1      8.817 ppm2      1.663 CV     1
 ASSI {  797}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.300     1.300     1.300 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10052E-02 ppm1      8.822 ppm2      4.543 CV     1
 ASSI {  799}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.400     1.400     1.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.24075E-02 ppm1      8.820 ppm2      1.452 CV     1
 ASSI {  800}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.300     0.600     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.50734E-02 ppm1      8.822 ppm2      2.163 CV     1
 ASSI {  802}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.800     1.800     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.93278E-03 ppm1      8.694 ppm2      2.288 CV     1
 ASSI {  804}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak   804 spectrum    1 weight  0.10000E+01 volume  0.28550E-02 ppm1      8.309 ppm2      1.676 CV     1
 ASSI {  805}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.300     2.400     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.25083E-03 ppm1      8.697 ppm2      9.313 CV     1
 ASSI {  806}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      3.000     1.100     1.100 peak   806 spectrum    1 weight  0.10000E+01 volume  0.34978E-02 ppm1      7.889 ppm2      2.295 CV     1
 ASSI {  808}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      4.000     2.000     2.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.34033E-03 ppm1      7.891 ppm2      4.236 CV     1
 ASSI {  809}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.900     1.900     1.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      8.820 ppm2      1.997 CV     1
 ASSI {  810}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.400     2.400     3.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.57352E-02 ppm1      7.894 ppm2      4.350 CV     1
 ASSI {  811}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 99   and name HE2 ))
      2.900     2.900     3.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      7.890 ppm2      2.655 CV     1
 ASSI {  812}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      4.000     2.000     2.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.58927E-03 ppm1      8.819 ppm2      0.872 CV     1
 ASSI {  813}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.800     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.22941E-02 ppm1      7.619 ppm2      3.365 CV     1
 OR {  813}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.16796E-02 ppm1      8.814 ppm2      8.542 CV     1
 ASSI {  817}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      4.000     2.000     2.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      7.619 ppm2     -0.529 CV     1
 ASSI {  818}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12037E-02 ppm1      7.620 ppm2      3.202 CV     1
 ASSI {  820}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   820 spectrum    1 weight  0.10000E+01 volume  0.35293E-02 ppm1      7.621 ppm2      3.957 CV     1
 ASSI {  821}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      2.600     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      7.619 ppm2      1.200 CV     1
 ASSI {  823}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      3.600     1.600     1.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      7.620 ppm2      0.544 CV     1
 ASSI {  824}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      4.200     2.200     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.28518E-03 ppm1      8.093 ppm2      7.177 CV     1
 ASSI {  825}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG13))
      3.000     1.100     1.100 peak   825 spectrum    1 weight  0.10000E+01 volume  0.84768E-03 ppm1      7.619 ppm2      0.745 CV     1
 ASSI {  826}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      3.300     1.300     1.300 peak   826 spectrum    1 weight  0.10000E+01 volume  0.15125E-02 ppm1      8.093 ppm2      3.841 CV     1
 ASSI {  827}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.000     1.100     1.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.18718E-02 ppm1      8.093 ppm2      2.899 CV     1
 ASSI {  828}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.15913E-02 ppm1      8.094 ppm2      3.126 CV     1
 ASSI {  829}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.300     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.92015E-03 ppm1      8.090 ppm2      4.005 CV     1
 ASSI {  830}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      3.800     1.800     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10997E-02 ppm1      7.837 ppm2      1.904 CV     1
 ASSI {  831}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.800     1.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.54200E-03 ppm1      8.612 ppm2      4.187 CV     1
 ASSI {  832}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   832 spectrum    1 weight  0.10000E+01 volume  0.91068E-03 ppm1      8.612 ppm2      4.290 CV     1
 ASSI {  833}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.36554E-02 ppm1      8.612 ppm2      3.301 CV     1
 ASSI {  834}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.500     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.34663E-02 ppm1      8.613 ppm2      3.179 CV     1
 ASSI {  835}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      2.900     1.000     1.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.30755E-02 ppm1      8.612 ppm2      1.575 CV     1
 ASSI {  836}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.000     1.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.23161E-02 ppm1      8.612 ppm2      4.444 CV     1
 ASSI {  838}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.29684E-02 ppm1      8.612 ppm2      7.806 CV     1
 ASSI {  839}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.21712E-02 ppm1      8.613 ppm2      9.082 CV     1
 ASSI {  840}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 97   and name HE% )
      3.400     3.400     2.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.19348E-02 ppm1      8.609 ppm2      7.257 CV     1
 ASSI {  841}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      5.000     3.200     1.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.30567E-03 ppm1      8.618 ppm2      7.117 CV     1
 ASSI {  842}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   842 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      7.831 ppm2      4.053 CV     1
 ASSI {  843}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      7.833 ppm2      2.879 CV     1
 ASSI {  844}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      4.800     2.900     1.200 peak   844 spectrum    1 weight  0.10000E+01 volume  0.32142E-03 ppm1      8.613 ppm2      0.878 CV     1
 ASSI {  845}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.53255E-02 ppm1      7.832 ppm2      1.574 CV     1
 ASSI {  846}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   846 spectrum    1 weight  0.10000E+01 volume  0.91068E-03 ppm1      7.832 ppm2      4.476 CV     1
 ASSI {  849}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      4.700     2.700     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.56721E-03 ppm1      8.613 ppm2      2.125 CV     1
 ASSI {  850}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.13172E-02 ppm1      7.831 ppm2      3.001 CV     1
 ASSI {  851}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   851 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      7.833 ppm2      4.306 CV     1
 ASSI {  856}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      4.800     2.800     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.16701E-03 ppm1      7.831 ppm2      3.826 CV     1
 ASSI {  857}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.90437E-03 ppm1      7.836 ppm2      8.598 CV     1
 ASSI {  860}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.300     0.700     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.94534E-02 ppm1      8.447 ppm2      2.313 CV     1
 OR {  860}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  861}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      8.546 ppm2      4.411 CV     1
 ASSI {  863}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      8.548 ppm2      2.985 CV     1
 OR {  863}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  864}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.100     1.200     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.18970E-02 ppm1      8.549 ppm2      1.087 CV     1
 OR {  864}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  866}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.700     2.800     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.23193E-03 ppm1      8.555 ppm2      2.532 CV     1
 ASSI {  867}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.200     1.300     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.16071E-02 ppm1      8.552 ppm2      3.718 CV     1
 ASSI {  873}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   873 spectrum    1 weight  0.10000E+01 volume  0.12384E-02 ppm1      6.915 ppm2      4.388 CV     1
 ASSI {  874}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.28991E-02 ppm1      8.259 ppm2      8.453 CV     1
 ASSI {  875}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.61133E-02 ppm1      8.259 ppm2      1.584 CV     1
 OR {  875}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
 ASSI {  879}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.700     1.700     1.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.58612E-03 ppm1      8.260 ppm2      0.814 CV     1
 ASSI {  880}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.200     1.300     1.300 peak   880 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      8.259 ppm2      1.458 CV     1
 ASSI {  882}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.800     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.25619E-02 ppm1      6.914 ppm2      1.306 CV     1
 ASSI {  886}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      4.100     2.100     1.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.59242E-03 ppm1      8.258 ppm2      0.697 CV     1
 ASSI {  889}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak   889 spectrum    1 weight  0.10000E+01 volume  0.18308E-02 ppm1      8.538 ppm2      9.753 CV     1
 ASSI {  890}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.35924E-03 ppm1      8.260 ppm2      1.253 CV     1
 ASSI {  891}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.14117E-02 ppm1      6.916 ppm2      4.241 CV     1
 ASSI {  892}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.500     1.500     1.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.15283E-02 ppm1      8.438 ppm2      1.134 CV     1
 ASSI {  894}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     2.800     3.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.13361E-01 ppm1      6.900 ppm2      7.159 CV     1
 ASSI {  895}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.47898E-02 ppm1      8.435 ppm2      8.673 CV     1
 ASSI {  896}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      3.300     1.400     1.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.28203E-02 ppm1      8.430 ppm2      0.984 CV     1
 ASSI {  897}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.34033E-02 ppm1      8.432 ppm2      3.699 CV     1
 ASSI {  899}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      2.600     0.800     0.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.29211E-02 ppm1      8.430 ppm2      1.883 CV     1
 ASSI {  900}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.97059E-03 ppm1      8.434 ppm2      3.855 CV     1
 ASSI {  901}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.26249E-02 ppm1      8.491 ppm2      4.483 CV     1
 ASSI {  902}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.500     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.18813E-02 ppm1      8.492 ppm2      1.493 CV     1
 ASSI {  903}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HD3 ))
      2.900     1.000     1.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.33718E-02 ppm1      8.491 ppm2      3.787 CV     1
 ASSI {  905}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.63024E-02 ppm1      8.493 ppm2      2.002 CV     1
 OR {  905}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  909}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.600     1.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.95165E-03 ppm1      8.520 ppm2      9.090 CV     1
 ASSI {  911}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.86340E-02 ppm1      8.516 ppm2      4.094 CV     1
 ASSI {  912}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      3.100     1.200     1.200 peak   912 spectrum    1 weight  0.10000E+01 volume  0.15189E-02 ppm1      8.490 ppm2      4.030 CV     1
 OR {  912}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
 ASSI {  913}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.30157E-02 ppm1      8.518 ppm2      2.255 CV     1
 ASSI {  914}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.100     1.100 peak   914 spectrum    1 weight  0.10000E+01 volume  0.17332E-02 ppm1      8.445 ppm2      9.320 CV     1
 ASSI {  915}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.900     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      8.520 ppm2      3.223 CV     1
 ASSI {  916}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.400     1.400     1.400 peak   916 spectrum    1 weight  0.10000E+01 volume  0.18623E-02 ppm1      8.517 ppm2      2.807 CV     1
 ASSI {  917}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      3.700     1.700     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.45062E-03 ppm1      8.516 ppm2      2.472 CV     1
 ASSI {  918}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.800     1.000     1.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.29274E-02 ppm1      8.447 ppm2      4.559 CV     1
 ASSI {  920}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
      2.500     0.800     0.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.57352E-02 ppm1      8.447 ppm2      2.696 CV     1
 OR {  920}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  921}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   921 spectrum    1 weight  0.10000E+01 volume  0.86655E-03 ppm1      8.525 ppm2      4.725 CV     1
 ASSI {  922}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      3.300     1.300     1.300 peak   922 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      7.938 ppm2      4.277 CV     1
 ASSI {  923}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     1.100     1.100 peak   923 spectrum    1 weight  0.10000E+01 volume  0.19128E-02 ppm1      7.939 ppm2      4.357 CV     1
 ASSI {  924}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      5.600     3.900     0.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.84137E-04 ppm1      7.941 ppm2      2.139 CV     1
 ASSI {  925}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
      3.600     1.700     1.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.67433E-03 ppm1      7.940 ppm2      3.871 CV     1
 OR {  925}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI {  926}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.300     1.300     1.300 peak   926 spectrum    1 weight  0.10000E+01 volume  0.87602E-03 ppm1      6.712 ppm2      2.301 CV     1
 ASSI {  927}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.400     1.400     1.400 peak   927 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      6.716 ppm2      1.092 CV     1
 ASSI {  928}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      6.712 ppm2      4.439 CV     1
 ASSI {  929}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.20924E-02 ppm1      6.713 ppm2      1.512 CV     1
 ASSI {  930}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.600     0.900     0.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.22279E-02 ppm1      6.711 ppm2      2.136 CV     1
 ASSI {  931}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.300     2.300     1.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.28329E-03 ppm1      6.708 ppm2      3.976 CV     1
 ASSI {  932}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.900     1.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      6.714 ppm2      3.709 CV     1
 ASSI {  933}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.900     1.100     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.41281E-02 ppm1      6.713 ppm2      2.884 CV     1
 ASSI {  934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.49473E-03 ppm1      8.799 ppm2      7.777 CV     1
 ASSI {  935}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.29337E-02 ppm1      6.711 ppm2      4.224 CV     1
 ASSI {  936}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.500     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.17899E-02 ppm1      6.714 ppm2      1.933 CV     1
 ASSI {  938}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.34663E-02 ppm1      6.713 ppm2      3.185 CV     1
 ASSI {  939}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     3.500     2.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.32457E-03 ppm1      6.716 ppm2      8.578 CV     1
 ASSI {  940}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.40335E-03 ppm1      6.707 ppm2      7.681 CV     1
 ASSI {  941}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     3.000     3.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.25461E-02 ppm1      6.721 ppm2      8.099 CV     1
 ASSI {  942}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.800     2.900     1.200 peak   942 spectrum    1 weight  0.10000E+01 volume  0.39075E-03 ppm1      6.707 ppm2      7.031 CV     1
 ASSI {  943}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HD3 ))
      2.700     2.700     3.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.75943E-02 ppm1      6.711 ppm2      3.474 CV     1
 ASSI {  945}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.900     1.900     1.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.68696E-03 ppm1      7.809 ppm2      2.310 CV     1
 OR {  945}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
 ASSI {  947}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.16355E-02 ppm1      8.797 ppm2      4.361 CV     1
 ASSI {  948}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      8.796 ppm2      2.298 CV     1
 ASSI {  949}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.200     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      8.797 ppm2      2.126 CV     1
 ASSI {  950}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.900     1.900     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.68696E-03 ppm1      7.809 ppm2      4.645 CV     1
 ASSI {  951}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      8.796 ppm2      3.919 CV     1
 ASSI {  952}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.500     1.500     1.500 peak   952 spectrum    1 weight  0.10000E+01 volume  0.57982E-03 ppm1      8.795 ppm2      1.276 CV     1
 ASSI {  954}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.200     1.300     1.300 peak   954 spectrum    1 weight  0.10000E+01 volume  0.21270E-02 ppm1      8.797 ppm2      4.470 CV     1
 ASSI {  955}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      3.600     1.700     1.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      7.813 ppm2      3.220 CV     1
 ASSI {  956}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      3.500     1.500     1.500 peak   956 spectrum    1 weight  0.10000E+01 volume  0.14968E-02 ppm1      8.799 ppm2      2.456 CV     1
 ASSI {  959}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      2.300     0.600     0.600 peak   959 spectrum    1 weight  0.10000E+01 volume  0.93278E-02 ppm1      7.807 ppm2      1.576 CV     1
 ASSI {  960}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.56721E-02 ppm1      7.799 ppm2      4.173 CV     1
 ASSI {  961}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.68064E-03 ppm1      7.810 ppm2      9.087 CV     1
 ASSI {  963}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.400     1.400     1.400 peak   963 spectrum    1 weight  0.10000E+01 volume  0.11250E-02 ppm1      7.781 ppm2      1.278 CV     1
 ASSI {  965}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.600     0.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.61133E-02 ppm1      7.779 ppm2      8.378 CV     1
 ASSI {  967}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HE% )
      3.900     1.900     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      9.154 ppm2      7.220 CV     1
 ASSI {  969}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.000     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.29747E-02 ppm1      9.154 ppm2      3.514 CV     1
 ASSI {  970}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      7.775 ppm2      1.730 CV     1
 ASSI {  971}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HD% )
      2.900     1.100     1.100 peak   971 spectrum    1 weight  0.10000E+01 volume  0.81934E-03 ppm1      9.152 ppm2      7.355 CV     1
 ASSI {  979}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HG3 ))
      2.900     1.100     1.100 peak   979 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      9.147 ppm2      0.555 CV     1
 ASSI {  981}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      3.700     1.700     1.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.99894E-03 ppm1      9.154 ppm2      2.054 CV     1
 OR {  981}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  982}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      5.100     3.300     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.23193E-03 ppm1      9.151 ppm2      1.432 CV     1
 ASSI {  983}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.82874E-03 ppm1      9.153 ppm2      4.034 CV     1
 ASSI {  984}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      5.600     3.900     0.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.20955E-03 ppm1      9.152 ppm2      1.773 CV     1
 ASSI {  985}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      3.500     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.89181E-03 ppm1      8.413 ppm2      1.798 CV     1
 ASSI {  986}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.200     1.300     1.300 peak   986 spectrum    1 weight  0.10000E+01 volume  0.24894E-02 ppm1      7.839 ppm2      1.226 CV     1
 ASSI {  987}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.900     2.900     3.100 peak   987 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      8.432 ppm2      0.870 CV     1
 OR {  987}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI {  988}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HG3 ))
      3.500     1.500     1.500 peak   988 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      8.414 ppm2      2.323 CV     1
 OR {  988}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
 ASSI {  990}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      3.400     1.500     1.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.15788E-02 ppm1      8.415 ppm2      1.969 CV     1
 ASSI {  992}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.500     1.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.61763E-03 ppm1      8.415 ppm2      2.134 CV     1
 ASSI {  993}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.700     0.900     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.50419E-02 ppm1      7.838 ppm2      1.770 CV     1
 ASSI {  994}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      3.300     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.14653E-02 ppm1      7.837 ppm2      1.390 CV     1
 OR {  994}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG3 ))
 ASSI {  997}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.26407E-02 ppm1      9.089 ppm2      2.729 CV     1
 ASSI {  998}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      4.600     2.700     1.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.31449E-03 ppm1      9.092 ppm2      1.583 CV     1
 ASSI {  999}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      9.090 ppm2      4.089 CV     1
 ASSI { 1000}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.20262E-02 ppm1      9.089 ppm2      3.027 CV     1
 ASSI { 1002}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.30220E-02 ppm1      9.089 ppm2      2.251 CV     1
 ASSI { 1003}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      3.200     1.300     1.300 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.15346E-02 ppm1      9.088 ppm2      2.472 CV     1
 ASSI { 1005}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      3.100     1.200     1.200 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.15157E-02 ppm1      9.089 ppm2      2.873 CV     1
 ASSI { 1006}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.700     1.700     1.700 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      9.089 ppm2      1.978 CV     1
 ASSI { 1008}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.96112E-03 ppm1      9.090 ppm2      4.633 CV     1
 ASSI { 1010}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.600     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.46323E-03 ppm1      9.088 ppm2      4.280 CV     1
 ASSI { 1011}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.17426E-03 ppm1      7.875 ppm2      8.819 CV     1
 ASSI { 1012}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      1.700     1.700     4.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.31449E-01 ppm1      7.873 ppm2      7.991 CV     1
 ASSI { 1014}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.15882E-02 ppm1      7.872 ppm2      4.203 CV     1
 ASSI { 1015}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.54515E-02 ppm1      7.872 ppm2      1.997 CV     1
 ASSI { 1016}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.800     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.16103E-02 ppm1      7.872 ppm2      0.779 CV     1
 ASSI { 1017}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG13))
      2.800     1.000     1.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      7.873 ppm2      1.120 CV     1
 ASSI { 1020}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HG12))
      4.300     2.300     1.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.74371E-03 ppm1      8.190 ppm2      1.144 CV     1
 ASSI { 1021}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.400     2.400     1.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.45062E-03 ppm1      7.873 ppm2      1.538 CV     1
 ASSI { 1022}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.61763E-03 ppm1      7.873 ppm2      8.295 CV     1
 ASSI { 1026}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.500     0.800     0.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.45377E-02 ppm1      8.193 ppm2      8.400 CV     1
 ASSI { 1028}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.45062E-02 ppm1      8.195 ppm2      4.079 CV     1
 ASSI { 1029}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      8.194 ppm2      0.854 CV     1
 OR { 1029}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 1030}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      3.300     1.400     1.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.13298E-02 ppm1      8.195 ppm2      1.646 CV     1
 OR { 1030}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG3 ))
 ASSI { 1031}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     1.100     1.100 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.18182E-02 ppm1      8.194 ppm2      4.357 CV     1
 ASSI { 1032}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HG13))
      4.000     2.000     2.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.78152E-03 ppm1      8.194 ppm2      1.449 CV     1
 ASSI { 1034}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.30976E-02 ppm1      8.568 ppm2      4.425 CV     1
 ASSI { 1035}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.85399E-03 ppm1      7.751 ppm2      9.083 CV     1
 ASSI { 1036}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.800     1.800     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.40335E-03 ppm1      7.746 ppm2      3.712 CV     1
 ASSI { 1037}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.400     1.400     1.400 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      7.751 ppm2      1.221 CV     1
 ASSI { 1038}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.33402E-02 ppm1      7.752 ppm2      4.075 CV     1
 ASSI { 1039}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      2.600     0.800     0.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      7.751 ppm2      4.283 CV     1
 ASSI { 1042}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
      2.300     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.76890E-02 ppm1      7.752 ppm2      1.495 CV     1
 ASSI { 1043}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.500     1.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      7.753 ppm2      3.851 CV     1
 ASSI { 1044}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.11218E-02 ppm1      7.749 ppm2      4.439 CV     1
 ASSI { 1045}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      1.600     1.600     4.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.54200E-01 ppm1      7.750 ppm2      7.869 CV     1
 ASSI { 1047}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.400     1.500     1.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.20797E-02 ppm1      7.747 ppm2      1.893 CV     1
 ASSI { 1048}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      4.000     2.000     2.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.29369E-03 ppm1      8.762 ppm2      1.301 CV     1
 ASSI { 1050}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.000     1.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.30220E-02 ppm1      8.761 ppm2      2.039 CV     1
 OR { 1050}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI { 1051}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.900     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.38129E-02 ppm1      8.761 ppm2      4.294 CV     1
 ASSI { 1052}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      3.500     1.600     1.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.51364E-03 ppm1      8.758 ppm2      2.424 CV     1
 OR { 1052}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
 ASSI { 1053}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.92015E-03 ppm1      8.757 ppm2      1.738 CV     1
 ASSI { 1054}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      3.600     1.700     1.700 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.17993E-02 ppm1      8.109 ppm2      4.112 CV     1
 ASSI { 1055}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10273E-02 ppm1      8.110 ppm2      3.213 CV     1
 ASSI { 1056}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.500     1.500     1.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.11785E-02 ppm1      8.109 ppm2      4.784 CV     1
 ASSI { 1058}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      2.700     0.900     0.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.50104E-02 ppm1      8.110 ppm2      1.068 CV     1
 OR { 1058}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI { 1061}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG3 ))
      3.500     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.42856E-03 ppm1      8.111 ppm2      2.210 CV     1
 ASSI { 1062}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HD3 ))
      4.000     2.000     2.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.78777E-03 ppm1      8.115 ppm2      3.762 CV     1
 ASSI { 1063}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.900     1.900     1.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.39705E-03 ppm1      8.098 ppm2      3.971 CV     1
 ASSI { 1064}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.200     1.300     1.300 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.37184E-02 ppm1      8.111 ppm2      2.064 CV     1
 ASSI { 1065}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.900     3.900     2.100 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.106 ppm2      2.994 CV     1
 OR { 1065}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1066}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      4.100     2.100     1.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.67749E-03 ppm1      8.117 ppm2      1.935 CV     1
 ASSI { 1067}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.500     2.500     1.500 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.25398E-03 ppm1      8.111 ppm2      2.785 CV     1
 ASSI { 1069}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      3.700     1.700     1.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.21302E-02 ppm1      8.725 ppm2      1.189 CV     1
 ASSI { 1070}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.600     1.600     1.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.99262E-03 ppm1      8.723 ppm2      4.633 CV     1
 ASSI { 1071}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      2.900     1.100     1.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      8.725 ppm2      3.871 CV     1
 ASSI { 1072}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.200     2.200     1.800 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.96744E-03 ppm1      8.723 ppm2      1.591 CV     1
 ASSI { 1073}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400     0.700     0.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.30094E-02 ppm1      8.723 ppm2      2.472 CV     1
 ASSI { 1075}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.31039E-02 ppm1      8.724 ppm2      4.045 CV     1
 ASSI { 1076}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.200     1.300     1.300 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      8.723 ppm2      1.998 CV     1
 ASSI {    3}
   (  segid "    " and resid 97   and name HD% )
   (  segid "    " and resid 16   and name HD2%)
      3.100     1.200     1.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.63248E-03 ppm1      7.341 ppm2      0.643 CV     1
 ASSI {    6}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 72   and name HD2%)
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.20370E-02 ppm1      7.140 ppm2      0.900 CV     1
 ASSI {    9}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 15   and name HD2%)
      2.800     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.18826E-02 ppm1      6.770 ppm2      0.939 CV     1
 ASSI {   10}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
      1.900     0.400     0.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.21142E-01 ppm1      7.262 ppm2      0.950 CV     1
 ASSI {   12}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HG1%)
      3.200     1.300     1.300 peak    12 spectrum    1 weight  0.10000E+01 volume  0.82249E-03 ppm1      6.989 ppm2      1.077 CV     1
 ASSI {   13}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 43   and name HG1%)
      2.900     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      6.771 ppm2      1.079 CV     1
 ASSI {   14}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 58   and name HG13))
      3.400     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.81954E-03 ppm1      7.110 ppm2      1.097 CV     1
 ASSI {   15}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 43   and name HG1%)
      2.700     2.700     3.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15025E-02 ppm1      7.047 ppm2      1.101 CV     1
 OR {   15}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 43   and name HG2%)
 ASSI {   16}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 15   and name HD1%)
      3.300     1.400     1.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.71859E-03 ppm1      6.770 ppm2      1.188 CV     1
 ASSI {   17}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 15   and name HD1%)
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.19182E-02 ppm1      6.996 ppm2      1.193 CV     1
 ASSI {   18}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 72   and name HG  ))
      2.900     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.36523E-02 ppm1      7.051 ppm2      1.212 CV     1
 ASSI {   21}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 102  and name HB3 ))
      2.600     2.600     3.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      7.298 ppm2      1.273 CV     1
 ASSI {   22}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HB3 ))
      3.300     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.12560E-02 ppm1      6.993 ppm2      1.340 CV     1
 ASSI {   26}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 72   and name HB3 ))
      3.000     1.100     1.100 peak    26 spectrum    1 weight  0.10000E+01 volume  0.30288E-02 ppm1      7.049 ppm2      1.455 CV     1
 ASSI {   34}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 55   and name HG3 ))
      3.300     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.89973E-03 ppm1      6.885 ppm2      1.746 CV     1
 ASSI {   35}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 99   and name HB2 ))
      2.200     2.200     3.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.17698E-01 ppm1      7.291 ppm2      1.755 CV     1
 ASSI {   36}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HB3 ))
      3.100     3.100     2.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.29249E-02 ppm1      6.771 ppm2      2.033 CV     1
 ASSI {   39}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HB3 ))
      3.600     1.600     1.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.17727E-02 ppm1      7.131 ppm2      2.105 CV     1
 OR {   39}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG  ))
 ASSI {   40}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.31178E-02 ppm1      7.050 ppm2      2.154 CV     1
 ASSI {   42}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 51   and name HB3 ))
      6.000     4.800     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.46916E-04 ppm1      7.048 ppm2      2.903 CV     1
 ASSI {   45}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 60   and name HE3 ))
      1.900     1.900     4.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.16510E-01 ppm1      7.111 ppm2      2.983 CV     1
 OR {   45}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 60   and name HE2 ))
 ASSI {   47}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
      2.800     1.000     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.24201E-02 ppm1      7.249 ppm2      3.167 CV     1
 ASSI {   48}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB3 ))
      2.800     1.000     1.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.16955E-02 ppm1      7.138 ppm2      3.185 CV     1
 ASSI {   50}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 51   and name HB2 ))
      4.700     2.700     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.28922E-03 ppm1      7.038 ppm2      3.202 CV     1
 ASSI {   51}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      6.985 ppm2      3.215 CV     1
 ASSI {   53}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      7.138 ppm2      3.315 CV     1
 ASSI {   56}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.35633E-02 ppm1      7.052 ppm2      3.420 CV     1
 OR {   56}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 98   and name HB3 ))
 ASSI {   58}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HD3 ))
      4.100     2.100     1.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.47510E-03 ppm1      7.192 ppm2      3.826 CV     1
 ASSI {   62}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 29   and name HA2 ))
      3.500     1.600     1.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.68890E-03 ppm1      7.205 ppm2      3.927 CV     1
 OR {   62}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {   63}
   (( segid "    " and resid 75   and name HZ  ))
   (( segid "    " and resid 57   and name HA2 ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.14015E-02 ppm1      7.262 ppm2      3.983 CV     1
 ASSI {   65}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.19271E-02 ppm1      7.313 ppm2      4.221 CV     1
 ASSI {   68}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 51   and name HA  ))
      4.700     2.700     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.17876E-03 ppm1      7.052 ppm2      4.233 CV     1
 ASSI {   69}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      6.887 ppm2      4.234 CV     1
 ASSI {   70}
   (  segid "    " and resid 97   and name HE% )
   (( segid "    " and resid 95   and name HA  ))
      4.200     2.200     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.14491E-03 ppm1      7.183 ppm2      4.244 CV     1
 ASSI {   71}
   (( segid "    " and resid 98   and name HE3 ))
   (( segid "    " and resid 98   and name HA  ))
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.96206E-03 ppm1      7.411 ppm2      4.360 CV     1
 ASSI {   74}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.600     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.31178E-03 ppm1      6.985 ppm2      4.475 CV     1
 ASSI {   77}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.51668E-03 ppm1      7.364 ppm2      4.548 CV     1
 ASSI {   78}
   (( segid "    " and resid 98   and name HZ2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     3.100     2.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.56715E-03 ppm1      7.661 ppm2      4.559 CV     1
 ASSI {   79}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.700     1.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.68595E-03 ppm1      7.213 ppm2      4.673 CV     1
 ASSI {   80}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HA  ))
      3.500     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      6.990 ppm2      4.778 CV     1
 ASSI {   81}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.13451E-02 ppm1      7.193 ppm2      4.841 CV     1
 ASSI {   83}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 27   and name HE% )
      2.300     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.74237E-02 ppm1      7.194 ppm2      6.862 CV     1
 ASSI {   84}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 51   and name HD% )
      2.200     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.91458E-02 ppm1      7.045 ppm2      6.892 CV     1
 ASSI {   85}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 40   and name HD% )
      2.300     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.52855E-02 ppm1      6.771 ppm2      6.981 CV     1
 ASSI {   86}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 24   and name HE% )
      1.900     0.500     0.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19657E-01 ppm1      7.286 ppm2      7.048 CV     1
 ASSI {   90}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 98   and name HZ2 ))
      3.300     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.26813E-02 ppm1      7.317 ppm2      7.660 CV     1
 ASSI {    9}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.48274E-02 ppm1      0.783 ppm2      3.887 CV     1
 OR {    9}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {   27}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      0.686 ppm2      3.719 CV     1
 OR {   27}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 94   and name HA  ))
 ASSI {   43}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.24794E-02 ppm1      0.563 ppm2      3.907 CV     1
 OR {   43}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI {   45}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.100     3.100     2.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      0.565 ppm2      1.739 CV     1
 OR {   45}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
 OR {   45}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 99   and name HB3 ))
 OR {   45}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {   47}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.53075E-02 ppm1      0.564 ppm2      1.238 CV     1
 OR {   47}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {   51}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 72   and name HD2%)
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.19840E-02 ppm1     -0.505 ppm2      0.904 CV     1
 OR {   51}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 59   and name HD2%)
 ASSI {   57}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HE2 ))
      3.300     1.400     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.14103E-02 ppm1      1.505 ppm2      2.917 CV     1
 OR {   57}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HE3 ))
 OR {   57}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 81   and name HE3 ))
 ASSI {   62}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 77   and name HB  ))
      3.400     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.16175E-02 ppm1      1.504 ppm2      4.302 CV     1
 OR {   62}
   (  segid "    " and resid 78   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
 ASSI {   74}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.800     1.800     1.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      0.979 ppm2      4.232 CV     1
 OR {   74}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI {   75}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HG13))
      2.500     0.800     0.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.77844E-02 ppm1      0.980 ppm2      0.801 CV     1
 OR {   75}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
 ASSI {   82}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.23429E-02 ppm1      1.582 ppm2      4.103 CV     1
 OR {   82}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   90}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.98570E-03 ppm1      1.475 ppm2      3.720 CV     1
 OR {   90}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 94   and name HA  ))
 ASSI {   98}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 95   and name HB3 ))
      3.500     1.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.12081E-02 ppm1      1.642 ppm2      4.046 CV     1
 OR {   98}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 88   and name HB3 ))
 OR {   98}
   (  segid "    " and resid 92   and name HB% )
   (( segid "    " and resid 95   and name HB2 ))
 ASSI {  100}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 54   and name HG2 ))
      3.300     1.300     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.21458E-02 ppm1      0.763 ppm2      1.487 CV     1
 OR {  100}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 91   and name HB% )
 ASSI {  109}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 12   and name HD1%)
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.16833E-02 ppm1      0.761 ppm2      1.275 CV     1
 OR {  109}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 87   and name HG2%)
 ASSI {  112}
   (  segid "    " and resid 20   and name HB% )
   (  segid "    " and resid 30   and name HD1%)
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.67232E-02 ppm1      1.693 ppm2      0.872 CV     1
 OR {  112}
   (  segid "    " and resid 20   and name HB% )
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  117}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.28054E-02 ppm1      1.437 ppm2      3.984 CV     1
 OR {  117}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 64   and name HB2 ))
 OR {  117}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 64   and name HB3 ))
 OR {  117}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HA1 ))
 ASSI {  120}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.46504E-02 ppm1      1.586 ppm2      4.070 CV     1
 OR {  120}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  122}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 30   and name HD1%)
      2.900     1.100     1.100 peak   122 spectrum    1 weight  0.10000E+01 volume  0.53075E-02 ppm1      1.585 ppm2      0.902 CV     1
 OR {  122}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 15   and name HD2%)
 OR {  122}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 35   and name HD2%)
 ASSI {  124}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 35   and name HD1%)
      2.900     1.100     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.35384E-02 ppm1      1.586 ppm2      0.837 CV     1
 OR {  124}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 30   and name HD1%)
 ASSI {  133}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      3.700     1.700     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.83149E-03 ppm1      0.952 ppm2      4.245 CV     1
 OR {  133}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  148}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 95   and name HB2 ))
      3.100     1.200     1.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30834E-02 ppm1      1.192 ppm2      4.016 CV     1
 OR {  148}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 88   and name HB2 ))
 OR {  148}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 88   and name HB3 ))
 OR {  148}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 85   and name HA1 ))
 OR {  148}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  152}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.31845E-02 ppm1      1.100 ppm2      2.112 CV     1
 OR {  152}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HG2 ))
 OR {  152}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 40   and name HB3 ))
 OR {  152}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {  158}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 47   and name HB3 ))
      3.100     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.28307E-02 ppm1      1.099 ppm2      1.989 CV     1
 OR {  158}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HB3 ))
 ASSI {  159}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HB  ))
      1.800     0.400     0.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.31087E-01 ppm1      1.193 ppm2      4.303 CV     1
 OR {  159}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
 ASSI {  163}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 6    and name HD1%)
      4.300     2.300     1.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.32604E-03 ppm1      1.103 ppm2      0.802 CV     1
 OR {  163}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 35   and name HD1%)
 ASSI {  166}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.58888E-02 ppm1      1.230 ppm2      3.870 CV     1
 OR {  166}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  170}
   (  segid "    " and resid 16   and name HD1%)
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.000     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.60911E-02 ppm1      0.547 ppm2      0.881 CV     1
 OR {  170}
   (  segid "    " and resid 16   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  170}
   (  segid "    " and resid 16   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  172}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      0.546 ppm2      1.983 CV     1
 OR {  172}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  184}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 12   and name HB3 ))
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.61922E-02 ppm1      1.026 ppm2      2.017 CV     1
 OR {  184}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 94   and name HG13))
 OR {  184}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  185}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 15   and name HD1%)
      1.800     1.800     4.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.17287E-01 ppm1      1.030 ppm2      1.220 CV     1
 OR {  185}
   (  segid "    " and resid 93   and name HG1%)
   (  segid "    " and resid 80   and name HG2%)
 OR {  185}
   (  segid "    " and resid 93   and name HG1%)
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  190}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HB2 ))
      3.400     1.500     1.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      1.313 ppm2      2.686 CV     1
 OR {  190}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 90   and name HG2 ))
 OR {  190}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 89   and name HB3 ))
 ASSI {  193}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      1.311 ppm2      2.311 CV     1
 OR {  193}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 86   and name HB  ))
 ASSI {  196}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 34   and name HD1%)
      3.600     1.600     1.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      1.281 ppm2      0.904 CV     1
 OR {  196}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 34   and name HD2%)
 OR {  196}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 35   and name HD2%)
 ASSI {  200}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 94   and name HB  ))
      2.100     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.15771E-01 ppm1      0.813 ppm2      1.897 CV     1
 OR {  200}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HG2 ))
 ASSI {  205}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.68494E-02 ppm1      0.776 ppm2      4.106 CV     1
 OR {  205}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  208}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      1.075 ppm2      2.098 CV     1
 OR {  208}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HG2 ))
 OR {  208}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {  209}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   209 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      1.075 ppm2      1.576 CV     1
 OR {  209}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 6    and name HG  ))
 ASSI {  211}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.26285E-02 ppm1      1.074 ppm2      3.227 CV     1
 OR {  211}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  226}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 16   and name HD1%)
      3.600     1.700     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      1.275 ppm2      0.551 CV     1
 OR {  226}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 99   and name HG3 ))
 ASSI {  227}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 16   and name HD2%)
      3.500     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12283E-02 ppm1      1.275 ppm2      0.639 CV     1
 OR {  227}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  230}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 55   and name HG3 ))
      2.400     0.700     0.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.83660E-02 ppm1      1.275 ppm2      1.750 CV     1
 OR {  230}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 96   and name HD2 ))
 OR {  230}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  231}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.99074E-02 ppm1      1.275 ppm2      2.015 CV     1
 OR {  231}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
 OR {  231}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  243}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 51   and name HB2 ))
      4.000     2.000     2.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.62427E-03 ppm1      0.672 ppm2      3.194 CV     1
 OR {  243}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  246}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 40   and name HB3 ))
      3.200     1.300     1.300 peak   246 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      0.674 ppm2      2.106 CV     1
 OR {  246}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  251}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 43   and name HB  ))
      3.300     1.400     1.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.14078E-02 ppm1      0.674 ppm2      2.313 CV     1
 OR {  251}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 7    and name HG2 ))
 OR {  251}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 42   and name HG2 ))
 OR {  251}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  254}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 19   and name HD2%)
      3.200     3.200     2.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.17464E-02 ppm1      0.674 ppm2      0.571 CV     1
 OR {  254}
   (  segid "    " and resid 6    and name HD2%)
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  257}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 85   and name HA2 ))
      3.300     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.10160E-02 ppm1      1.459 ppm2      4.305 CV     1
 OR {  257}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  261}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 85   and name HA2 ))
      2.600     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      1.302 ppm2      4.310 CV     1
 OR {  261}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  280}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HD3 ))
      2.100     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.13421E-01 ppm1      0.890 ppm2      1.456 CV     1
 OR {  280}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 72   and name HB3 ))
 OR {  280}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HD2 ))
 ASSI {  283}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 75   and name HB3 ))
      2.800     1.000     1.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      0.898 ppm2      3.205 CV     1
 OR {  283}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  300}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 60   and name HE2 ))
      3.400     3.400     2.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.58888E-03 ppm1      0.910 ppm2      2.947 CV     1
 OR {  300}
   (  segid "    " and resid 72   and name HD2%)
   (( segid "    " and resid 60   and name HE3 ))
 OR {  300}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  308}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 57   and name HA1 ))
      6.000     5.800     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.19663E-04 ppm1      1.409 ppm2      3.896 CV     1
 OR {  308}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  308}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  311}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HD2 ))
      1.800     0.400     0.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.39175E-01 ppm1      1.412 ppm2      1.645 CV     1
 OR {  311}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HD3 ))
 OR {  311}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HD3 ))
 OR {  311}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HD2 ))
 OR {  311}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HD3 ))
 OR {  311}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HD2 ))
 OR {  311}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  312}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HE2 ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.37658E-02 ppm1      1.400 ppm2      2.952 CV     1
 OR {  312}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HE2 ))
 OR {  312}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HE3 ))
 OR {  312}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HE3 ))
 OR {  312}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HE3 ))
 OR {  312}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HE2 ))
 OR {  312}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HE3 ))
 ASSI {  317}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      1.403 ppm2      4.012 CV     1
 OR {  317}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  317}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  327}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 94   and name HG13))
      2.300     2.300     3.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.71523E-02 ppm1      1.539 ppm2      1.944 CV     1
 OR {  327}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI {  328}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HA  ))
      2.300     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.11020E-01 ppm1      1.534 ppm2      4.020 CV     1
 OR {  328}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  329}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HG2 ))
      1.600     0.300     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.33362E-01 ppm1      1.551 ppm2      1.679 CV     1
 OR {  329}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI {  334}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.000     1.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      1.674 ppm2      4.028 CV     1
 OR {  334}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  344}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.500     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.43471E-02 ppm1      1.676 ppm2      2.045 CV     1
 OR {  344}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR {  344}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  344}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  346}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 59   and name HB3 ))
      3.500     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      0.602 ppm2      1.598 CV     1
 OR {  346}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 15   and name HG  ))
 OR {  346}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 18   and name HB% )
 ASSI {  363}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 19   and name HD2%)
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      0.879 ppm2      0.612 CV     1
 OR {  363}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB3 ))
 ASSI {  369}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HA  ))
      3.600     1.600     1.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.90732E-03 ppm1      0.525 ppm2      3.864 CV     1
 OR {  369}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  375}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HA  ))
      3.900     1.900     1.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      1.474 ppm2      3.861 CV     1
 OR {  375}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  377}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
      6.000     6.000     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.30329E-05 ppm1      0.883 ppm2      3.936 CV     1
 OR {  377}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  382}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 55   and name HG3 ))
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.15872E-02 ppm1      1.194 ppm2      1.757 CV     1
 OR {  382}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  382}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  383}
   (( segid "    " and resid 96   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
      3.700     3.700     2.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.30076E-03 ppm1      1.562 ppm2      0.803 CV     1
 OR {  383}
   (( segid "    " and resid 96   and name HG3 ))
   (  segid "    " and resid 94   and name HD1%)
 OR {  383}
   (( segid "    " and resid 96   and name HG3 ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI {  390}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      2.500     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      0.990 ppm2      1.615 CV     1
 OR {  390}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HG  ))
 ASSI {  391}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
      1.400     0.200     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.12738E+00 ppm1      0.995 ppm2      2.102 CV     1
 OR {  391}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  394}
   (( segid "    " and resid 16   and name HG  ))
   (  segid "    " and resid 16   and name HD1%)
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.22924E-02 ppm1      1.866 ppm2      0.552 CV     1
 OR {  394}
   (( segid "    " and resid 16   and name HG  ))
   (  segid "    " and resid 62   and name HD1%)
 ASSI {  396}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.400     2.400     3.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.15367E-01 ppm1      0.936 ppm2      3.932 CV     1
 OR {  396}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  402}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 12   and name HD1%)
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11348E-01 ppm1      0.933 ppm2      1.280 CV     1
 OR {  402}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
 OR {  402}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HB3 ))
 ASSI {  403}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak   403 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      0.937 ppm2      4.217 CV     1
 OR {  403}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 OR {  403}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  403}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  405}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 91   and name HB% )
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.48526E-02 ppm1      1.028 ppm2      1.477 CV     1
 OR {  405}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 72   and name HB3 ))
 ASSI {  406}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.22722E-02 ppm1      1.025 ppm2      1.685 CV     1
 OR {  406}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 12   and name HG  ))
 OR {  406}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  408}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.45493E-02 ppm1      0.934 ppm2      1.753 CV     1
 OR {  408}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {  408}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 OR {  408}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  409}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HG  ))
      2.100     0.600     0.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.11070E-01 ppm1      0.935 ppm2      1.582 CV     1
 OR {  409}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  411}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 76   and name HD1%)
      2.600     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.36394E-02 ppm1      1.026 ppm2      0.818 CV     1
 OR {  411}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  413}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB3 ))
      2.900     1.000     1.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      0.937 ppm2      0.615 CV     1
 OR {  413}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 19   and name HD2%)
 ASSI {  419}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      1.920 ppm2      4.103 CV     1
 OR {  419}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  421}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.300     1.400     1.400 peak   421 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      1.893 ppm2      1.675 CV     1
 OR {  421}
   (( segid "    " and resid 16   and name HG  ))
   (  segid "    " and resid 72   and name HD1%)
 OR {  421}
   (( segid "    " and resid 16   and name HG  ))
   (( segid "    " and resid 12   and name HG  ))
 ASSI {  427}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 18   and name HB% )
      4.500     2.500     1.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25274E-03 ppm1      1.916 ppm2      1.590 CV     1
 OR {  427}
   (( segid "    " and resid 35   and name HG  ))
   (  segid "    " and resid 18   and name HB% )
 OR {  427}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 15   and name HG  ))
 ASSI {  429}
   (( segid "    " and resid 35   and name HG  ))
   (  segid "    " and resid 35   and name HD2%)
      2.100     0.600     0.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.12384E-01 ppm1      1.904 ppm2      0.902 CV     1
 OR {  429}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  443}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 9    and name HA1 ))
      3.600     1.600     1.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      1.137 ppm2      4.034 CV     1
 OR {  443}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 9    and name HA2 ))
 OR {  443}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  443}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  458}
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 58   and name HG13))
      3.700     3.700     2.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.14330E-02 ppm1      2.102 ppm2      1.139 CV     1
 OR {  458}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 12   and name HD2%)
 ASSI {  467}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB3 ))
      2.900     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.30834E-02 ppm1      1.390 ppm2      0.631 CV     1
 OR {  467}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI {  468}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
      2.200     0.600     0.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.89470E-02 ppm1      1.618 ppm2      0.966 CV     1
 OR {  468}
   (( segid "    " and resid 39   and name HG  ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  468}
   (( segid "    " and resid 39   and name HG  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  476}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 19   and name HD2%)
      4.300     2.300     1.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.56614E-03 ppm1      1.606 ppm2      0.607 CV     1
 OR {  476}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  478}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      1.577 ppm2      4.107 CV     1
 OR {  478}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  481}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.45241E-02 ppm1      1.574 ppm2      0.912 CV     1
 OR {  481}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
 OR {  481}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  483}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HG3 ))
      1.600     0.300     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.35384E-01 ppm1      1.647 ppm2      1.911 CV     1
 OR {  483}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HB3 ))
 OR {  483}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  487}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.37658E-02 ppm1      1.608 ppm2      2.491 CV     1
 OR {  487}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HG3 ))
 ASSI {  506}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.200     0.600     0.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.90732E-02 ppm1      1.646 ppm2      2.084 CV     1
 OR {  506}
   (( segid "    " and resid 39   and name HG  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  510}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20623E-02 ppm1      1.639 ppm2      3.726 CV     1
 OR {  510}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 94   and name HA  ))
 ASSI {  511}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 82   and name HG2 ))
      4.300     2.300     1.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.50043E-03 ppm1      1.842 ppm2      1.464 CV     1
 OR {  511}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 91   and name HB% )
 ASSI {  514}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      1.645 ppm2      3.997 CV     1
 OR {  514}
   (( segid "    " and resid 39   and name HG  ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {  523}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     2.700     3.300 peak   523 spectrum    1 weight  0.10000E+01 volume  0.66471E-02 ppm1      1.214 ppm2      3.434 CV     1
 OR {  523}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 98   and name HB3 ))
 OR {  523}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI {  524}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.38164E-02 ppm1      1.929 ppm2      3.999 CV     1
 OR {  524}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  524}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  535}
   (( segid "    " and resid 30   and name HG13))
   (  segid "    " and resid 30   and name HD1%)
      2.200     0.600     0.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.11474E-01 ppm1      1.211 ppm2      0.883 CV     1
 OR {  535}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD2%)
 OR {  535}
   (( segid "    " and resid 30   and name HG13))
   (  segid "    " and resid 30   and name HG2%)
 ASSI {  543}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HG2 ))
      1.700     0.300     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.21938E-01 ppm1      2.092 ppm2      2.313 CV     1
 OR {  543}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  545}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 58   and name HD1%)
      3.400     1.400     1.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19689E-02 ppm1      1.837 ppm2      0.801 CV     1
 OR {  545}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  545}
   (( segid "    " and resid 79   and name HB3 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  547}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 7    and name HG3 ))
      3.000     1.100     1.100 peak   547 spectrum    1 weight  0.10000E+01 volume  0.23025E-02 ppm1      1.930 ppm2      2.298 CV     1
 OR {  547}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  547}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HG2 ))
 OR {  547}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  549}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     6.000     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.52064E-05 ppm1      1.931 ppm2      4.189 CV     1
 OR {  549}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  549}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  551}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.200     1.300     1.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.13421E-02 ppm1      2.095 ppm2      3.720 CV     1
 OR {  551}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 36   and name HD2 ))
 OR {  551}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI {  559}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
      3.300     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      2.150 ppm2      0.793 CV     1
 OR {  559}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 86   and name HG2%)
 OR {  559}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  559}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  564}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.000     2.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.63438E-03 ppm1      2.162 ppm2      4.447 CV     1
 OR {  564}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  565}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      1.500     0.300     0.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.47262E-01 ppm1      2.084 ppm2      1.941 CV     1
 OR {  565}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG3 ))
 OR {  565}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR {  565}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  566}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      2.095 ppm2      4.447 CV     1
 OR {  566}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  572}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   572 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      1.930 ppm2      4.461 CV     1
 OR {  572}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  572}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
 OR {  572}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  572}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  574}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16580E-02 ppm1      0.635 ppm2      3.551 CV     1
 OR {  574}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 97   and name HB2 ))
 ASSI {  580}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 14   and name HA2 ))
      3.100     1.200     1.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      0.638 ppm2      3.993 CV     1
 OR {  580}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 13   and name HB3 ))
 OR {  580}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  582}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      1.532 ppm2      2.150 CV     1
 OR {  582}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  585}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      1.600     0.300     0.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.25526E-01 ppm1      1.930 ppm2      2.059 CV     1
 OR {  585}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  590}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
      4.500     2.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.27549E-03 ppm1      1.927 ppm2      4.310 CV     1
 OR {  590}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  592}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 37   and name HA  ))
      2.000     2.000     4.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.24870E-01 ppm1      2.095 ppm2      3.786 CV     1
 OR {  592}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 44   and name HD3 ))
 ASSI {  594}
   (( segid "    " and resid 50   and name HG3 ))
   (  segid "    " and resid 43   and name HG2%)
      3.700     1.700     1.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.97053E-03 ppm1      2.114 ppm2      1.101 CV     1
 OR {  594}
   (( segid "    " and resid 45   and name HG3 ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  595}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     2.700     3.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      2.103 ppm2      4.133 CV     1
 OR {  595}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI {  596}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 58   and name HD1%)
      4.000     2.000     2.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.62680E-03 ppm1      1.543 ppm2      0.777 CV     1
 OR {  596}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  597}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 58   and name HD1%)
      3.100     3.100     2.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.31340E-02 ppm1      1.662 ppm2      0.774 CV     1
 OR {  597}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  599}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.97308E-03 ppm1      1.677 ppm2      0.874 CV     1
 OR {  599}
   (( segid "    " and resid 56   and name HG3 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  628}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   628 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      2.263 ppm2      4.103 CV     1
 OR {  628}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  629}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      1.600     0.300     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.30581E-01 ppm1      2.258 ppm2      1.983 CV     1
 OR {  629}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {  631}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 85   and name HA2 ))
      2.700     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.60911E-02 ppm1      1.634 ppm2      4.319 CV     1
 OR {  631}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 85   and name HA2 ))
 OR {  631}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  636}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     3.000     3.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.51306E-02 ppm1      2.179 ppm2      4.251 CV     1
 OR {  636}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  636}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI {  641}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HE3 ))
      1.800     0.400     0.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.36900E-01 ppm1      1.624 ppm2      2.930 CV     1
 OR {  641}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HE2 ))
 OR {  641}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 104  and name HE3 ))
 OR {  641}
   (( segid "    " and resid 104  and name HD2 ))
   (( segid "    " and resid 104  and name HE2 ))
 OR {  641}
   (( segid "    " and resid 104  and name HD2 ))
   (( segid "    " and resid 104  and name HE3 ))
 OR {  641}
   (( segid "    " and resid 104  and name HD3 ))
   (( segid "    " and resid 104  and name HE2 ))
 OR {  641}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HE2 ))
 ASSI {  643}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.48779E-02 ppm1      1.659 ppm2      3.992 CV     1
 OR {  643}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  643}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  643}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  643}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  643}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  643}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  650}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10969E-01 ppm1      1.779 ppm2      1.656 CV     1
 OR {  650}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR {  650}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR {  650}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  651}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HB2 ))
      2.100     0.500     0.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.18222E-01 ppm1      1.779 ppm2      2.028 CV     1
 OR {  651}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  651}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  651}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  651}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {  651}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR {  651}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  652}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HG3 ))
      1.700     0.400     0.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.39680E-01 ppm1      1.780 ppm2      1.521 CV     1
 OR {  652}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HG3 ))
 OR {  652}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HG3 ))
 OR {  652}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {  653}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HE3 ))
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.72538E-02 ppm1      1.781 ppm2      3.047 CV     1
 OR {  653}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HE2 ))
 OR {  653}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR {  653}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HE3 ))
 OR {  653}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HE3 ))
 OR {  653}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HE2 ))
 OR {  653}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HE2 ))
 ASSI {  658}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HA  ))
      3.000     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      1.781 ppm2      4.033 CV     1
 OR {  658}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HA  ))
 OR {  658}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 95   and name HB3 ))
 OR {  658}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  659}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HB2 ))
      3.800     1.800     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.51054E-03 ppm1      1.347 ppm2      1.799 CV     1
 OR {  659}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  660}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HB3 ))
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.30329E-02 ppm1      1.355 ppm2      1.706 CV     1
 OR {  660}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  661}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HB2 ))
      3.000     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.23681E-02 ppm1      1.401 ppm2      1.795 CV     1
 OR {  661}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 96   and name HD3 ))
 ASSI {  662}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HB3 ))
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      1.409 ppm2      1.689 CV     1
 OR {  662}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  667}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HA  ))
      4.200     2.200     1.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.35637E-03 ppm1      1.348 ppm2      3.860 CV     1
 OR {  667}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 100  and name HB3 ))
 OR {  667}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  668}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      6.000     4.900     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.41955E-04 ppm1      1.677 ppm2      4.003 CV     1
 OR {  668}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  668}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  668}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  668}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  668}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  669}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 93   and name HG1%)
      4.600     2.600     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.20927E-03 ppm1      0.928 ppm2      1.024 CV     1
 OR {  669}
   (( segid "    " and resid 94   and name HG12))
   (  segid "    " and resid 76   and name HD2%)
 ASSI {  684}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.59647E-03 ppm1      2.143 ppm2      0.956 CV     1
 OR {  684}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 OR {  684}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  691}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 85   and name HA2 ))
      6.000     5.700     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.35131E-04 ppm1      1.690 ppm2      4.279 CV     1
 OR {  691}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 51   and name HA  ))
 OR {  691}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 85   and name HA2 ))
 ASSI {  698}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      2.136 ppm2      2.047 CV     1
 OR {  698}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  702}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HG2 ))
      4.300     2.300     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.17464E-03 ppm1      2.141 ppm2      2.476 CV     1
 OR {  702}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  703}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 72   and name HD1%)
      6.000     5.200     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.32604E-04 ppm1      1.787 ppm2      1.678 CV     1
 OR {  703}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 60   and name HD3 ))
 OR {  703}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 60   and name HD2 ))
 OR {  703}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 12   and name HG  ))
 ASSI {  704}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 76   and name HA  ))
      5.300     3.600     0.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.92505E-04 ppm1      1.793 ppm2      3.752 CV     1
 OR {  704}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  706}
   (( segid "    " and resid 58   and name HG13))
   (  segid "    " and resid 94   and name HG2%)
      6.000     4.800     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.42966E-04 ppm1      1.131 ppm2      0.983 CV     1
 OR {  706}
   (( segid "    " and resid 58   and name HG13))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  718}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 52   and name HG  ))
      6.000     4.800     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.31340E-04 ppm1      1.786 ppm2      1.408 CV     1
 OR {  718}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
 OR {  718}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 53   and name HB% )
 OR {  718}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 53   and name HB% )
 ASSI {  720}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HG2%)
      4.400     2.400     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.81383E-04 ppm1      1.800 ppm2      0.981 CV     1
 OR {  720}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  721}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 52   and name HD2%)
      6.000     4.400     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.38922E-04 ppm1      1.798 ppm2      0.882 CV     1
 OR {  721}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  721}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 OR {  721}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI {  723}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     5.600     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.11146E-04 ppm1      1.786 ppm2      0.605 CV     1
 OR {  723}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 52   and name HB3 ))
 OR {  723}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  727}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 39   and name HD2%)
      6.000     6.000     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.44988E-06 ppm1      1.986 ppm2      0.950 CV     1
 OR {  727}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
 OR {  727}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 15   and name HD2%)
 OR {  727}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 15   and name HD2%)
 OR {  727}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  728}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
      3.100     1.200     1.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.17187E-02 ppm1      2.009 ppm2      2.303 CV     1
 OR {  728}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HG2 ))
 OR {  728}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
 OR {  728}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  728}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HG3 ))
 ASSI {  729}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.400     2.400     3.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      2.136 ppm2      1.990 CV     1
 OR {  729}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR {  729}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HB3 ))
 ASSI {  730}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      4.600     2.600     1.400 peak   730 spectrum    1 weight  0.10000E+01 volume  0.29318E-03 ppm1      2.143 ppm2      0.947 CV     1
 OR {  730}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
 OR {  730}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  738}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.900     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.52823E-04 ppm1      2.130 ppm2      4.445 CV     1
 OR {  738}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 31   and name HB  ))
 ASSI {  740}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.51054E-03 ppm1      2.017 ppm2      4.292 CV     1
 OR {  740}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  747}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      5.600     3.900     0.400 peak   747 spectrum    1 weight  0.10000E+01 volume  0.62680E-04 ppm1      2.140 ppm2      4.356 CV     1
 OR {  747}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  748}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      3.100     3.100     2.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.58383E-03 ppm1      2.306 ppm2      2.145 CV     1
 OR {  748}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI {  750}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     2.800     3.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.17161E-02 ppm1      2.138 ppm2      2.320 CV     1
 OR {  750}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
 OR {  750}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HG3 ))
 OR {  750}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  750}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI {  751}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.400     0.200     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.75318E-01 ppm1      1.982 ppm2      2.136 CV     1
 OR {  751}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  751}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR {  751}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      1.900     0.500     0.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.17490E-01 ppm1      1.976 ppm2      2.316 CV     1
 OR {  753}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR {  753}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HG2 ))
 OR {  753}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
 OR {  753}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  753}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HG3 ))
 ASSI {  758}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 39   and name HD2%)
      1.800     1.800     4.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.38922E-01 ppm1      1.911 ppm2      0.965 CV     1
 OR {  758}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI {  777}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 15   and name HD2%)
      3.500     1.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12258E-02 ppm1      1.599 ppm2      0.970 CV     1
 OR {  777}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  778}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 6    and name HD1%)
      3.100     3.100     2.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      1.605 ppm2      0.783 CV     1
 OR {  778}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  800}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HB3 ))
      4.100     2.100     1.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.97053E-03 ppm1      1.712 ppm2      0.607 CV     1
 OR {  800}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI {  803}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 52   and name HD1%)
      3.600     1.600     1.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.81383E-03 ppm1      1.306 ppm2      0.942 CV     1
 OR {  803}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 15   and name HD2%)
 OR {  803}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  809}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
      1.800     0.400     0.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.29065E-01 ppm1      2.562 ppm2      2.110 CV     1
 OR {  809}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG3 ))
 OR {  809}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  826}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      5.900     4.400     0.100 peak   826 spectrum    1 weight  0.10000E+01 volume  0.46504E-04 ppm1      1.918 ppm2      4.242 CV     1
 OR {  826}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  826}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
 OR {  826}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  826}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  827}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HE2 ))
      2.500     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.53834E-02 ppm1      1.927 ppm2      2.936 CV     1
 OR {  827}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HE2 ))
 OR {  827}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HE3 ))
 OR {  827}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HE3 ))
 OR {  827}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI {  830}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HD3 ))
      2.300     0.700     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.96549E-02 ppm1      1.926 ppm2      1.682 CV     1
 OR {  830}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD2 ))
 OR {  830}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HD2 ))
 OR {  830}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HD3 ))
 OR {  830}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HD2 ))
 OR {  830}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD3 ))
 OR {  830}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  834}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.100     0.600     0.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.11955E-01 ppm1      1.928 ppm2      4.005 CV     1
 OR {  834}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  834}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  836}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 92   and name HB% )
      2.800     1.000     1.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.59647E-02 ppm1      2.372 ppm2      1.641 CV     1
 OR {  836}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 12   and name HG  ))
 ASSI {  872}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HB2 ))
      1.800     0.400     0.400 peak   872 spectrum    1 weight  0.10000E+01 volume  0.14002E-01 ppm1      1.755 ppm2      1.831 CV     1
 OR {  872}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  886}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
      3.400     1.500     1.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.15442E-02 ppm1      1.898 ppm2      0.793 CV     1
 OR {  886}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  886}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  887}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 76   and name HD1%)
      3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.16377E-02 ppm1      1.359 ppm2      0.793 CV     1
 OR {  887}
   (( segid "    " and resid 79   and name HG3 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  904}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG3 ))
      2.500     0.800     0.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      2.054 ppm2      2.280 CV     1
 OR {  904}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  905}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.19082E-02 ppm1      1.582 ppm2      2.281 CV     1
 OR {  905}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI {  926}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak   926 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      2.478 ppm2      2.269 CV     1
 OR {  926}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 86   and name HB  ))
 ASSI {  940}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     2.700     3.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.79106E-02 ppm1      2.278 ppm2      3.229 CV     1
 OR {  940}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI {  945}
   (( segid "    " and resid 90   and name HG2 ))
   (  segid "    " and resid 12   and name HD1%)
      3.400     1.400     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.15670E-02 ppm1      2.656 ppm2      1.248 CV     1
 OR {  945}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI {  947}
   (( segid "    " and resid 90   and name HG3 ))
   (  segid "    " and resid 87   and name HG2%)
      3.300     1.300     1.300 peak   947 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      2.483 ppm2      1.289 CV     1
 OR {  947}
   (( segid "    " and resid 90   and name HG3 ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {  949}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.40692E-02 ppm1      2.482 ppm2      1.615 CV     1
 OR {  949}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI {  952}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.42461E-02 ppm1      2.664 ppm2      1.613 CV     1
 OR {  952}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB3 ))
 ASSI {  967}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.25021E-02 ppm1      2.222 ppm2      4.340 CV     1
 OR {  967}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  970}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.600     0.800     0.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.82391E-02 ppm1      2.235 ppm2      1.968 CV     1
 OR {  970}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  971}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB3 ))
      2.200     0.600     0.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.15973E-01 ppm1      2.312 ppm2      2.027 CV     1
 OR {  971}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR {  971}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR {  971}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB3 ))
 ASSI {  972}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.800     0.400     0.400 peak   972 spectrum    1 weight  0.10000E+01 volume  0.39428E-01 ppm1      2.305 ppm2      2.127 CV     1
 OR {  972}
   (( segid "    " and resid 107  and name HG3 ))
   (( segid "    " and resid 107  and name HB2 ))
 OR {  972}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  972}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
 OR {  972}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  972}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI {  973}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 43   and name HG1%)
      2.900     1.100     1.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.71275E-02 ppm1      2.331 ppm2      1.098 CV     1
 OR {  973}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 43   and name HG2%)
 OR {  973}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  983}
   (( segid "    " and resid 32   and name HG3 ))
   (  segid "    " and resid 31   and name HG2%)
      3.300     1.400     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.24491E-02 ppm1      2.350 ppm2      1.280 CV     1
 OR {  983}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 36   and name HG3 ))
 ASSI {  990}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   990 spectrum    1 weight  0.10000E+01 volume  0.13749E-02 ppm1      2.011 ppm2      3.879 CV     1
 OR {  990}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1000}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.200     0.600     0.600 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.80369E-02 ppm1      1.898 ppm2      0.952 CV     1
 OR { 1000}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 1003}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HA  ))
      3.600     1.600     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.72034E-03 ppm1      1.897 ppm2      3.696 CV     1
 OR { 1003}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1004}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HD1%)
      2.100     0.600     0.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.11879E-01 ppm1      1.902 ppm2      0.849 CV     1
 OR { 1004}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1025}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 72   and name HD2%)
      3.600     1.600     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      1.217 ppm2      0.884 CV     1
 OR { 1025}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1043}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 14   and name HA2 ))
      3.100     1.200     1.200 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      3.002 ppm2      4.004 CV     1
 OR { 1043}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1048}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      3.800     1.900     1.900 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.84923E-03 ppm1      2.884 ppm2      1.589 CV     1
 OR { 1048}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 6    and name HG  ))
 ASSI { 1049}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 18   and name HB% )
      4.500     2.600     1.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.31845E-03 ppm1      3.012 ppm2      1.603 CV     1
 OR { 1049}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 39   and name HG  ))
 ASSI { 1054}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.700     2.700     1.300 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.27549E-03 ppm1      3.539 ppm2      0.948 CV     1
 OR { 1054}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 1077}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 62   and name HD1%)
      3.000     1.100     1.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.14558E-02 ppm1      1.248 ppm2      0.551 CV     1
 OR { 1077}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI { 1098}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HB  ))
      2.800     1.000     1.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.23252E-02 ppm1      3.227 ppm2      2.345 CV     1
 OR { 1098}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1099}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 43   and name HB  ))
      3.100     1.200     1.200 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.22949E-02 ppm1      2.086 ppm2      2.339 CV     1
 OR { 1099}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR { 1099}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1104}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HG13))
      2.700     0.900     0.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.19587E-02 ppm1      2.303 ppm2      1.339 CV     1
 OR { 1104}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI { 1125}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 92   and name HB% )
      4.300     2.400     1.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.54087E-03 ppm1      2.703 ppm2      1.643 CV     1
 OR { 1125}
   (( segid "    " and resid 89   and name HB3 ))
   (  segid "    " and resid 92   and name HB% )
 OR { 1125}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 1140}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 91   and name HB% )
      3.700     1.700     1.700 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      2.131 ppm2      1.480 CV     1
 OR { 1140}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 1143}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      3.600     1.600     1.600 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.14937E-02 ppm1      1.276 ppm2      1.480 CV     1
 OR { 1143}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 91   and name HB% )
 ASSI { 1156}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      1.800     0.400     0.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.11550E-01 ppm1      1.733 ppm2      1.556 CV     1
 OR { 1156}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI { 1175}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      2.300     0.700     0.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.10009E-01 ppm1      1.742 ppm2      0.909 CV     1
 OR { 1175}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
 OR { 1175}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 OR { 1175}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1178}
   (( segid "    " and resid 102  and name HE3 ))
   (( segid "    " and resid 102  and name HD2 ))
      1.900     0.400     0.400 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.22898E-01 ppm1      2.906 ppm2      1.460 CV     1
 OR { 1178}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 1178}
   (( segid "    " and resid 102  and name HE3 ))
   (( segid "    " and resid 102  and name HD3 ))
 ASSI { 1184}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 85   and name HA1 ))
      3.100     1.200     1.200 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.25780E-02 ppm1      2.914 ppm2      4.070 CV     1
 OR { 1184}
   (( segid "    " and resid 81   and name HE3 ))
   (( segid "    " and resid 78   and name HA  ))
 OR { 1184}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 85   and name HA1 ))
 OR { 1184}
   (( segid "    " and resid 81   and name HE2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1189}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 85   and name HA2 ))
      2.900     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.46757E-02 ppm1      2.911 ppm2      4.306 CV     1
 OR { 1189}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 85   and name HA2 ))
 OR { 1189}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1189}
   (( segid "    " and resid 81   and name HE3 ))
   (( segid "    " and resid 77   and name HB  ))
 OR { 1189}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1211}
   (( segid "    " and resid 96   and name HE2 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.700     0.900     0.900 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      3.045 ppm2      1.657 CV     1
 OR { 1211}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR { 1211}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR { 1211}
   (( segid "    " and resid 96   and name HE3 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 1212}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HG3 ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.97556E-02 ppm1      3.049 ppm2      1.519 CV     1
 OR { 1212}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HG3 ))
 OR { 1212}
   (( segid "    " and resid 96   and name HE2 ))
   (( segid "    " and resid 96   and name HG3 ))
 OR { 1212}
   (( segid "    " and resid 96   and name HE3 ))
   (( segid "    " and resid 96   and name HG3 ))
 ASSI { 1225}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 55   and name HB3 ))
      2.300     2.300     3.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.14305E-01 ppm1      2.012 ppm2      1.283 CV     1
 OR { 1225}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
 OR { 1225}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 1237}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 35   and name HD2%)
      2.400     0.700     0.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.44482E-02 ppm1      1.473 ppm2      0.899 CV     1
 OR { 1237}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 72   and name HD2%)
 ASSI { 1240}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.800     0.400     0.400 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.93513E-02 ppm1      1.468 ppm2      2.186 CV     1
 OR { 1240}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1242}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD2%)
      3.200     1.300     1.300 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.16605E-02 ppm1      2.176 ppm2      0.899 CV     1
 OR { 1242}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD2%)
 ASSI { 1260}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.300     1.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.60405E-03 ppm1      1.459 ppm2      4.547 CV     1
 OR { 1260}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1262}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.14760E-02 ppm1      2.162 ppm2      4.302 CV     1
 OR { 1262}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1263}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      2.400     2.400     3.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.36394E-01 ppm1      2.178 ppm2      1.026 CV     1
 OR { 1263}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 76   and name HD2%)
 ASSI { 1267}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HG3 ))
      2.500     0.800     0.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.62427E-02 ppm1      3.240 ppm2      1.929 CV     1
 OR { 1267}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HB3 ))
 OR { 1267}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HB3 ))
 ASSI { 1278}
   (( segid "    " and resid 56   and name HD3 ))
   (  segid "    " and resid 58   and name HD1%)
      2.700     2.700     3.300 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.60657E-02 ppm1      3.163 ppm2      0.781 CV     1
 OR { 1278}
   (( segid "    " and resid 56   and name HD3 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1282}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 52   and name HD2%)
      1.900     1.900     4.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.17768E-01 ppm1      3.106 ppm2      0.880 CV     1
 OR { 1282}
   (( segid "    " and resid 56   and name HD2 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1286}
   (( segid "    " and resid 85   and name HA1 ))
   (( segid "    " and resid 54   and name HG2 ))
      4.100     2.100     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.32856E-03 ppm1      4.056 ppm2      1.474 CV     1
 OR { 1286}
   (( segid "    " and resid 85   and name HA1 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1289}
   (( segid "    " and resid 85   and name HA1 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.900     2.900     3.100 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      4.048 ppm2      1.745 CV     1
 OR { 1289}
   (( segid "    " and resid 85   and name HA1 ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI { 1297}
   (( segid "    " and resid 29   and name HA1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.88966E-03 ppm1      3.975 ppm2      2.310 CV     1
 OR { 1297}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1297}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR { 1297}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR { 1297}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 7    and name HG3 ))
 OR { 1297}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HG3 ))
 OR { 1297}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI { 1298}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG  ))
      2.800     1.000     1.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      2.089 ppm2      1.625 CV     1
 OR { 1298}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 1299}
   (( segid "    " and resid 29   and name HA1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     2.700     1.300 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.20245E-03 ppm1      3.980 ppm2      1.766 CV     1
 OR { 1299}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 10   and name HD2 ))
 OR { 1299}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 1299}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI { 1304}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG  ))
      2.800     1.000     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.21104E-02 ppm1      1.347 ppm2      1.628 CV     1
 OR { 1304}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 1307}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.300     1.300 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.15695E-02 ppm1      3.969 ppm2      2.027 CV     1
 OR { 1307}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR { 1307}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR { 1307}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 10   and name HB3 ))
 OR { 1307}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HB3 ))
 OR { 1307}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1307}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1309}
   (( segid "    " and resid 9    and name HA1 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.400     1.500     1.500 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      4.043 ppm2      2.021 CV     1
 OR { 1309}
   (( segid "    " and resid 9    and name HA1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 12   and name HB3 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 10   and name HB3 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA1 ))
   (( segid "    " and resid 10   and name HB3 ))
 OR { 1309}
   (( segid "    " and resid 9    and name HA1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1311}
   (( segid "    " and resid 9    and name HA1 ))
   (  segid "    " and resid 93   and name HG2%)
      2.900     1.100     1.100 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      4.044 ppm2      1.282 CV     1
 OR { 1311}
   (( segid "    " and resid 9    and name HA2 ))
   (  segid "    " and resid 93   and name HG2%)
 OR { 1311}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI { 1312}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HA2 ))
      2.000     0.500     0.500 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.75318E-02 ppm1      3.853 ppm2      3.990 CV     1
 OR { 1312}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI { 1323}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 48   and name HA  ))
      4.500     2.500     1.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.54339E-03 ppm1      3.491 ppm2      4.208 CV     1
 OR { 1323}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1324}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.74814E-02 ppm1      3.799 ppm2      1.617 CV     1
 OR { 1324}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 1326}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB3 ))
      1.800     0.400     0.400 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.28307E-01 ppm1      3.774 ppm2      2.032 CV     1
 OR { 1326}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1326}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1327}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 49   and name HB3 ))
      3.700     1.700     1.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      3.720 ppm2      1.939 CV     1
 OR { 1327}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 1331}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.500     0.800     0.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.42207E-02 ppm1      3.488 ppm2      1.940 CV     1
 OR { 1331}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 1333}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.81887E-03 ppm1      3.718 ppm2      4.445 CV     1
 OR { 1333}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1336}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.200     0.600     0.600 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.76326E-02 ppm1      3.489 ppm2      2.095 CV     1
 OR { 1336}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 1339}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.89214E-03 ppm1      3.488 ppm2      4.441 CV     1
 OR { 1339}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1346}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      4.000     2.000     2.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.77085E-03 ppm1      3.782 ppm2      2.330 CV     1
 OR { 1346}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HB  ))
 OR { 1346}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1350}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.000     1.200     1.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      3.932 ppm2      2.564 CV     1
 OR { 1350}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1356}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB3 ))
      3.900     1.900     1.900 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.85682E-03 ppm1      4.127 ppm2      1.997 CV     1
 OR { 1356}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI { 1360}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG3 ))
      2.500     0.800     0.800 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      4.124 ppm2      2.112 CV     1
 OR { 1360}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
 OR { 1360}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1374}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 30   and name HG13))
      3.900     1.900     1.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.91995E-03 ppm1      4.048 ppm2      1.225 CV     1
 OR { 1374}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 1380}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      2.000     2.000     4.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.15139E-01 ppm1      4.216 ppm2      1.672 CV     1
 OR { 1380}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
 ASSI { 1382}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     2.800     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.35637E-03 ppm1      4.313 ppm2      1.750 CV     1
 OR { 1382}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI { 1392}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.100     1.200     1.200 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      3.928 ppm2      1.529 CV     1
 OR { 1392}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1393}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.70516E-02 ppm1      4.317 ppm2      1.590 CV     1
 OR { 1393}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
 OR { 1393}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 1401}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.800     1.800     1.800 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.16428E-02 ppm1      4.308 ppm2      2.894 CV     1
 OR { 1401}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HE2 ))
 OR { 1401}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HE3 ))
 ASSI { 1402}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.500     1.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.94017E-03 ppm1      4.318 ppm2      2.317 CV     1
 OR { 1402}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
 OR { 1402}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 1403}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.600     0.800     0.800 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.41702E-02 ppm1      4.320 ppm2      1.456 CV     1
 OR { 1403}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1406}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.600     1.700     1.700 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.11474E-02 ppm1      4.312 ppm2      2.049 CV     1
 OR { 1406}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 OR { 1406}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1414}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      2.600     0.800     0.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      3.864 ppm2      0.818 CV     1
 OR { 1414}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1421}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.300     2.400     1.700 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.46251E-03 ppm1      4.459 ppm2      1.913 CV     1
 OR { 1421}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
 OR { 1421}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
 OR { 1421}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI { 1436}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.71275E-02 ppm1      4.329 ppm2      1.981 CV     1
 OR { 1436}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1442}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG2 ))
      2.200     0.600     0.600 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.15316E-01 ppm1      4.338 ppm2      2.337 CV     1
 OR { 1442}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG3 ))
 OR { 1442}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1444}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      3.100     1.200     1.200 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.35637E-02 ppm1      4.220 ppm2      0.972 CV     1
 OR { 1444}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1459}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 35   and name HD2%)
      2.900     1.100     1.100 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      4.103 ppm2      0.880 CV     1
 OR { 1459}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
 OR { 1459}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1460}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      4.095 ppm2      1.573 CV     1
 OR { 1460}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI { 1466}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 30   and name HG13))
      3.000     3.000     3.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      4.480 ppm2      1.199 CV     1
 OR { 1466}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
 OR { 1466}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 1470}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      3.300     3.300     2.700 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.21963E-02 ppm1      4.483 ppm2      0.995 CV     1
 OR { 1470}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1470}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 1471}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      4.429 ppm2      2.114 CV     1
 OR { 1471}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
 OR { 1471}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1475}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      1.700     0.400     0.500 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.68239E-01 ppm1      4.286 ppm2      2.116 CV     1
 OR { 1475}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 1484}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.500     0.800     0.800 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.78347E-02 ppm1      4.284 ppm2      2.312 CV     1
 OR { 1484}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR { 1484}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 OR { 1484}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 1485}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      5.100     3.300     0.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.10969E-03 ppm1      4.292 ppm2      1.318 CV     1
 OR { 1485}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR { 1485}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI { 1495}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG3 ))
      3.500     1.500     1.500 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      3.821 ppm2      1.341 CV     1
 OR { 1495}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI { 1497}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 86   and name HG2%)
      3.500     1.500     1.500 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.15796E-02 ppm1      3.825 ppm2      0.785 CV     1
 OR { 1497}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1497}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1500}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.21634E-02 ppm1      4.633 ppm2      2.002 CV     1
 OR { 1500}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR { 1500}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI { 1501}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      3.400     1.500     1.500 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.17136E-02 ppm1      4.548 ppm2      1.288 CV     1
 OR { 1501}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1505}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      4.700     2.700     1.300 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.40438E-03 ppm1      4.640 ppm2      0.772 CV     1
 OR { 1505}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI { 1508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.95031E-03 ppm1      4.540 ppm2      2.148 CV     1
 OR { 1508}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 1511}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 30   and name HD1%)
      2.900     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      4.001 ppm2      0.835 CV     1
 OR { 1511}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
 ASSI { 1520}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 78   and name HB% )
      4.000     2.000     2.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.85426E-03 ppm1      3.713 ppm2      1.476 CV     1
 OR { 1520}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
 ASSI { 1524}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.000     1.100     1.100 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.29065E-02 ppm1      3.715 ppm2      1.887 CV     1
 OR { 1524}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
 ASSI { 1535}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      3.400     1.400     1.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.24389E-02 ppm1      3.572 ppm2      0.634 CV     1
 OR { 1535}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD2%)
 ASSI { 1536}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.900     0.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      3.570 ppm2      1.865 CV     1
 OR { 1536}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG  ))
 ASSI { 1537}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.22822E-02 ppm1      3.571 ppm2      0.921 CV     1
 OR { 1537}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1537}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 1540}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.700     2.700     3.300 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.44988E-02 ppm1      3.905 ppm2      0.932 CV     1
 OR { 1540}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 1541}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      3.100     1.200     1.200 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.15468E-02 ppm1      3.905 ppm2      0.567 CV     1
 OR { 1541}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 1544}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HG13))
      3.500     1.500     1.500 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      3.901 ppm2      0.800 CV     1
 OR { 1544}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1545}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     1.000     1.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      3.909 ppm2      1.225 CV     1
 OR { 1545}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
 ASSI { 1555}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
      3.600     1.600     1.600 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.13446E-02 ppm1      4.062 ppm2      0.827 CV     1
 OR { 1555}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 30   and name HD1%)
 ASSI { 1558}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      2.000     2.000     4.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.74304E-01 ppm1      4.090 ppm2      1.236 CV     1
 OR { 1558}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
 OR { 1558}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI { 1559}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.000     0.500     0.500 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.14861E-01 ppm1      4.099 ppm2      1.585 CV     1
 OR { 1559}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
 OR { 1559}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
 ASSI { 1560}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.36394E-02 ppm1      4.097 ppm2      2.480 CV     1
 OR { 1560}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG3 ))
 ASSI { 1561}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.400     0.700     0.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.64449E-02 ppm1      4.099 ppm2      1.994 CV     1
 OR { 1561}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI { 1563}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.64701E-02 ppm1      4.101 ppm2      2.276 CV     1
 OR { 1563}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI { 1574}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.600     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.15190E-02 ppm1      3.939 ppm2      1.280 CV     1
 OR { 1574}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 1590}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HB% )
      2.800     1.000     1.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.43724E-02 ppm1      3.999 ppm2      1.421 CV     1
 OR { 1590}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
 OR { 1590}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
 OR { 1590}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
 ASSI { 1592}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      4.025 ppm2      1.690 CV     1
 OR { 1592}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB3 ))
 OR { 1592}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1593}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HD2 ))
      3.200     1.200     1.200 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      4.026 ppm2      1.790 CV     1
 OR { 1593}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HD3 ))
 OR { 1593}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 1594}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HA  ))
      3.700     1.700     1.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.94527E-03 ppm1      4.029 ppm2      4.371 CV     1
 OR { 1594}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1600}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 102  and name HE3 ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.18349E-01 ppm1      4.348 ppm2      2.909 CV     1
 OR { 1600}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 1603}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      5.000     3.200     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.80624E-04 ppm1      4.545 ppm2      3.392 CV     1
 OR { 1603}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI { 1606}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 102  and name HD3 ))
      4.900     3.100     1.100 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.14204E-03 ppm1      4.361 ppm2      1.416 CV     1
 OR { 1606}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 102  and name HD2 ))
 OR { 1606}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
 ASSI { 1607}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
      2.900     1.000     1.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.26032E-02 ppm1      4.282 ppm2      3.880 CV     1
 OR { 1607}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
 OR { 1607}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 1607}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1609}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      5.000     3.200     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.10666E-03 ppm1      3.753 ppm2      0.604 CV     1
 OR { 1609}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
 ASSI { 1614}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     5.100     0.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.23530E-04 ppm1      3.749 ppm2      0.773 CV     1
 OR { 1614}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1617}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.400     2.400     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.17515E-03 ppm1      3.754 ppm2      1.547 CV     1
 OR { 1617}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI { 1619}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.79865E-04 ppm1      4.544 ppm2      1.466 CV     1
 OR { 1619}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 102  and name HD2 ))
 ASSI { 1621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.400     3.700     0.600 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.11727E-03 ppm1      2.766 ppm2      2.095 CV     1
 OR { 1621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR { 1621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
 OR { 1621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 OR { 1621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1631}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.18576E-03 ppm1      4.547 ppm2      2.191 CV     1
 OR { 1631}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 1638}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.000     1.200     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.28560E-02 ppm1      4.240 ppm2      1.923 CV     1
 OR { 1638}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
 OR { 1638}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 OR { 1638}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 1638}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1638}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1642}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      3.000     3.000     3.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      4.240 ppm2      0.889 CV     1
 OR { 1642}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1645}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.900     1.900     1.900 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.74055E-03 ppm1      4.242 ppm2      1.510 CV     1
 OR { 1645}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR { 1645}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1646}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 53   and name HB% )
      3.700     1.700     1.700 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.87193E-03 ppm1      4.231 ppm2      1.413 CV     1
 OR { 1646}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 1646}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 1647}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HG3 ))
      2.600     2.600     3.400 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.59647E-02 ppm1      4.227 ppm2      1.277 CV     1
 OR { 1647}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
 OR { 1647}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
 OR { 1647}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI { 1651}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      2.700     2.700     3.300 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.91236E-02 ppm1      4.373 ppm2      1.681 CV     1
 OR { 1651}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 1657}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HD2 ))
      4.600     2.600     1.400 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.38669E-03 ppm1      4.379 ppm2      1.765 CV     1
 OR { 1657}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HD3 ))
 OR { 1657}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
 OR { 1657}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1664}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.100     0.500     0.500 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.16706E-01 ppm1      3.772 ppm2      3.956 CV     1
 OR { 1664}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1664}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI { 1674}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      4.500     2.600     1.500 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.62427E-03 ppm1      4.113 ppm2      2.015 CV     1
 OR { 1674}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 94   and name HG13))
 OR { 1674}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1678}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
      4.600     2.700     1.400 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.21003E-03 ppm1      4.032 ppm2      2.050 CV     1
 OR { 1678}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1678}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR { 1678}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1678}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR { 1678}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 96   and name HB2 ))
 OR { 1678}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 96   and name HB3 ))
 OR { 1678}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI { 1687}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.32098E-03 ppm1      3.968 ppm2      1.763 CV     1
 OR { 1687}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 1687}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 1687}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
 OR { 1687}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1690}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
      3.700     1.700     1.700 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.87448E-03 ppm1      3.962 ppm2      1.433 CV     1
 OR { 1690}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 63   and name HB% )
 OR { 1690}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 63   and name HB% )
 OR { 1690}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR { 1690}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
 OR { 1690}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 1691}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.81128E-03 ppm1      3.962 ppm2      1.543 CV     1
 OR { 1691}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1691}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 34   and name HG  ))
 OR { 1691}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI { 1695}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 16   and name HB3 ))
      3.200     3.200     2.800 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      3.360 ppm2      1.268 CV     1
 OR { 1695}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR { 1695}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1708}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.12409E-02 ppm1      3.875 ppm2      0.788 CV     1
 OR { 1708}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HG13))
 ASSI { 1712}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     3.300     2.700 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      3.875 ppm2      1.278 CV     1
 OR { 1712}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1732}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.23581E-02 ppm1      4.314 ppm2      2.049 CV     1
 OR { 1732}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 1735}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.800     1.000     1.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.47010E-02 ppm1      4.315 ppm2      3.857 CV     1
 OR { 1735}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HA1 ))
 ASSI { 1738}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      3.600     1.600     1.600 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      3.745 ppm2      1.654 CV     1
 OR { 1738}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 92   and name HB% )
 ASSI { 1755}
   (( segid "    " and resid 77   and name HB  ))
   (  segid "    " and resid 74   and name HB% )
      3.400     1.500     1.500 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.69253E-03 ppm1      4.298 ppm2      1.588 CV     1
 OR { 1755}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 1764}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.23808E-02 ppm1      4.306 ppm2      3.873 CV     1
 OR { 1764}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {   37}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      4.800     2.900     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23634E-03 ppm1      8.118 ppm2      1.616 CV     1
 OR {   37}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
 OR {   37}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
 ASSI {   38}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.60187E-03 ppm1      8.113 ppm2      4.481 CV     1
 OR {   38}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 OR {   38}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   39}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.900     1.900     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      8.112 ppm2      1.982 CV     1
 OR {   39}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {   39}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   42}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      2.400     0.700     0.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.54200E-02 ppm1      8.112 ppm2      3.989 CV     1
 OR {   42}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {   43}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.20104E-02 ppm1      8.111 ppm2      4.089 CV     1
 OR {   43}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {   64}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.800     1.800     1.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.52625E-03 ppm1      8.472 ppm2      2.027 CV     1
 OR {   64}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {   67}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.700     2.700     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.37184E-03 ppm1      8.516 ppm2      2.005 CV     1
 OR {   67}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
 OR {   67}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {   68}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.100     2.100     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.60187E-03 ppm1      8.522 ppm2      1.276 CV     1
 OR {   68}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI {   79}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.26659E-02 ppm1      8.304 ppm2      2.113 CV     1
 OR {   79}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {   79}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {   86}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.000     2.000     2.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.59872E-03 ppm1      8.310 ppm2      0.908 CV     1
 OR {   86}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {   86}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
 ASSI {   89}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.14306E-03 ppm1      7.305 ppm2      3.966 CV     1
 OR {   89}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 37   and name HB3 ))
 OR {   89}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 29   and name HA2 ))
 OR {   89}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  104}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      4.700     2.800     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.19222E-03 ppm1      7.465 ppm2      4.236 CV     1
 OR {  104}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  106}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 32   and name HB3 ))
      4.200     2.200     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.44116E-03 ppm1      6.857 ppm2      2.172 CV     1
 OR {  106}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  108}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      4.100     2.100     1.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      7.795 ppm2      1.762 CV     1
 OR {  108}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  109}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.25493E-02 ppm1      7.786 ppm2      4.300 CV     1
 OR {  109}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
 ASSI {  114}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      3.800     1.800     1.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.10273E-02 ppm1      7.783 ppm2      1.487 CV     1
 OR {  114}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 OR {  114}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
 OR {  114}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HG3 ))
 ASSI {  116}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.28171E-02 ppm1      7.782 ppm2      3.837 CV     1
 OR {  116}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      3.500     1.600     1.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.17332E-02 ppm1      7.783 ppm2      1.307 CV     1
 OR {  119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
 OR {  119}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HB3 ))
 ASSI {  125}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.600     1.600     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.69958E-03 ppm1      7.757 ppm2      4.366 CV     1
 OR {  125}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.400     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.60502E-02 ppm1      7.655 ppm2      7.829 CV     1
 OR {  130}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  132}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      3.500     1.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.91068E-03 ppm1      7.655 ppm2      0.843 CV     1
 OR {  132}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI {  140}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      3.600     1.600     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.79724E-03 ppm1      7.659 ppm2      1.855 CV     1
 OR {  140}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  146}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.400     2.400     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.17647E-03 ppm1      7.316 ppm2      1.728 CV     1
 OR {  146}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  160}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      4.500     2.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.28550E-03 ppm1      7.323 ppm2      1.441 CV     1
 OR {  160}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
 ASSI {  186}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 94   and name HB  ))
      2.900     1.100     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.22468E-02 ppm1      6.170 ppm2      1.903 CV     1
 OR {  186}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI {  187}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 55   and name HG3 ))
      2.900     2.900     3.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.39075E-02 ppm1      6.169 ppm2      1.744 CV     1
 OR {  187}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  188}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.55776E-03 ppm1      6.171 ppm2      0.761 CV     1
 OR {  188}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  189}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG2 ))
      3.400     1.400     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      6.878 ppm2      1.891 CV     1
 OR {  189}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 94   and name HB  ))
 ASSI {  191}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG3 ))
      3.000     1.100     1.100 peak   191 spectrum    1 weight  0.10000E+01 volume  0.17615E-02 ppm1      6.172 ppm2      1.359 CV     1
 OR {  191}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 86   and name HG13))
 ASSI {  192}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 91   and name HB% )
      3.500     1.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.13424E-02 ppm1      6.170 ppm2      1.492 CV     1
 OR {  192}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  207}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG3 ))
      3.900     1.900     1.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      6.873 ppm2      1.356 CV     1
 OR {  207}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 86   and name HG13))
 ASSI {  209}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 91   and name HB% )
      4.200     2.200     1.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.59557E-03 ppm1      6.879 ppm2      1.483 CV     1
 OR {  209}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  212}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.900     2.900     3.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.12415E-02 ppm1      8.674 ppm2      1.231 CV     1
 OR {  212}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
 OR {  212}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
 ASSI {  217}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.84452E-03 ppm1      8.232 ppm2      1.633 CV     1
 OR {  217}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
 OR {  217}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
 ASSI {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.10840E-02 ppm1      7.820 ppm2      1.853 CV     1
 OR {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
 ASSI {  258}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.500     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.73740E-02 ppm1      9.759 ppm2      2.096 CV     1
 OR {  258}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  258}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 OR {  258}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  259}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.700     1.700     1.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      9.758 ppm2      2.302 CV     1
 OR {  259}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  263}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      3.900     1.900     1.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.15976E-02 ppm1      9.759 ppm2      1.997 CV     1
 OR {  263}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  264}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24359E-02 ppm1      7.821 ppm2      0.966 CV     1
 OR {  264}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
 OR {  264}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI {  270}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HE22))
      4.600     2.600     1.400 peak   270 spectrum    1 weight  0.10000E+01 volume  0.39705E-03 ppm1      7.894 ppm2      6.876 CV     1
 OR {  270}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
 ASSI {  273}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      4.400     2.400     1.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.51049E-03 ppm1      7.883 ppm2      4.289 CV     1
 OR {  273}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
 ASSI {  277}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.700     1.700     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.81934E-03 ppm1      7.887 ppm2      0.780 CV     1
 OR {  277}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  281}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.46638E-02 ppm1      7.883 ppm2      7.767 CV     1
 OR {  281}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  282}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.300     1.400     1.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      7.884 ppm2      1.230 CV     1
 OR {  282}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
 ASSI {  289}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.200     2.200     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.51049E-03 ppm1      8.438 ppm2      3.034 CV     1
 OR {  289}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HE2 ))
 OR {  289}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HE3 ))
 ASSI {  290}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HD% )
      3.300     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.20892E-02 ppm1      8.441 ppm2      7.351 CV     1
 OR {  290}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 97   and name HD% )
 ASSI {  293}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.400     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      7.506 ppm2      0.903 CV     1
 OR {  293}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {  293}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
 ASSI {  298}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.000     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14338E-02 ppm1      7.493 ppm2      1.264 CV     1
 OR {  298}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG13))
 ASSI {  299}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 97   and name HE% )
      3.100     3.100     2.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.84768E-03 ppm1      8.436 ppm2      7.227 CV     1
 OR {  299}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 97   and name HE% )
 ASSI {  301}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.61763E-02 ppm1      8.443 ppm2      3.400 CV     1
 OR {  301}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
 OR {  301}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI {  303}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      4.400     2.400     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.31386E-03 ppm1      8.437 ppm2      0.859 CV     1
 OR {  303}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 102  and name HG2 ))
 OR {  303}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI {  312}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.76890E-03 ppm1      8.444 ppm2      1.215 CV     1
 OR {  312}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI {  316}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.500     1.600     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.74371E-03 ppm1      8.447 ppm2      4.349 CV     1
 OR {  316}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  323}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.24768E-02 ppm1      8.446 ppm2      3.842 CV     1
 OR {  323}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.91384E-03 ppm1      7.951 ppm2      3.990 CV     1
 OR {  326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
 OR {  326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {  327}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
      2.900     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.25966E-02 ppm1      7.954 ppm2      1.617 CV     1
 OR {  327}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
 ASSI {  328}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.64914E-02 ppm1      7.955 ppm2      2.086 CV     1
 OR {  328}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  332}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.400     1.400     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.68696E-03 ppm1      7.951 ppm2      2.371 CV     1
 OR {  332}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
 OR {  332}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  338}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.800     1.800     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.92331E-03 ppm1      7.719 ppm2      1.625 CV     1
 OR {  338}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
 ASSI {  344}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.900     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.26407E-02 ppm1      7.718 ppm2      3.971 CV     1
 OR {  344}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  344}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  349}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.300     1.300     1.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      7.721 ppm2      0.937 CV     1
 OR {  349}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {  349}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI {  358}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      8.365 ppm2      2.292 CV     1
 OR {  358}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI {  359}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.32772E-02 ppm1      8.363 ppm2      2.133 CV     1
 OR {  359}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {  361}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.79408E-03 ppm1      8.369 ppm2      2.470 CV     1
 OR {  361}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  362}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.11659E-02 ppm1      8.361 ppm2      4.513 CV     1
 OR {  362}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
 ASSI {  363}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     6.000     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.22909E-04 ppm1      8.470 ppm2      2.118 CV     1
 OR {  363}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 OR {  363}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  368}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
      3.500     1.500     1.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.15283E-02 ppm1      8.360 ppm2      0.890 CV     1
 OR {  368}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {  368}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI {  372}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.200     2.300     1.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.80987E-03 ppm1      8.098 ppm2      2.316 CV     1
 OR {  372}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  376}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28423E-02 ppm1      8.093 ppm2      2.984 CV     1
 OR {  376}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 OR {  376}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HE3 ))
 ASSI {  378}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      8.094 ppm2      1.923 CV     1
 OR {  378}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  378}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  381}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      8.092 ppm2      4.200 CV     1
 OR {  381}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  385}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
      3.700     1.700     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.84768E-03 ppm1      8.093 ppm2      3.210 CV     1
 OR {  385}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.900     1.900     1.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.474 ppm2      0.882 CV     1
 OR {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
 OR {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  390}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.56721E-02 ppm1      9.015 ppm2      1.935 CV     1
 OR {  390}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  390}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  416}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.300     0.700     0.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.75627E-02 ppm1      8.071 ppm2      3.973 CV     1
 OR {  416}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  423}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      4.400     2.400     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.42856E-03 ppm1      8.071 ppm2      0.546 CV     1
 OR {  423}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  430}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.34348E-02 ppm1      7.562 ppm2      2.104 CV     1
 OR {  430}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 OR {  430}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR {  430}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  431}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      3.300     1.300     1.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.16512E-02 ppm1      8.071 ppm2      1.432 CV     1
 OR {  431}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  431}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HG12))
 ASSI {  433}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.40020E-02 ppm1      8.070 ppm2      3.900 CV     1
 OR {  433}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  437}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      1.900     0.500     0.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.24201E-01 ppm1      7.546 ppm2      1.985 CV     1
 OR {  437}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 OR {  437}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  441}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.600     1.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      7.551 ppm2      8.092 CV     1
 OR {  441}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  452}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.49788E-02 ppm1      8.303 ppm2      8.052 CV     1
 OR {  452}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  453}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      8.305 ppm2      3.868 CV     1
 OR {  453}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  456}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   456 spectrum    1 weight  0.10000E+01 volume  0.81302E-03 ppm1      8.066 ppm2      0.917 CV     1
 OR {  456}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
 OR {  456}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
 ASSI {  459}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.19758E-02 ppm1      7.836 ppm2      0.878 CV     1
 OR {  459}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
 ASSI {  471}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.300     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.27730E-02 ppm1      7.888 ppm2      1.282 CV     1
 OR {  471}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  476}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.500     3.500     2.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      7.888 ppm2      0.583 CV     1
 OR {  476}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  489}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      3.700     1.800     1.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      8.608 ppm2      0.928 CV     1
 OR {  489}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  517}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.500     0.800     0.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.49158E-02 ppm1      7.024 ppm2      4.306 CV     1
 OR {  517}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  518}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.60187E-02 ppm1      7.025 ppm2      1.738 CV     1
 OR {  518}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
 ASSI {  525}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 105  and name HD1%)
      3.100     1.200     1.200 peak   525 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      7.813 ppm2      0.848 CV     1
 OR {  525}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI {  537}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.27005E-02 ppm1      8.195 ppm2      2.079 CV     1
 OR {  537}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
 ASSI {  544}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.87602E-03 ppm1      8.198 ppm2      3.989 CV     1
 OR {  544}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
 ASSI {  547}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
      3.800     1.800     1.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.82874E-03 ppm1      8.199 ppm2      1.615 CV     1
 OR {  547}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
 OR {  547}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  550}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      4.300     2.300     1.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.35924E-03 ppm1      7.827 ppm2      3.399 CV     1
 OR {  550}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI {  551}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG3 ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.82243E-03 ppm1      7.830 ppm2      1.032 CV     1
 OR {  551}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
 ASSI {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.900     1.900     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.61133E-03 ppm1      7.693 ppm2      1.755 CV     1
 OR {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  561}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.200     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11187E-02 ppm1      7.826 ppm2      3.733 CV     1
 OR {  561}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI {  563}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.600     1.600     1.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.81618E-03 ppm1      7.823 ppm2      8.437 CV     1
 OR {  563}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
 OR {  563}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI {  566}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   566 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      7.827 ppm2      4.228 CV     1
 OR {  566}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI {  567}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      7.827 ppm2      4.027 CV     1
 OR {  567}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB3 ))
 OR {  567}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
 ASSI {  573}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.59557E-02 ppm1      7.699 ppm2      3.928 CV     1
 OR {  573}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  577}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.84137E-03 ppm1      9.084 ppm2      7.775 CV     1
 OR {  577}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  580}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.000     1.100     1.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.29054E-02 ppm1      9.086 ppm2      1.476 CV     1
 OR {  580}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HB% )
 ASSI {  587}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.14275E-02 ppm1      9.083 ppm2      4.295 CV     1
 OR {  587}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI {  589}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.39075E-02 ppm1      9.084 ppm2      8.581 CV     1
 OR {  589}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  591}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     2.900     3.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.12888E-02 ppm1      8.029 ppm2      4.201 CV     1
 OR {  591}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  593}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.32772E-02 ppm1      8.033 ppm2      3.893 CV     1
 OR {  593}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  601}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.400     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17615E-02 ppm1      7.712 ppm2      1.300 CV     1
 OR {  601}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI {  613}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG3 ))
      3.200     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.20231E-02 ppm1      8.801 ppm2      1.667 CV     1
 OR {  613}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  616}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.24327E-02 ppm1      8.801 ppm2      7.881 CV     1
 OR {  616}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  620}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.600     1.700     1.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.11250E-02 ppm1      8.799 ppm2      0.589 CV     1
 OR {  620}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  630}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG3 ))
      4.800     2.900     1.200 peak   630 spectrum    1 weight  0.10000E+01 volume  0.12037E-03 ppm1      7.281 ppm2      1.472 CV     1
 OR {  630}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  633}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.000     1.100     1.100 peak   633 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      7.283 ppm2      1.719 CV     1
 OR {  633}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HD2 ))
 OR {  633}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  635}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.39705E-02 ppm1      7.283 ppm2      4.313 CV     1
 OR {  635}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  648}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HG13))
      3.200     1.200     1.200 peak   648 spectrum    1 weight  0.10000E+01 volume  0.30693E-02 ppm1      7.580 ppm2      1.954 CV     1
 OR {  648}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  650}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.700     1.700     1.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.89181E-03 ppm1      7.584 ppm2      8.682 CV     1
 OR {  650}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI {  668}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   668 spectrum    1 weight  0.10000E+01 volume  0.28959E-02 ppm1      8.306 ppm2      2.154 CV     1
 OR {  668}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  672}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      8.186 ppm2      3.960 CV     1
 OR {  672}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
 OR {  672}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  673}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.27605E-02 ppm1      8.313 ppm2      3.975 CV     1
 OR {  673}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
 OR {  673}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  678}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.65859E-03 ppm1      7.839 ppm2      8.432 CV     1
 OR {  678}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI {  681}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 93   and name HG1%)
      5.100     3.300     0.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.19254E-03 ppm1      7.838 ppm2      1.026 CV     1
 OR {  681}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
 ASSI {  682}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      6.000     6.000     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.60818E-06 ppm1      7.837 ppm2      3.999 CV     1
 OR {  682}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
 OR {  682}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 OR {  682}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  697}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      3.300     1.300     1.300 peak   697 spectrum    1 weight  0.10000E+01 volume  0.17741E-02 ppm1      8.406 ppm2      3.242 CV     1
 OR {  697}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI {  702}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.40335E-03 ppm1      8.407 ppm2      4.108 CV     1
 OR {  702}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  713}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      3.700     1.700     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.50419E-03 ppm1      8.260 ppm2      1.428 CV     1
 OR {  713}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  734}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.500     1.500 peak   734 spectrum    1 weight  0.10000E+01 volume  0.16166E-02 ppm1      7.841 ppm2      4.230 CV     1
 OR {  734}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  736}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.200     1.300     1.300 peak   736 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      8.303 ppm2      1.944 CV     1
 OR {  736}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
 OR {  736}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  736}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  746}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      8.304 ppm2      1.390 CV     1
 OR {  746}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 53   and name HB% )
 ASSI {  755}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      4.100     2.100     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.96112E-03 ppm1      8.566 ppm2      0.978 CV     1
 OR {  755}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  760}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak   760 spectrum    1 weight  0.10000E+01 volume  0.81934E-03 ppm1      8.569 ppm2      4.023 CV     1
 OR {  760}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  775}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.000     2.000     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.49788E-03 ppm1      8.699 ppm2      8.440 CV     1
 OR {  775}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  792}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.40650E-03 ppm1      8.824 ppm2      8.411 CV     1
 OR {  792}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  798}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      4.000     2.000     2.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.99894E-03 ppm1      8.692 ppm2      0.798 CV     1
 OR {  798}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  798}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  801}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.90437E-03 ppm1      8.822 ppm2      4.094 CV     1
 OR {  801}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  803}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      7.889 ppm2      3.889 CV     1
 OR {  803}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
 OR {  803}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  814}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 72   and name HD2%)
      2.300     2.300     3.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.13172E-01 ppm1      7.622 ppm2      0.878 CV     1
 OR {  814}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  819}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG12))
      3.300     1.300     1.300 peak   819 spectrum    1 weight  0.10000E+01 volume  0.33402E-02 ppm1      7.620 ppm2      1.434 CV     1
 OR {  819}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HB% )
 ASSI {  837}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
      4.000     2.000     2.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.80987E-03 ppm1      8.610 ppm2      1.228 CV     1
 OR {  837}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
 ASSI {  847}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.800     1.800     1.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      7.832 ppm2      0.874 CV     1
 OR {  847}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 35   and name HD1%)
 ASSI {  853}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      4.500     2.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.13266E-03 ppm1      8.560 ppm2      1.280 CV     1
 OR {  853}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
 OR {  853}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  853}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI {  854}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.73424E-02 ppm1      8.448 ppm2      4.306 CV     1
 OR {  854}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  855}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.300     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.16764E-02 ppm1      8.447 ppm2      1.458 CV     1
 OR {  855}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
 ASSI {  858}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak   858 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      8.447 ppm2      1.591 CV     1
 OR {  858}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
 OR {  858}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI {  859}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.700     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.67433E-02 ppm1      8.447 ppm2      2.027 CV     1
 OR {  859}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 OR {  859}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  865}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.24012E-02 ppm1      8.549 ppm2      4.218 CV     1
 OR {  865}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  869}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak   869 spectrum    1 weight  0.10000E+01 volume  0.29464E-02 ppm1      8.547 ppm2      2.094 CV     1
 OR {  869}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
 OR {  869}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  870}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.70899E-03 ppm1      8.551 ppm2      2.300 CV     1
 OR {  870}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI {  871}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      4.500     2.600     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.33718E-03 ppm1      7.839 ppm2      1.222 CV     1
 OR {  871}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  872}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.85084E-03 ppm1      8.258 ppm2      2.292 CV     1
 OR {  872}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  872}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  876}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.000     1.100     1.100 peak   876 spectrum    1 weight  0.10000E+01 volume  0.19916E-02 ppm1      6.911 ppm2      3.960 CV     1
 OR {  876}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  876}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  877}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      3.500     1.500     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.45692E-03 ppm1      8.256 ppm2      3.985 CV     1
 OR {  877}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
 OR {  877}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
 ASSI {  878}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.300     1.300     1.300 peak   878 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      8.547 ppm2      1.968 CV     1
 OR {  878}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 OR {  878}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  881}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.59242E-02 ppm1      8.259 ppm2      4.294 CV     1
 OR {  881}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  885}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     2.800     3.200 peak   885 spectrum    1 weight  0.10000E+01 volume  0.34663E-02 ppm1      8.258 ppm2      2.073 CV     1
 OR {  885}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
 ASSI {  887}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.34978E-02 ppm1      8.437 ppm2      0.679 CV     1
 OR {  887}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 OR {  887}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  888}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG13))
      2.400     0.700     0.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.31512E-02 ppm1      8.435 ppm2      1.979 CV     1
 OR {  888}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  893}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      3.600     1.600     1.600 peak   893 spectrum    1 weight  0.10000E+01 volume  0.14874E-02 ppm1      8.432 ppm2      0.826 CV     1
 OR {  893}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI {  904}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      4.500     2.600     1.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.40650E-03 ppm1      8.491 ppm2      1.614 CV     1
 OR {  904}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  906}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      3.300     1.400     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.22436E-02 ppm1      8.438 ppm2      1.276 CV     1
 OR {  906}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI {  907}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.400     0.700     0.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.92015E-02 ppm1      8.449 ppm2      4.018 CV     1
 OR {  907}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {  907}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HB3 ))
 ASSI {  910}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      4.100     2.100     1.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.89497E-03 ppm1      8.449 ppm2      4.135 CV     1
 OR {  910}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  944}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      3.800     1.900     1.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.75943E-03 ppm1      7.771 ppm2      1.551 CV     1
 OR {  944}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
 ASSI {  946}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
      3.700     1.700     1.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.12258E-02 ppm1      8.797 ppm2      0.904 CV     1
 OR {  946}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI {  957}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      2.600     0.900     0.900 peak   957 spectrum    1 weight  0.10000E+01 volume  0.39075E-02 ppm1      7.808 ppm2      2.165 CV     1
 OR {  957}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR {  957}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  962}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.28550E-02 ppm1      7.807 ppm2      8.797 CV     1
 OR {  962}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  964}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.600     1.600     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.20136E-02 ppm1      9.148 ppm2      3.854 CV     1
 OR {  964}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  966}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.600     1.600     1.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.14180E-02 ppm1      7.783 ppm2      0.899 CV     1
 OR {  966}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {  966}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HD2%)
 ASSI {  968}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.600     1.600     1.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      9.151 ppm2      7.804 CV     1
 OR {  968}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  972}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.71214E-02 ppm1      9.153 ppm2      3.396 CV     1
 OR {  972}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
 OR {  972}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI {  976}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.700     3.700     2.300 peak   976 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      9.152 ppm2      1.218 CV     1
 OR {  976}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI {  977}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.25997E-02 ppm1      9.153 ppm2      4.347 CV     1
 OR {  977}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  978}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      2.400     2.400     3.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      9.151 ppm2      0.943 CV     1
 OR {  978}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  980}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.300     3.300     2.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.71530E-03 ppm1      9.152 ppm2      4.223 CV     1
 OR {  980}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI {  989}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.800     1.800     1.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.68380E-03 ppm1      8.415 ppm2      7.938 CV     1
 OR {  989}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI {  991}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.41596E-02 ppm1      8.415 ppm2      4.354 CV     1
 OR {  991}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI { 1009}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.400     1.400     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.11659E-02 ppm1      9.089 ppm2      3.268 CV     1
 OR { 1009}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI { 1013}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      3.100     1.200     1.200 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.42856E-02 ppm1      7.873 ppm2      1.784 CV     1
 OR { 1013}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1018}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.15157E-02 ppm1      7.871 ppm2      0.962 CV     1
 OR { 1018}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI { 1019}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.57352E-02 ppm1      7.872 ppm2      3.877 CV     1
 OR { 1019}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 1023}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.900     2.900     3.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      8.197 ppm2      4.212 CV     1
 OR { 1023}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 1024}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      4.200     2.200     1.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.44747E-03 ppm1      7.869 ppm2      1.422 CV     1
 OR { 1024}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
 OR { 1024}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 62   and name HG12))
 ASSI { 1027}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.400     0.700     0.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.51049E-02 ppm1      8.195 ppm2      1.822 CV     1
 OR { 1027}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 1033}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.800     1.000     1.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.31197E-02 ppm1      8.567 ppm2      1.427 CV     1
 OR { 1033}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 1040}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.58612E-03 ppm1      7.748 ppm2      1.757 CV     1
 OR { 1040}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1046}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.900     1.900     1.900 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.83505E-03 ppm1      7.748 ppm2      2.123 CV     1
 OR { 1046}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1057}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.44116E-02 ppm1      8.110 ppm2      2.325 CV     1
 OR { 1057}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
 ASSI { 1060}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.28613E-02 ppm1      8.111 ppm2      4.341 CV     1
 OR { 1060}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
      4.300     2.300     1.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.65229E-03 ppm1      8.728 ppm2      1.860 CV     1
 OR { 1068}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1074}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      3.200     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.21554E-02 ppm1      8.725 ppm2      0.963 CV     1
 OR { 1074}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 1078}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.300     2.300     1.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.22311E-03 ppm1      8.723 ppm2      7.831 CV     1
 OR { 1078}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {    4}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.46916E-03 ppm1      7.141 ppm2      0.820 CV     1
 OR {    4}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 ASSI {    5}
   (  segid "    " and resid 97   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
      3.900     1.900     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.37711E-03 ppm1      7.195 ppm2      0.883 CV     1
 OR {    5}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 30   and name HG2%)
 ASSI {    7}
   (( segid "    " and resid 98   and name HD1 ))
   (  segid "    " and resid 72   and name HD2%)
      2.400     2.400     3.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.27289E-02 ppm1      7.050 ppm2      0.911 CV     1
 OR {    7}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 15   and name HD2%)
 ASSI {    8}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 94   and name HG2%)
      3.200     1.300     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.25181E-02 ppm1      6.880 ppm2      0.922 CV     1
 OR {    8}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 72   and name HD2%)
 ASSI {   11}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 15   and name HD2%)
      2.200     0.600     0.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11135E-01 ppm1      6.996 ppm2      0.955 CV     1
 OR {   11}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 39   and name HD1%)
 ASSI {   19}
   (( segid "    " and resid 98   and name HZ3 ))
   (  segid "    " and resid 103  and name HG2%)
      2.900     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.24616E-02 ppm1      7.347 ppm2      1.245 CV     1
 OR {   19}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 72   and name HG  ))
 OR {   19}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 102  and name HB3 ))
 OR {   19}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 102  and name HB3 ))
 ASSI {   20}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HB2 ))
      2.800     2.800     3.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.31475E-02 ppm1      7.138 ppm2      1.253 CV     1
 OR {   20}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 72   and name HG  ))
 ASSI {   23}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
      2.800     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.29515E-02 ppm1      7.319 ppm2      1.441 CV     1
 OR {   23}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 99   and name HG2 ))
 OR {   23}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {   24}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
      2.700     2.700     3.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.36523E-02 ppm1      7.154 ppm2      1.446 CV     1
 OR {   24}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 91   and name HB% )
 ASSI {   25}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
      4.100     2.100     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.23518E-03 ppm1      7.366 ppm2      1.450 CV     1
 OR {   25}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 102  and name HD3 ))
 OR {   25}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 102  and name HD2 ))
 OR {   25}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {   27}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
      3.200     1.200     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10571E-02 ppm1      7.336 ppm2      1.504 CV     1
 OR {   27}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI {   28}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 30   and name HG12))
      3.000     3.000     3.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.20637E-02 ppm1      7.206 ppm2      1.571 CV     1
 OR {   28}
   (  segid "    " and resid 97   and name HE% )
   (( segid "    " and resid 96   and name HG3 ))
 OR {   28}
   (  segid "    " and resid 97   and name HE% )
   (  segid "    " and resid 74   and name HB% )
 ASSI {   29}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      3.200     1.300     1.300 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11789E-02 ppm1      6.773 ppm2      1.599 CV     1
 OR {   29}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HG  ))
 ASSI {   30}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 11   and name HB3 ))
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.97691E-02 ppm1      6.999 ppm2      1.606 CV     1
 OR {   30}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 18   and name HB% )
 OR {   30}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 15   and name HG  ))
 ASSI {   31}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 6    and name HB2 ))
      2.700     2.700     3.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.17876E-02 ppm1      7.043 ppm2      1.620 CV     1
 OR {   31}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 67   and name HB3 ))
 OR {   31}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 90   and name HB3 ))
 OR {   31}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 15   and name HG  ))
 ASSI {   32}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 12   and name HG  ))
      4.000     2.000     2.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.19093E-03 ppm1      6.986 ppm2      1.684 CV     1
 OR {   32}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
 OR {   32}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 10   and name HG2 ))
 OR {   32}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 49   and name HG2 ))
 ASSI {   33}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 55   and name HG3 ))
      3.700     1.700     1.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.52855E-03 ppm1      7.043 ppm2      1.739 CV     1
 OR {   33}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
 OR {   33}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 99   and name HB3 ))
 ASSI {   37}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.100     2.100     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12412E-03 ppm1      7.047 ppm2      2.077 CV     1
 OR {   37}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 76   and name HG  ))
 OR {   37}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 50   and name HG3 ))
 OR {   37}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 40   and name HB3 ))
 OR {   37}
   (( segid "    " and resid 98   and name HD1 ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {   38}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB3 ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.37711E-02 ppm1      6.987 ppm2      2.079 CV     1
 OR {   38}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {   44}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 48   and name HB3 ))
      3.300     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.71564E-03 ppm1      7.264 ppm2      2.968 CV     1
 OR {   44}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HB3 ))
 OR {   44}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {   52}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 69   and name HB3 ))
      3.200     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      7.363 ppm2      3.273 CV     1
 OR {   52}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 68   and name HB2 ))
 ASSI {   55}
   (  segid "    " and resid 69   and name HD% )
   (( segid "    " and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.40086E-02 ppm1      7.354 ppm2      3.394 CV     1
 OR {   55}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 97   and name HB3 ))
 ASSI {   59}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.39196E-03 ppm1      7.361 ppm2      3.858 CV     1
 OR {   59}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 99   and name HA  ))
 OR {   59}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 100  and name HB2 ))
 OR {   59}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {   60}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 99   and name HA  ))
      3.000     1.100     1.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.24824E-02 ppm1      7.326 ppm2      3.859 CV     1
 OR {   60}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 99   and name HA  ))
 ASSI {   61}
   (( segid "    " and resid 75   and name HZ  ))
   (( segid "    " and resid 57   and name HA1 ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.14758E-02 ppm1      7.278 ppm2      3.882 CV     1
 OR {   61}
   (( segid "    " and resid 98   and name HZ3 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {   64}
   (  segid "    " and resid 97   and name HE% )
   (( segid "    " and resid 95   and name HB2 ))
      4.800     2.900     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.10096E-03 ppm1      7.204 ppm2      4.016 CV     1
 OR {   64}
   (  segid "    " and resid 97   and name HE% )
   (( segid "    " and resid 96   and name HA  ))
 OR {   64}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HA2 ))
 ASSI {   66}
   (( segid "    " and resid 98   and name HZ2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.600     3.600     2.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.27170E-03 ppm1      7.661 ppm2      4.226 CV     1
 OR {   66}
   (( segid "    " and resid 98   and name HZ2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   67}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 95   and name HA  ))
      3.300     3.300     2.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.27110E-02 ppm1      7.112 ppm2      4.228 CV     1
 OR {   67}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   76}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 69   and name HA  ))
      2.700     2.700     3.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.30882E-02 ppm1      7.316 ppm2      4.545 CV     1
 OR {   76}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 22   and name HA  ))
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          H1        MET   1  19.806  -4.780   5.110
    2   2H    MET   1          H2        MET   1  18.129  -4.993   5.079
    3   3H    MET   1          H3        MET   1  19.153  -6.339   5.044
    4    HA   MET   1           HA       MET   1  18.150  -6.027   7.223
    5   1HB   MET   1          HB2       MET   1  21.132  -5.533   7.109
    6   2HB   MET   1          HB3       MET   1  20.254  -6.105   8.522
    7   1HG   MET   1          HG2       MET   1  19.587  -8.111   7.275
    8   2HG   MET   1          HG3       MET   1  20.521  -7.542   5.892
    9   1HE   MET   1          HE1       MET   1  20.684  -8.817   9.615
   10   2HE   MET   1          HE2       MET   1  22.408  -8.667   9.953
   11   3HE   MET   1          HE3       MET   1  21.431  -7.221   9.699
   12    H    ALA   2           HN       ALA   2  20.434  -3.401   6.447
   13    HA   ALA   2           HA       ALA   2  19.217  -1.765   8.546
   14   1HB   ALA   2          HB1       ALA   2  21.691  -1.245   6.902
   15   2HB   ALA   2          HB2       ALA   2  21.127  -0.286   8.271
   16   3HB   ALA   2          HB3       ALA   2  21.661  -1.948   8.520
   17    H    ALA   3           HN       ALA   3  18.495  -2.385   5.476
   18    HA   ALA   3           HA       ALA   3  17.268   0.218   5.091
   19   1HB   ALA   3          HB1       ALA   3  19.473   0.423   4.003
   20   2HB   ALA   3          HB2       ALA   3  19.063  -0.938   2.961
   21   3HB   ALA   3          HB3       ALA   3  18.136   0.559   2.863
   22    H    GLY   4           HN       GLY   4  17.123  -3.062   5.012
   23   1HA   GLY   4          HA1       GLY   4  15.059  -3.132   2.911
   24   2HA   GLY   4          HA2       GLY   4  15.914  -4.533   3.539
   25    H    GLU   5           HN       GLU   5  13.744  -1.929   4.638
   26    HA   GLU   5           HA       GLU   5  11.906  -3.800   5.770
   27   1HB   GLU   5          HB2       GLU   5  13.663  -3.802   7.507
   28   2HB   GLU   5          HB3       GLU   5  13.477  -2.062   7.679
   29   1HG   GLU   5          HG2       GLU   5  12.317  -3.233   9.452
   30   2HG   GLU   5          HG3       GLU   5  11.173  -2.379   8.417
   31    H    LEU   6           HN       LEU   6  12.994  -0.574   5.159
   32    HA   LEU   6           HA       LEU   6  11.920   1.395   4.815
   33   1HB   LEU   6          HB2       LEU   6  10.508  -0.281   3.427
   34   2HB   LEU   6          HB3       LEU   6   9.320  -0.099   4.701
   35    HG   LEU   6           HG       LEU   6   9.269   2.345   4.253
   36   1HD1  LEU   6          HD11      LEU   6  11.003   1.617   1.897
   37   2HD1  LEU   6          HD12      LEU   6  10.264   3.191   2.195
   38   3HD1  LEU   6          HD13      LEU   6  11.500   2.574   3.292
   39   1HD2  LEU   6          HD21      LEU   6   8.061   2.158   2.094
   40   2HD2  LEU   6          HD22      LEU   6   8.655   0.503   1.942
   41   3HD2  LEU   6          HD23      LEU   6   7.578   0.937   3.272
   42    H    GLU   7           HN       GLU   7  12.350   2.130   6.923
   43    HA   GLU   7           HA       GLU   7  11.886   2.926   9.002
   44   1HB   GLU   7          HB2       GLU   7   9.155   2.990   7.740
   45   2HB   GLU   7          HB3       GLU   7   9.450   3.606   9.357
   46   1HG   GLU   7          HG2       GLU   7  10.941   4.562   6.932
   47   2HG   GLU   7          HG3       GLU   7   9.442   5.297   7.501
   48    H    GLY   8           HN       GLY   8   8.762   1.301   8.745
   49   1HA   GLY   8          HA1       GLY   8   9.552  -1.014  10.227
   50   2HA   GLY   8          HA2       GLY   8   8.741   0.168  11.246
   51    H    GLY   9           HN       GLY   9   6.851  -0.888  11.641
   52   1HA   GLY   9          HA1       GLY   9   5.371  -2.131   9.480
   53   2HA   GLY   9          HA2       GLY   9   4.897  -2.067  11.172
   54    H    LYS  10           HN       LYS  10   5.464   0.929  11.038
   55    HA   LYS  10           HA       LYS  10   2.825   1.789  10.716
   56   1HB   LYS  10          HB2       LYS  10   4.391   3.004  12.101
   57   2HB   LYS  10          HB3       LYS  10   5.395   3.373  10.707
   58   1HG   LYS  10          HG2       LYS  10   4.156   5.326  11.262
   59   2HG   LYS  10          HG3       LYS  10   3.493   4.673   9.763
   60   1HD   LYS  10          HD2       LYS  10   1.678   5.350  11.196
   61   2HD   LYS  10          HD3       LYS  10   1.694   3.590  11.085
   62   1HE   LYS  10          HE2       LYS  10   2.680   3.388  13.247
   63   2HE   LYS  10          HE3       LYS  10   2.980   5.124  13.336
   64   1HZ   LYS  10          HZ1       LYS  10   0.632   5.526  13.451
   65   2HZ   LYS  10          HZ2       LYS  10   1.042   4.402  14.646
   66   3HZ   LYS  10          HZ3       LYS  10   0.283   3.885  13.226
   67    HA   PRO  11           HA       PRO  11   4.155   3.654   6.429
   68   1HB   PRO  11          HB2       PRO  11   6.228   2.457   5.157
   69   2HB   PRO  11          HB3       PRO  11   6.442   3.845   6.236
   70   1HG   PRO  11          HG2       PRO  11   6.810   0.924   6.815
   71   2HG   PRO  11          HG3       PRO  11   7.861   2.286   7.233
   72   1HD   PRO  11          HD2       PRO  11   6.178   1.209   9.025
   73   2HD   PRO  11          HD3       PRO  11   6.519   2.951   9.001
   74    H    LEU  12           HN       LEU  12   5.270   0.265   6.412
   75    HA   LEU  12           HA       LEU  12   4.096  -0.567   4.074
   76   1HB   LEU  12          HB2       LEU  12   5.508  -1.762   6.084
   77   2HB   LEU  12          HB3       LEU  12   3.944  -2.533   6.252
   78    HG   LEU  12           HG       LEU  12   5.396  -3.877   4.861
   79   1HD1  LEU  12          HD11      LEU  12   3.123  -4.077   4.292
   80   2HD1  LEU  12          HD12      LEU  12   3.131  -2.550   3.409
   81   3HD1  LEU  12          HD13      LEU  12   4.006  -3.942   2.772
   82   1HD2  LEU  12          HD21      LEU  12   6.874  -2.135   4.029
   83   2HD2  LEU  12          HD22      LEU  12   6.195  -3.060   2.690
   84   3HD2  LEU  12          HD23      LEU  12   5.560  -1.459   3.067
   85    H    SER  13           HN       SER  13   2.606  -0.065   7.191
   86    HA   SER  13           HA       SER  13   0.167  -1.423   6.572
   87   1HB   SER  13          HB2       SER  13   0.839  -1.158   8.886
   88   2HB   SER  13          HB3       SER  13   0.834   0.599   8.722
   89    HG   SER  13           HG       SER  13  -1.090  -0.344   9.697
   90    H    GLY  14           HN       GLY  14   1.258   1.936   6.447
   91   1HA   GLY  14          HA1       GLY  14  -1.325   2.672   5.229
   92   2HA   GLY  14          HA2       GLY  14  -0.237   3.796   6.030
   93    H    LEU  15           HN       LEU  15   0.957   1.363   3.843
   94    HA   LEU  15           HA       LEU  15   2.261   3.297   2.216
   95   1HB   LEU  15          HB2       LEU  15   2.431   0.544   2.636
   96   2HB   LEU  15          HB3       LEU  15   1.974   0.707   0.954
   97    HG   LEU  15           HG       LEU  15   4.359   0.567   1.072
   98   1HD1  LEU  15          HD11      LEU  15   3.462   3.397   0.555
   99   2HD1  LEU  15          HD12      LEU  15   5.027   2.734   0.085
  100   3HD1  LEU  15          HD13      LEU  15   3.547   2.077  -0.610
  101   1HD2  LEU  15          HD21      LEU  15   5.689   2.240   2.322
  102   2HD2  LEU  15          HD22      LEU  15   4.196   2.839   3.045
  103   3HD2  LEU  15          HD23      LEU  15   4.732   1.190   3.365
  104    H    LEU  16           HN       LEU  16  -0.258   0.911   1.369
  105    HA   LEU  16           HA       LEU  16  -0.849   1.911  -1.153
  106   1HB   LEU  16          HB2       LEU  16  -2.856   0.668   0.729
  107   2HB   LEU  16          HB3       LEU  16  -2.941   0.711  -1.020
  108    HG   LEU  16           HG       LEU  16  -2.285  -1.459  -0.663
  109   1HD1  LEU  16          HD11      LEU  16   0.062  -1.703  -1.223
  110   2HD1  LEU  16          HD12      LEU  16  -0.645  -0.366  -2.131
  111   3HD1  LEU  16          HD13      LEU  16   0.377  -0.039  -0.732
  112   1HD2  LEU  16          HD21      LEU  16  -1.899  -0.816   1.873
  113   2HD2  LEU  16          HD22      LEU  16  -1.257  -2.306   1.182
  114   3HD2  LEU  16          HD23      LEU  16  -0.206  -0.907   1.384
  115    H    ASN  17           HN       ASN  17  -1.558   3.166   1.940
  116    HA   ASN  17           HA       ASN  17  -3.776   4.820   1.192
  117   1HB   ASN  17          HB2       ASN  17  -1.988   4.604   3.599
  118   2HB   ASN  17          HB3       ASN  17  -3.106   5.961   3.437
  119   1HD2  ASN  17          HD21      ASN  17  -2.794   2.532   3.882
  120   2HD2  ASN  17          HD22      ASN  17  -4.430   2.238   4.353
  121    H    ALA  18           HN       ALA  18  -0.377   5.497   2.020
  122    HA   ALA  18           HA       ALA  18  -0.395   8.224   1.354
  123   1HB   ALA  18          HB1       ALA  18   2.097   7.918   1.168
  124   2HB   ALA  18          HB2       ALA  18   1.373   7.395   2.686
  125   3HB   ALA  18          HB3       ALA  18   1.828   6.202   1.471
  126    H    LEU  19           HN       LEU  19   0.545   5.376  -0.523
  127    HA   LEU  19           HA       LEU  19   1.525   6.513  -2.813
  128   1HB   LEU  19          HB2       LEU  19  -0.165   4.032  -2.548
  129   2HB   LEU  19          HB3       LEU  19   0.770   4.451  -3.970
  130    HG   LEU  19           HG       LEU  19   2.005   4.038  -1.251
  131   1HD1  LEU  19          HD11      LEU  19   1.606   2.077  -3.502
  132   2HD1  LEU  19          HD12      LEU  19   2.721   1.833  -2.157
  133   3HD1  LEU  19          HD13      LEU  19   0.988   1.959  -1.854
  134   1HD2  LEU  19          HD21      LEU  19   3.340   5.370  -2.776
  135   2HD2  LEU  19          HD22      LEU  19   4.066   3.777  -2.561
  136   3HD2  LEU  19          HD23      LEU  19   3.166   4.144  -4.032
  137    H    ALA  20           HN       ALA  20  -1.699   6.714  -1.689
  138    HA   ALA  20           HA       ALA  20  -3.167   6.827  -4.048
  139   1HB   ALA  20          HB1       ALA  20  -4.170   6.815  -1.808
  140   2HB   ALA  20          HB2       ALA  20  -3.613   8.469  -1.557
  141   3HB   ALA  20          HB3       ALA  20  -4.805   8.120  -2.809
  142    H    GLN  21           HN       GLN  21  -2.021   7.859  -5.682
  143    HA   GLN  21           HA       GLN  21  -1.459  10.718  -5.335
  144   1HB   GLN  21          HB2       GLN  21  -0.562   8.721  -7.416
  145   2HB   GLN  21          HB3       GLN  21  -0.252  10.446  -7.542
  146   1HG   GLN  21          HG2       GLN  21   0.996  10.365  -5.434
  147   2HG   GLN  21          HG3       GLN  21   0.709   8.628  -5.345
  148   1HE2  GLN  21          HE21      GLN  21   3.205  10.181  -5.524
  149   2HE2  GLN  21          HE22      GLN  21   4.044   9.559  -6.900
  150    H    ASP  22           HN       ASP  22  -3.152   8.450  -7.461
  151    HA   ASP  22           HA       ASP  22  -4.753  10.713  -8.456
  152   1HB   ASP  22          HB2       ASP  22  -5.034   9.340 -10.569
  153   2HB   ASP  22          HB3       ASP  22  -3.429  10.014 -10.303
  154    H    THR  23           HN       THR  23  -6.423  10.445  -7.009
  155    HA   THR  23           HA       THR  23  -7.699   7.850  -6.737
  156    HB   THR  23           HB       THR  23  -9.166   8.929  -5.112
  157    HG1  THR  23           HG1      THR  23  -9.515  10.988  -5.490
  158   1HG2  THR  23          HG21      THR  23  -7.490   9.585  -3.456
  159   2HG2  THR  23          HG22      THR  23  -6.283   9.747  -4.730
  160   3HG2  THR  23          HG23      THR  23  -6.960   8.164  -4.355
  161    H    PHE  24           HN       PHE  24  -8.619  11.113  -7.812
  162    HA   PHE  24           HA       PHE  24 -10.217  10.104  -9.948
  163   1HB   PHE  24          HB2       PHE  24 -11.756   9.701  -8.045
  164   2HB   PHE  24          HB3       PHE  24 -11.678  11.413  -7.641
  165    HD1  PHE  24           HD1      PHE  24 -12.848   8.973 -10.139
  166    HD2  PHE  24           HD2      PHE  24 -12.951  13.021  -8.831
  167    HE1  PHE  24           HE1      PHE  24 -14.723   9.415 -11.670
  168    HE2  PHE  24           HE2      PHE  24 -14.828  13.471 -10.359
  169    HZ   PHE  24           HZ       PHE  24 -15.716  11.667 -11.780
  170    H    HIS  25           HN       HIS  25  -9.182  12.730  -7.898
  171    HA   HIS  25           HA       HIS  25  -8.930  14.452 -10.215
  172   1HB   HIS  25          HB2       HIS  25 -10.141  16.330  -9.168
  173   2HB   HIS  25          HB3       HIS  25 -11.200  14.960  -9.485
  174    HD1  HIS  25           HD1      HIS  25  -9.921  17.107  -6.778
  175    HD2  HIS  25           HD2      HIS  25 -11.997  13.524  -7.131
  176    HE1  HIS  25           HE1      HIS  25 -10.892  16.665  -4.501
  177    HE2  HIS  25           HE2      HIS  25 -12.112  14.472  -4.727
  178    H    GLY  26           HN       GLY  26  -8.335  13.728  -6.862
  179   1HA   GLY  26          HA1       GLY  26  -6.075  13.970  -6.029
  180   2HA   GLY  26          HA2       GLY  26  -5.933  15.435  -6.989
  181    H    TYR  27           HN       TYR  27  -6.517  14.194  -3.937
  182    HA   TYR  27           HA       TYR  27  -8.177  16.326  -2.951
  183   1HB   TYR  27          HB2       TYR  27  -6.636  14.133  -1.556
  184   2HB   TYR  27          HB3       TYR  27  -7.626  15.314  -0.706
  185    HD1  TYR  27           HD1      TYR  27  -9.973  15.066  -0.573
  186    HD2  TYR  27           HD2      TYR  27  -7.729  12.556  -3.171
  187    HE1  TYR  27           HE1      TYR  27 -11.960  13.656  -0.914
  188    HE2  TYR  27           HE2      TYR  27  -9.708  11.138  -3.522
  189    HH   TYR  27           HH       TYR  27 -12.831  12.076  -2.579
  190    HA   PRO  28           HA       PRO  28  -4.996  19.289  -2.116
  191   1HB   PRO  28          HB2       PRO  28  -6.546  20.156   0.230
  192   2HB   PRO  28          HB3       PRO  28  -6.144  21.048  -1.240
  193   1HG   PRO  28          HG2       PRO  28  -8.644  20.201  -0.740
  194   2HG   PRO  28          HG3       PRO  28  -7.983  20.255  -2.385
  195   1HD   PRO  28          HD2       PRO  28  -8.316  17.909  -0.551
  196   2HD   PRO  28          HD3       PRO  28  -8.619  18.026  -2.298
  197    H    GLY  29           HN       GLY  29  -5.882  16.815   0.016
  198   1HA   GLY  29          HA1       GLY  29  -3.953  17.535   2.079
  199   2HA   GLY  29          HA2       GLY  29  -5.029  16.147   2.095
  200    H    ILE  30           HN       ILE  30  -4.514  14.520   0.258
  201    HA   ILE  30           HA       ILE  30  -1.799  13.678   0.656
  202    HB   ILE  30           HB       ILE  30  -3.675  12.071   0.557
  203   1HG1  ILE  30          HG12      ILE  30  -2.565  10.475  -1.095
  204   2HG1  ILE  30          HG13      ILE  30  -1.454  11.790  -1.467
  205   1HG2  ILE  30          HG21      ILE  30  -3.774  12.799  -2.367
  206   2HG2  ILE  30          HG22      ILE  30  -4.660  11.478  -1.604
  207   3HG2  ILE  30          HG23      ILE  30  -5.012  13.148  -1.160
  208   1HD1  ILE  30          HD11      ILE  30  -0.751  11.843   0.874
  209   2HD1  ILE  30          HD12      ILE  30  -1.847  10.508   1.226
  210   3HD1  ILE  30          HD13      ILE  30  -0.482  10.263   0.138
  211    H    THR  31           HN       THR  31  -0.133  13.605  -0.801
  212    HA   THR  31           HA       THR  31  -0.573  14.566  -3.526
  213    HB   THR  31           HB       THR  31   1.599  15.779  -1.812
  214    HG1  THR  31           HG1      THR  31   0.269  17.514  -1.506
  215   1HG2  THR  31          HG21      THR  31   1.615  17.468  -3.656
  216   2HG2  THR  31          HG22      THR  31   0.500  16.432  -4.547
  217   3HG2  THR  31          HG23      THR  31   2.121  15.855  -4.155
  218    H    GLU  32           HN       GLU  32   1.242  14.124  -4.954
  219    HA   GLU  32           HA       GLU  32   2.259  11.559  -4.713
  220   1HB   GLU  32          HB2       GLU  32   3.365  13.857  -6.333
  221   2HB   GLU  32          HB3       GLU  32   3.773  12.164  -6.571
  222   1HG   GLU  32          HG2       GLU  32   1.605  11.639  -7.316
  223   2HG   GLU  32          HG3       GLU  32   0.958  13.179  -6.754
  224    H    GLU  33           HN       GLU  33   3.947  14.638  -4.093
  225    HA   GLU  33           HA       GLU  33   6.308  13.270  -3.166
  226   1HB   GLU  33          HB2       GLU  33   5.533  16.190  -3.023
  227   2HB   GLU  33          HB3       GLU  33   7.116  15.543  -2.614
  228   1HG   GLU  33          HG2       GLU  33   7.407  14.778  -4.908
  229   2HG   GLU  33          HG3       GLU  33   5.814  15.407  -5.323
  230    H    LEU  34           HN       LEU  34   3.332  13.988  -1.851
  231    HA   LEU  34           HA       LEU  34   4.223  14.429   0.865
  232   1HB   LEU  34          HB2       LEU  34   2.208  15.523  -0.109
  233   2HB   LEU  34          HB3       LEU  34   1.440  13.952  -0.198
  234    HG   LEU  34           HG       LEU  34   0.835  15.523   1.753
  235   1HD1  LEU  34          HD11      LEU  34   1.659  12.732   2.495
  236   2HD1  LEU  34          HD12      LEU  34   0.326  13.685   3.144
  237   3HD1  LEU  34          HD13      LEU  34   0.261  13.091   1.484
  238   1HD2  LEU  34          HD21      LEU  34   3.163  16.061   2.372
  239   2HD2  LEU  34          HD22      LEU  34   2.239  15.384   3.713
  240   3HD2  LEU  34          HD23      LEU  34   3.403  14.380   2.848
  241    H    LEU  35           HN       LEU  35   3.017  11.762  -1.082
  242    HA   LEU  35           HA       LEU  35   2.166  10.035   0.900
  243   1HB   LEU  35          HB2       LEU  35   2.510   8.221  -0.629
  244   2HB   LEU  35          HB3       LEU  35   1.859   9.598  -1.485
  245    HG   LEU  35           HG       LEU  35   4.468   9.989  -1.977
  246   1HD1  LEU  35          HD11      LEU  35   5.463   7.776  -2.495
  247   2HD1  LEU  35          HD12      LEU  35   5.247   8.062  -0.769
  248   3HD1  LEU  35          HD13      LEU  35   4.125   7.015  -1.636
  249   1HD2  LEU  35          HD21      LEU  35   2.610   8.129  -3.459
  250   2HD2  LEU  35          HD22      LEU  35   2.719   9.879  -3.654
  251   3HD2  LEU  35          HD23      LEU  35   4.072   8.853  -4.129
  252    H    ARG  36           HN       ARG  36   5.505  10.555  -0.228
  253    HA   ARG  36           HA       ARG  36   6.595   8.490   1.356
  254   1HB   ARG  36          HB2       ARG  36   7.891  10.976   0.235
  255   2HB   ARG  36          HB3       ARG  36   8.737   9.607   0.921
  256   1HG   ARG  36          HG2       ARG  36   8.906   9.040  -1.255
  257   2HG   ARG  36          HG3       ARG  36   7.338   8.301  -0.912
  258   1HD   ARG  36          HD2       ARG  36   6.331  10.535  -1.637
  259   2HD   ARG  36          HD3       ARG  36   7.925  10.907  -2.293
  260    HE   ARG  36           HE       ARG  36   6.851   8.384  -3.170
  261   1HH1  ARG  36          HH12      ARG  36   7.037  11.808  -3.794
  262   2HH1  ARG  36          HH11      ARG  36   6.615  11.654  -5.466
  263   1HH2  ARG  36          HH22      ARG  36   6.284   8.177  -5.361
  264   2HH2  ARG  36          HH21      ARG  36   6.187   9.591  -6.357
  265    H    SER  37           HN       SER  37   6.455  12.017   1.777
  266    HA   SER  37           HA       SER  37   7.655  12.095   4.304
  267   1HB   SER  37          HB2       SER  37   5.625  13.983   3.086
  268   2HB   SER  37          HB3       SER  37   6.591  14.329   4.521
  269    HG   SER  37           HG       SER  37   8.428  14.304   3.277
  270    H    GLN  38           HN       GLN  38   4.564  11.051   3.305
  271    HA   GLN  38           HA       GLN  38   3.047  11.572   5.618
  272   1HB   GLN  38          HB2       GLN  38   2.590  10.453   3.119
  273   2HB   GLN  38          HB3       GLN  38   2.290   9.129   4.235
  274   1HG   GLN  38          HG2       GLN  38   1.007  11.845   4.359
  275   2HG   GLN  38          HG3       GLN  38   0.260  10.382   3.717
  276   1HE2  GLN  38          HE21      GLN  38   1.308  12.052   6.578
  277   2HE2  GLN  38          HE22      GLN  38   0.484  11.044   7.714
  278    H    LEU  39           HN       LEU  39   4.822   8.625   4.623
  279    HA   LEU  39           HA       LEU  39   4.823   7.837   7.456
  280   1HB   LEU  39          HB2       LEU  39   4.356   5.969   5.136
  281   2HB   LEU  39          HB3       LEU  39   4.480   5.500   6.820
  282    HG   LEU  39           HG       LEU  39   2.457   7.355   6.891
  283   1HD1  LEU  39          HD11      LEU  39   0.930   6.853   5.095
  284   2HD1  LEU  39          HD12      LEU  39   2.446   7.443   4.421
  285   3HD1  LEU  39          HD13      LEU  39   2.080   5.720   4.387
  286   1HD2  LEU  39          HD21      LEU  39   2.523   5.186   8.025
  287   2HD2  LEU  39          HD22      LEU  39   0.988   5.437   7.192
  288   3HD2  LEU  39          HD23      LEU  39   2.208   4.377   6.490
  289    H    TYR  40           HN       TYR  40   6.394   7.496   4.294
  290    HA   TYR  40           HA       TYR  40   8.813   6.576   5.698
  291   1HB   TYR  40          HB2       TYR  40   9.426   6.032   3.140
  292   2HB   TYR  40          HB3       TYR  40   8.604   4.895   4.192
  293    HD1  TYR  40           HD1      TYR  40   5.968   5.072   4.159
  294    HD2  TYR  40           HD2      TYR  40   8.521   6.474   1.059
  295    HE1  TYR  40           HE1      TYR  40   4.091   4.971   2.573
  296    HE2  TYR  40           HE2      TYR  40   6.653   6.371  -0.535
  297    HH   TYR  40           HH       TYR  40   3.414   5.925   0.458
  298    HA   PRO  41           HA       PRO  41   9.946  10.802   4.287
  299   1HB   PRO  41          HB2       PRO  41  11.352  11.486   6.480
  300   2HB   PRO  41          HB3       PRO  41   9.589  11.601   6.428
  301   1HG   PRO  41          HG2       PRO  41  11.311   9.469   7.631
  302   2HG   PRO  41          HG3       PRO  41   9.852  10.231   8.289
  303   1HD   PRO  41          HD2       PRO  41   9.846   7.794   7.068
  304   2HD   PRO  41          HD3       PRO  41   8.448   8.888   7.066
  305    H    GLU  42           HN       GLU  42  11.569   7.942   5.091
  306    HA   GLU  42           HA       GLU  42  14.250   8.882   4.662
  307   1HB   GLU  42          HB2       GLU  42  14.857   6.491   4.729
  308   2HB   GLU  42          HB3       GLU  42  13.883   6.970   6.111
  309   1HG   GLU  42          HG2       GLU  42  11.931   5.945   5.162
  310   2HG   GLU  42          HG3       GLU  42  12.798   5.590   3.668
  311    H    VAL  43           HN       VAL  43  11.765   7.267   2.752
  312    HA   VAL  43           HA       VAL  43  13.493   6.883   0.496
  313    HB   VAL  43           HB       VAL  43  10.628   6.337   1.085
  314   1HG1  VAL  43          HG11      VAL  43  10.431   7.491  -1.037
  315   2HG1  VAL  43          HG12      VAL  43  11.741   6.525  -1.717
  316   3HG1  VAL  43          HG13      VAL  43  10.211   5.759  -1.286
  317   1HG2  VAL  43          HG21      VAL  43  12.253   4.636   1.503
  318   2HG2  VAL  43          HG22      VAL  43  11.290   4.155   0.106
  319   3HG2  VAL  43          HG23      VAL  43  12.913   4.810  -0.124
  320    HA   PRO  44           HA       PRO  44  12.667  10.866  -1.193
  321   1HB   PRO  44          HB2       PRO  44  14.049  10.313  -3.597
  322   2HB   PRO  44          HB3       PRO  44  14.717  11.047  -2.139
  323   1HG   PRO  44          HG2       PRO  44  15.383   8.531  -3.173
  324   2HG   PRO  44          HG3       PRO  44  15.769   9.131  -1.552
  325   1HD   PRO  44          HD2       PRO  44  13.563   7.328  -2.435
  326   2HD   PRO  44          HD3       PRO  44  14.486   7.330  -0.914
  327    HA   PRO  45           HA       PRO  45   9.233  10.439  -3.960
  328   1HB   PRO  45          HB2       PRO  45  10.000  13.023  -5.166
  329   2HB   PRO  45          HB3       PRO  45   8.536  12.588  -4.281
  330   1HG   PRO  45          HG2       PRO  45  10.362  14.178  -3.171
  331   2HG   PRO  45          HG3       PRO  45   9.527  12.943  -2.202
  332   1HD   PRO  45          HD2       PRO  45  12.262  12.833  -3.445
  333   2HD   PRO  45          HD3       PRO  45  11.764  12.404  -1.792
  334    H    GLU  46           HN       GLU  46  12.063   9.626  -4.896
  335    HA   GLU  46           HA       GLU  46  11.359   9.462  -7.734
  336   1HB   GLU  46          HB2       GLU  46  12.976  11.276  -7.559
  337   2HB   GLU  46          HB3       GLU  46  14.075  10.241  -6.658
  338   1HG   GLU  46          HG2       GLU  46  14.820  10.439  -8.934
  339   2HG   GLU  46          HG3       GLU  46  14.291   8.787  -8.623
  340    H    GLU  47           HN       GLU  47  13.449   8.296  -5.117
  341    HA   GLU  47           HA       GLU  47  13.929   5.788  -6.519
  342   1HB   GLU  47          HB2       GLU  47  14.904   6.838  -3.859
  343   2HB   GLU  47          HB3       GLU  47  15.337   5.265  -4.513
  344   1HG   GLU  47          HG2       GLU  47  16.419   6.320  -6.406
  345   2HG   GLU  47          HG3       GLU  47  15.924   7.910  -5.826
  346    H    PHE  48           HN       PHE  48  11.261   6.664  -5.363
  347    HA   PHE  48           HA       PHE  48  10.734   4.818  -3.222
  348   1HB   PHE  48          HB2       PHE  48   8.430   5.580  -3.402
  349   2HB   PHE  48          HB3       PHE  48   9.520   6.963  -3.433
  350    HD1  PHE  48           HD1      PHE  48  10.056   8.021  -5.658
  351    HD2  PHE  48           HD2      PHE  48   6.930   5.176  -5.160
  352    HE1  PHE  48           HE1      PHE  48   9.028   8.790  -7.757
  353    HE2  PHE  48           HE2      PHE  48   5.898   5.937  -7.259
  354    HZ   PHE  48           HZ       PHE  48   6.973   7.696  -8.592
  355    H    ARG  49           HN       ARG  49  10.407   4.842  -6.692
  356    HA   ARG  49           HA       ARG  49   8.545   2.809  -7.044
  357   1HB   ARG  49          HB2       ARG  49   9.648   4.403  -8.764
  358   2HB   ARG  49          HB3       ARG  49  10.865   3.141  -8.912
  359   1HG   ARG  49          HG2       ARG  49   9.258   2.824 -10.632
  360   2HG   ARG  49          HG3       ARG  49   9.040   1.536  -9.446
  361   1HD   ARG  49          HD2       ARG  49   7.250   3.015  -8.402
  362   2HD   ARG  49          HD3       ARG  49   7.349   3.987  -9.871
  363    HE   ARG  49           HE       ARG  49   6.976   1.339 -10.642
  364   1HH1  ARG  49          HH12      ARG  49   5.249   3.825  -8.913
  365   2HH1  ARG  49          HH11      ARG  49   3.685   3.231  -9.363
  366   1HH2  ARG  49          HH22      ARG  49   4.920   0.549 -11.235
  367   2HH2  ARG  49          HH21      ARG  49   3.499   1.367 -10.677
  368    HA   PRO  50           HA       PRO  50  12.383  -0.305  -7.386
  369   1HB   PRO  50          HB2       PRO  50  14.233   0.427  -5.400
  370   2HB   PRO  50          HB3       PRO  50  14.470   0.541  -7.146
  371   1HG   PRO  50          HG2       PRO  50  13.655   2.640  -5.198
  372   2HG   PRO  50          HG3       PRO  50  14.663   2.783  -6.649
  373   1HD   PRO  50          HD2       PRO  50  12.135   3.652  -6.640
  374   2HD   PRO  50          HD3       PRO  50  12.820   2.853  -8.071
  375    H    PHE  51           HN       PHE  51  11.508   1.381  -4.390
  376    HA   PHE  51           HA       PHE  51  11.565  -1.022  -2.826
  377   1HB   PHE  51          HB2       PHE  51  11.517   1.675  -2.222
  378   2HB   PHE  51          HB3       PHE  51   9.902   1.142  -1.768
  379    HD1  PHE  51           HD1      PHE  51   9.851  -1.105  -0.379
  380    HD2  PHE  51           HD2      PHE  51  13.195   1.510  -0.666
  381    HE1  PHE  51           HE1      PHE  51  10.734  -2.009   1.731
  382    HE2  PHE  51           HE2      PHE  51  14.086   0.608   1.441
  383    HZ   PHE  51           HZ       PHE  51  12.878  -1.180   2.622
  384    H    LEU  52           HN       LEU  52   9.208   0.735  -4.692
  385    HA   LEU  52           HA       LEU  52   6.944  -0.724  -3.729
  386   1HB   LEU  52          HB2       LEU  52   7.355   1.092  -6.095
  387   2HB   LEU  52          HB3       LEU  52   5.831   0.298  -5.775
  388    HG   LEU  52           HG       LEU  52   7.196   2.349  -4.033
  389   1HD1  LEU  52          HD11      LEU  52   6.089   3.230  -6.038
  390   2HD1  LEU  52          HD12      LEU  52   4.593   2.428  -5.556
  391   3HD1  LEU  52          HD13      LEU  52   5.264   3.720  -4.559
  392   1HD2  LEU  52          HD21      LEU  52   5.220   2.185  -2.600
  393   2HD2  LEU  52          HD22      LEU  52   4.620   0.847  -3.583
  394   3HD2  LEU  52          HD23      LEU  52   6.108   0.661  -2.656
  395    H    ALA  53           HN       ALA  53   9.514  -1.595  -5.628
  396    HA   ALA  53           HA       ALA  53   8.418  -2.994  -7.764
  397   1HB   ALA  53          HB1       ALA  53  10.829  -2.660  -7.470
  398   2HB   ALA  53          HB2       ALA  53  10.818  -3.783  -6.110
  399   3HB   ALA  53          HB3       ALA  53  10.440  -4.360  -7.733
  400    H    LYS  54           HN       LYS  54   8.199  -3.547  -4.428
  401    HA   LYS  54           HA       LYS  54   6.941  -6.167  -4.883
  402   1HB   LYS  54          HB2       LYS  54   8.448  -5.224  -2.435
  403   2HB   LYS  54          HB3       LYS  54   7.619  -6.767  -2.584
  404   1HG   LYS  54          HG2       LYS  54   9.187  -7.621  -4.048
  405   2HG   LYS  54          HG3       LYS  54   9.746  -6.023  -4.542
  406   1HD   LYS  54          HD2       LYS  54  11.375  -7.214  -3.112
  407   2HD   LYS  54          HD3       LYS  54  10.824  -5.695  -2.405
  408   1HE   LYS  54          HE2       LYS  54   9.367  -6.842  -0.901
  409   2HE   LYS  54          HE3       LYS  54   9.648  -8.379  -1.715
  410   1HZ   LYS  54          HZ1       LYS  54  10.911  -8.208   0.342
  411   2HZ   LYS  54          HZ2       LYS  54  11.693  -6.821  -0.228
  412   3HZ   LYS  54          HZ3       LYS  54  11.948  -8.309  -0.992
  413    H    MET  55           HN       MET  55   6.385  -3.021  -4.207
  414    HA   MET  55           HA       MET  55   3.942  -3.618  -2.667
  415   1HB   MET  55          HB2       MET  55   5.823  -1.269  -2.372
  416   2HB   MET  55          HB3       MET  55   4.228  -1.345  -1.634
  417   1HG   MET  55          HG2       MET  55   4.951  -2.611   0.045
  418   2HG   MET  55          HG3       MET  55   5.841  -3.686  -1.029
  419   1HE   MET  55          HE1       MET  55   6.018  -0.185   0.895
  420   2HE   MET  55          HE2       MET  55   7.575   0.378   0.291
  421   3HE   MET  55          HE3       MET  55   6.225   0.161  -0.821
  422    H    ARG  56           HN       ARG  56   4.633  -3.112  -5.634
  423    HA   ARG  56           HA       ARG  56   3.036  -0.706  -6.115
  424   1HB   ARG  56          HB2       ARG  56   3.881  -0.682  -8.311
  425   2HB   ARG  56          HB3       ARG  56   5.246  -1.156  -7.312
  426   1HG   ARG  56          HG2       ARG  56   4.196  -3.577  -7.962
  427   2HG   ARG  56          HG3       ARG  56   3.836  -2.635  -9.409
  428   1HD   ARG  56          HD2       ARG  56   6.267  -1.907  -9.362
  429   2HD   ARG  56          HD3       ARG  56   6.511  -3.158  -8.147
  430    HE   ARG  56           HE       ARG  56   5.249  -4.346 -10.322
  431   1HH1  ARG  56          HH12      ARG  56   8.290  -2.808  -9.587
  432   2HH1  ARG  56          HH11      ARG  56   9.178  -3.712 -10.769
  433   1HH2  ARG  56          HH22      ARG  56   6.411  -5.537 -11.879
  434   2HH2  ARG  56          HH21      ARG  56   8.110  -5.261 -12.071
  435    H    GLY  57           HN       GLY  57   2.958  -4.180  -6.574
  436   1HA   GLY  57          HA1       GLY  57   0.876  -4.432  -8.389
  437   2HA   GLY  57          HA2       GLY  57   1.233  -5.593  -7.118
  438    H    ILE  58           HN       ILE  58   0.748  -3.669  -4.975
  439    HA   ILE  58           HA       ILE  58  -2.126  -3.991  -4.847
  440    HB   ILE  58           HB       ILE  58  -0.393  -2.707  -2.753
  441   1HG1  ILE  58          HG12      ILE  58  -0.768  -5.319  -1.958
  442   2HG1  ILE  58          HG13      ILE  58  -0.443  -5.481  -3.679
  443   1HG2  ILE  58          HG21      ILE  58  -2.997  -4.222  -2.626
  444   2HG2  ILE  58          HG22      ILE  58  -2.120  -3.579  -1.237
  445   3HG2  ILE  58          HG23      ILE  58  -2.789  -2.480  -2.442
  446   1HD1  ILE  58          HD11      ILE  58   1.630  -4.207  -3.392
  447   2HD1  ILE  58          HD12      ILE  58   1.313  -4.106  -1.660
  448   3HD1  ILE  58          HD13      ILE  58   1.601  -5.674  -2.415
  449    H    LEU  59           HN       LEU  59   0.143  -1.495  -5.521
  450    HA   LEU  59           HA       LEU  59  -1.415   0.752  -4.778
  451   1HB   LEU  59          HB2       LEU  59   1.100   0.606  -5.319
  452   2HB   LEU  59          HB3       LEU  59   0.620   0.725  -6.998
  453    HG   LEU  59           HG       LEU  59  -0.075   2.807  -4.927
  454   1HD1  LEU  59          HD11      LEU  59   1.749   4.130  -5.871
  455   2HD1  LEU  59          HD12      LEU  59   2.346   2.640  -5.138
  456   3HD1  LEU  59          HD13      LEU  59   2.211   2.770  -6.893
  457   1HD2  LEU  59          HD21      LEU  59  -1.544   2.910  -6.809
  458   2HD2  LEU  59          HD22      LEU  59  -0.370   4.215  -6.972
  459   3HD2  LEU  59          HD23      LEU  59  -0.200   2.749  -7.938
  460    H    LYS  60           HN       LYS  60  -0.854  -0.780  -7.951
  461    HA   LYS  60           HA       LYS  60  -2.734   0.868  -9.303
  462   1HB   LYS  60          HB2       LYS  60  -2.445  -0.698 -11.178
  463   2HB   LYS  60          HB3       LYS  60  -0.905  -0.185 -10.507
  464   1HG   LYS  60          HG2       LYS  60  -0.479  -2.399 -10.698
  465   2HG   LYS  60          HG3       LYS  60  -1.216  -2.412  -9.095
  466   1HD   LYS  60          HD2       LYS  60  -3.349  -3.051 -10.040
  467   2HD   LYS  60          HD3       LYS  60  -2.697  -2.922 -11.674
  468   1HE   LYS  60          HE2       LYS  60  -1.783  -4.862  -9.552
  469   2HE   LYS  60          HE3       LYS  60  -2.813  -5.250 -10.930
  470   1HZ   LYS  60          HZ1       LYS  60  -0.011  -4.273 -11.077
  471   2HZ   LYS  60          HZ2       LYS  60  -0.999  -4.620 -12.405
  472   3HZ   LYS  60          HZ3       LYS  60  -0.524  -5.860 -11.358
  473    H    SER  61           HN       SER  61  -3.066  -1.853  -7.292
  474    HA   SER  61           HA       SER  61  -5.526  -2.821  -8.437
  475   1HB   SER  61          HB2       SER  61  -4.127  -3.452  -5.831
  476   2HB   SER  61          HB3       SER  61  -5.594  -4.256  -6.387
  477    HG   SER  61           HG       SER  61  -4.102  -5.549  -7.205
  478    H    ILE  62           HN       ILE  62  -4.616  -1.019  -5.515
  479    HA   ILE  62           HA       ILE  62  -7.383  -0.642  -4.774
  480    HB   ILE  62           HB       ILE  62  -4.850   0.459  -3.550
  481   1HG1  ILE  62          HG12      ILE  62  -6.671  -1.792  -2.658
  482   2HG1  ILE  62          HG13      ILE  62  -5.117  -2.010  -3.454
  483   1HG2  ILE  62          HG21      ILE  62  -6.739   1.907  -3.055
  484   2HG2  ILE  62          HG22      ILE  62  -7.695   0.520  -2.532
  485   3HG2  ILE  62          HG23      ILE  62  -6.272   1.008  -1.612
  486   1HD1  ILE  62          HD11      ILE  62  -5.562  -0.721  -0.772
  487   2HD1  ILE  62          HD12      ILE  62  -4.936  -2.345  -1.062
  488   3HD1  ILE  62          HD13      ILE  62  -4.004  -0.936  -1.568
  489    H    ALA  63           HN       ALA  63  -4.741   1.391  -5.993
  490    HA   ALA  63           HA       ALA  63  -6.410   3.749  -5.982
  491   1HB   ALA  63          HB1       ALA  63  -4.455   4.908  -6.835
  492   2HB   ALA  63          HB2       ALA  63  -4.036   3.914  -5.440
  493   3HB   ALA  63          HB3       ALA  63  -3.626   3.368  -7.068
  494    H    SER  64           HN       SER  64  -4.588   2.104  -8.582
  495    HA   SER  64           HA       SER  64  -5.955   3.510 -10.638
  496   1HB   SER  64          HB2       SER  64  -4.234   1.034 -10.792
  497   2HB   SER  64          HB3       SER  64  -4.759   1.994 -12.173
  498    HG   SER  64           HG       SER  64  -3.717   3.748 -10.644
  499    H    ALA  65           HN       ALA  65  -6.649   0.507  -8.998
  500    HA   ALA  65           HA       ALA  65  -8.728  -0.043 -11.015
  501   1HB   ALA  65          HB1       ALA  65  -8.658  -2.378 -10.306
  502   2HB   ALA  65          HB2       ALA  65  -7.080  -1.819 -10.858
  503   3HB   ALA  65          HB3       ALA  65  -7.402  -1.985  -9.134
  504    H    ASP  66           HN       ASP  66  -8.097   0.225  -7.560
  505    HA   ASP  66           HA       ASP  66  -9.475   0.468  -5.765
  506   1HB   ASP  66          HB2       ASP  66 -10.347   2.365  -7.081
  507   2HB   ASP  66          HB3       ASP  66 -11.508   1.288  -7.852
  508    H    MET  67           HN       MET  67  -9.621  -1.614  -5.055
  509    HA   MET  67           HA       MET  67 -11.889  -3.207  -6.055
  510   1HB   MET  67          HB2       MET  67  -9.352  -4.154  -4.713
  511   2HB   MET  67          HB3       MET  67 -10.665  -5.187  -5.260
  512   1HG   MET  67          HG2       MET  67  -9.103  -3.394  -7.092
  513   2HG   MET  67          HG3       MET  67  -8.667  -5.071  -6.766
  514   1HE   MET  67          HE1       MET  67 -10.117  -5.323 -10.379
  515   2HE   MET  67          HE2       MET  67  -9.088  -4.068  -9.692
  516   3HE   MET  67          HE3       MET  67  -8.782  -5.763  -9.315
  517    H    ASP  68           HN       ASP  68 -12.455  -4.945  -4.251
  518    HA   ASP  68           HA       ASP  68 -12.829  -3.490  -1.716
  519   1HB   ASP  68          HB2       ASP  68 -14.787  -5.326  -3.117
  520   2HB   ASP  68          HB3       ASP  68 -15.024  -4.635  -1.516
  521    H    PHE  69           HN       PHE  69 -13.942  -5.455  -0.190
  522    HA   PHE  69           HA       PHE  69 -11.673  -7.058   0.436
  523   1HB   PHE  69          HB2       PHE  69 -12.999  -7.921   2.265
  524   2HB   PHE  69          HB3       PHE  69 -13.260  -6.185   2.143
  525    HD1  PHE  69           HD1      PHE  69 -14.776  -9.443   2.066
  526    HD2  PHE  69           HD2      PHE  69 -15.373  -5.341   1.104
  527    HE1  PHE  69           HE1      PHE  69 -17.204  -9.826   1.958
  528    HE2  PHE  69           HE2      PHE  69 -17.803  -5.717   0.995
  529    HZ   PHE  69           HZ       PHE  69 -18.720  -7.962   1.423
  530    H    ASN  70           HN       ASN  70 -11.724  -9.410   0.679
  531    HA   ASN  70           HA       ASN  70 -11.986 -11.530  -0.085
  532   1HB   ASN  70          HB2       ASN  70 -14.407 -11.121   0.350
  533   2HB   ASN  70          HB3       ASN  70 -14.579 -10.577  -1.315
  534   1HD2  ASN  70          HD21      ASN  70 -14.082 -13.292   0.781
  535   2HD2  ASN  70          HD22      ASN  70 -14.360 -14.519  -0.402
  536    H    GLN  71           HN       GLN  71 -11.792  -8.853  -2.107
  537    HA   GLN  71           HA       GLN  71 -11.426 -10.457  -4.526
  538   1HB   GLN  71          HB2       GLN  71 -11.406  -7.453  -4.174
  539   2HB   GLN  71          HB3       GLN  71 -11.337  -8.311  -5.707
  540   1HG   GLN  71          HG2       GLN  71 -13.562  -9.258  -5.241
  541   2HG   GLN  71          HG3       GLN  71 -13.631  -8.303  -3.762
  542   1HE2  GLN  71          HE21      GLN  71 -15.433  -7.160  -4.439
  543   2HE2  GLN  71          HE22      GLN  71 -15.357  -5.956  -5.675
  544    H    LEU  72           HN       LEU  72  -9.696  -8.187  -2.429
  545    HA   LEU  72           HA       LEU  72  -7.217  -8.554  -3.881
  546   1HB   LEU  72          HB2       LEU  72  -7.757  -7.109  -1.285
  547   2HB   LEU  72          HB3       LEU  72  -6.261  -7.058  -2.193
  548    HG   LEU  72           HG       LEU  72  -8.902  -6.030  -3.220
  549   1HD1  LEU  72          HD11      LEU  72  -8.048  -4.791  -1.250
  550   2HD1  LEU  72          HD12      LEU  72  -6.557  -4.472  -2.139
  551   3HD1  LEU  72          HD13      LEU  72  -8.091  -3.825  -2.725
  552   1HD2  LEU  72          HD21      LEU  72  -7.324  -6.716  -4.967
  553   2HD2  LEU  72          HD22      LEU  72  -7.540  -4.966  -4.938
  554   3HD2  LEU  72          HD23      LEU  72  -6.085  -5.687  -4.247
  555    H    GLU  73           HN       GLU  73  -8.833  -9.905  -1.157
  556    HA   GLU  73           HA       GLU  73  -6.801 -10.844   0.441
  557   1HB   GLU  73          HB2       GLU  73  -9.148 -11.120   1.014
  558   2HB   GLU  73          HB3       GLU  73  -9.370 -12.245  -0.317
  559   1HG   GLU  73          HG2       GLU  73  -9.218 -13.427   1.786
  560   2HG   GLU  73          HG3       GLU  73  -7.843 -13.820   0.755
  561    H    ALA  74           HN       ALA  74  -8.044 -12.262  -2.551
  562    HA   ALA  74           HA       ALA  74  -6.196 -14.480  -2.424
  563   1HB   ALA  74          HB1       ALA  74  -8.425 -14.789  -3.381
  564   2HB   ALA  74          HB2       ALA  74  -8.047 -13.621  -4.647
  565   3HB   ALA  74          HB3       ALA  74  -7.164 -15.147  -4.562
  566    H    PHE  75           HN       PHE  75  -6.178 -11.277  -3.591
  567    HA   PHE  75           HA       PHE  75  -4.300 -11.625  -5.712
  568   1HB   PHE  75          HB2       PHE  75  -5.698  -9.702  -5.804
  569   2HB   PHE  75          HB3       PHE  75  -5.225  -9.195  -4.185
  570    HD1  PHE  75           HD1      PHE  75  -3.260  -7.919  -3.826
  571    HD2  PHE  75           HD2      PHE  75  -4.107  -9.515  -7.680
  572    HE1  PHE  75           HE1      PHE  75  -1.486  -6.513  -4.795
  573    HE2  PHE  75           HE2      PHE  75  -2.333  -8.114  -8.654
  574    HZ   PHE  75           HZ       PHE  75  -1.021  -6.612  -7.212
  575    H    LEU  76           HN       LEU  76  -4.056 -10.932  -2.278
  576    HA   LEU  76           HA       LEU  76  -1.377 -10.114  -2.228
  577   1HB   LEU  76          HB2       LEU  76  -3.241 -10.204  -0.370
  578   2HB   LEU  76          HB3       LEU  76  -2.415 -11.703   0.035
  579    HG   LEU  76           HG       LEU  76  -0.309 -10.019  -0.244
  580   1HD1  LEU  76          HD11      LEU  76  -0.728  -7.896   0.452
  581   2HD1  LEU  76          HD12      LEU  76  -2.182  -8.218  -0.483
  582   3HD1  LEU  76          HD13      LEU  76  -2.224  -8.332   1.275
  583   1HD2  LEU  76          HD21      LEU  76  -0.470  -9.827   2.286
  584   2HD2  LEU  76          HD22      LEU  76  -1.952 -10.770   2.134
  585   3HD2  LEU  76          HD23      LEU  76  -0.421 -11.444   1.581
  586    H    THR  77           HN       THR  77  -2.781 -13.283  -2.514
  587    HA   THR  77           HA       THR  77  -0.610 -14.835  -1.668
  588    HB   THR  77           HB       THR  77  -2.350 -15.610  -4.007
  589    HG1  THR  77           HG1      THR  77  -3.700 -14.786  -2.317
  590   1HG2  THR  77          HG21      THR  77  -2.084 -17.846  -3.125
  591   2HG2  THR  77          HG22      THR  77  -1.236 -17.224  -1.710
  592   3HG2  THR  77          HG23      THR  77  -0.495 -17.105  -3.304
  593    H    ALA  78           HN       ALA  78  -1.169 -12.924  -4.468
  594    HA   ALA  78           HA       ALA  78   0.835 -14.069  -6.149
  595   1HB   ALA  78          HB1       ALA  78  -1.097 -12.807  -7.025
  596   2HB   ALA  78          HB2       ALA  78  -0.448 -11.339  -6.292
  597   3HB   ALA  78          HB3       ALA  78   0.442 -12.150  -7.582
  598    H    GLN  79           HN       GLN  79   0.737 -11.570  -3.723
  599    HA   GLN  79           HA       GLN  79   3.267 -10.409  -4.370
  600   1HB   GLN  79          HB2       GLN  79   1.753 -10.244  -1.768
  601   2HB   GLN  79          HB3       GLN  79   3.006  -9.147  -2.330
  602   1HG   GLN  79          HG2       GLN  79   1.609  -8.239  -3.985
  603   2HG   GLN  79          HG3       GLN  79   0.423  -9.531  -3.808
  604   1HE2  GLN  79          HE21      GLN  79   1.992  -7.957  -1.123
  605   2HE2  GLN  79          HE22      GLN  79   0.593  -7.139  -0.532
  606    H    THR  80           HN       THR  80   2.356 -13.271  -2.867
  607    HA   THR  80           HA       THR  80   4.908 -13.428  -1.407
  608    HB   THR  80           HB       THR  80   3.881 -15.172  -0.017
  609    HG1  THR  80           HG1      THR  80   1.865 -15.885  -0.387
  610   1HG2  THR  80          HG21      THR  80   3.704 -12.751   0.602
  611   2HG2  THR  80          HG22      THR  80   2.422 -13.759   1.274
  612   3HG2  THR  80          HG23      THR  80   2.097 -12.735  -0.125
  613    H    LYS  81           HN       LYS  81   3.745 -14.249  -4.290
  614    HA   LYS  81           HA       LYS  81   5.223 -16.799  -4.336
  615   1HB   LYS  81          HB2       LYS  81   3.705 -17.605  -6.090
  616   2HB   LYS  81          HB3       LYS  81   2.842 -17.261  -4.598
  617   1HG   LYS  81          HG2       LYS  81   2.065 -15.155  -5.518
  618   2HG   LYS  81          HG3       LYS  81   2.967 -15.453  -7.001
  619   1HD   LYS  81          HD2       LYS  81   0.539 -15.970  -7.175
  620   2HD   LYS  81          HD3       LYS  81   1.585 -17.344  -7.531
  621   1HE   LYS  81          HE2       LYS  81   1.203 -18.217  -5.279
  622   2HE   LYS  81          HE3       LYS  81   0.181 -16.828  -4.911
  623   1HZ   LYS  81          HZ1       LYS  81  -1.127 -18.775  -5.502
  624   2HZ   LYS  81          HZ2       LYS  81  -0.364 -18.858  -7.010
  625   3HZ   LYS  81          HZ3       LYS  81  -1.350 -17.537  -6.635
  626    H    LYS  82           HN       LYS  82   4.691 -13.697  -5.714
  627    HA   LYS  82           HA       LYS  82   5.739 -14.028  -8.283
  628   1HB   LYS  82          HB2       LYS  82   6.139 -11.638  -8.273
  629   2HB   LYS  82          HB3       LYS  82   4.601 -11.974  -7.488
  630   1HG   LYS  82          HG2       LYS  82   5.506 -11.564  -5.342
  631   2HG   LYS  82          HG3       LYS  82   7.156 -11.559  -5.966
  632   1HD   LYS  82          HD2       LYS  82   6.718  -9.299  -5.727
  633   2HD   LYS  82          HD3       LYS  82   6.321  -9.576  -7.424
  634   1HE   LYS  82          HE2       LYS  82   3.936  -9.883  -6.720
  635   2HE   LYS  82          HE3       LYS  82   4.415  -9.363  -5.103
  636   1HZ   LYS  82          HZ1       LYS  82   5.140  -7.257  -6.034
  637   2HZ   LYS  82          HZ2       LYS  82   3.512  -7.533  -6.395
  638   3HZ   LYS  82          HZ3       LYS  82   4.691  -7.756  -7.587
  639    H    GLN  83           HN       GLN  83   7.889 -13.052  -9.010
  640    HA   GLN  83           HA       GLN  83  10.002 -14.545  -8.055
  641   1HB   GLN  83          HB2       GLN  83  11.415 -12.549  -9.099
  642   2HB   GLN  83          HB3       GLN  83  10.546 -13.699 -10.099
  643   1HG   GLN  83          HG2       GLN  83  10.243 -11.431 -10.894
  644   2HG   GLN  83          HG3       GLN  83   8.714 -12.115 -10.357
  645   1HE2  GLN  83          HE21      GLN  83   7.739 -11.307  -8.498
  646   2HE2  GLN  83          HE22      GLN  83   8.209  -9.802  -7.792
  647    H    GLY  84           HN       GLY  84  10.403 -14.570  -5.920
  648   1HA   GLY  84          HA1       GLY  84  11.577 -13.826  -4.047
  649   2HA   GLY  84          HA2       GLY  84  11.680 -12.228  -4.777
  650    H    GLY  85           HN       GLY  85   9.381 -11.210  -5.063
  651   1HA   GLY  85          HA1       GLY  85   7.619 -10.214  -4.006
  652   2HA   GLY  85          HA2       GLY  85   7.246 -11.818  -3.401
  653    H    ILE  86           HN       ILE  86   6.433 -10.448  -1.612
  654    HA   ILE  86           HA       ILE  86   8.488  -9.378   0.154
  655    HB   ILE  86           HB       ILE  86   6.592  -8.609   1.530
  656   1HG1  ILE  86          HG12      ILE  86   4.858  -9.755  -0.672
  657   2HG1  ILE  86          HG13      ILE  86   5.073 -10.506   0.905
  658   1HG2  ILE  86          HG21      ILE  86   6.476  -7.936  -1.409
  659   2HG2  ILE  86          HG22      ILE  86   5.682  -6.999  -0.141
  660   3HG2  ILE  86          HG23      ILE  86   7.440  -7.135  -0.170
  661   1HD1  ILE  86          HD11      ILE  86   3.867  -7.803   0.376
  662   2HD1  ILE  86          HD12      ILE  86   2.996  -9.274   0.808
  663   3HD1  ILE  86          HD13      ILE  86   4.099  -8.531   1.965
  664    H    THR  87           HN       THR  87   7.964  -9.835   2.586
  665    HA   THR  87           HA       THR  87   7.968 -12.752   2.882
  666    HB   THR  87           HB       THR  87   9.944 -11.666   3.762
  667    HG1  THR  87           HG1      THR  87   8.339 -12.339   6.008
  668   1HG2  THR  87          HG21      THR  87   9.112  -9.443   4.161
  669   2HG2  THR  87          HG22      THR  87   9.756 -10.082   5.673
  670   3HG2  THR  87          HG23      THR  87   8.013 -10.033   5.406
  671    H    SER  88           HN       SER  88   7.122 -13.462   5.144
  672    HA   SER  88           HA       SER  88   4.357 -13.021   5.206
  673   1HB   SER  88          HB2       SER  88   6.141 -14.119   7.393
  674   2HB   SER  88          HB3       SER  88   4.386 -14.275   7.327
  675    HG   SER  88           HG       SER  88   6.030 -15.963   6.361
  676    H    ASP  89           HN       ASP  89   6.956 -11.257   6.619
  677    HA   ASP  89           HA       ASP  89   5.497 -10.019   8.726
  678   1HB   ASP  89          HB2       ASP  89   7.956 -10.122   8.727
  679   2HB   ASP  89          HB3       ASP  89   8.002  -9.084   7.306
  680    H    GLN  90           HN       GLN  90   6.169  -9.176   5.367
  681    HA   GLN  90           HA       GLN  90   4.881  -6.611   5.552
  682   1HB   GLN  90          HB2       GLN  90   5.996  -8.237   3.280
  683   2HB   GLN  90          HB3       GLN  90   5.074  -6.771   2.977
  684   1HG   GLN  90          HG2       GLN  90   6.702  -5.568   4.465
  685   2HG   GLN  90          HG3       GLN  90   7.674  -7.039   4.459
  686   1HE2  GLN  90          HE21      GLN  90   8.713  -7.669   2.568
  687   2HE2  GLN  90          HE22      GLN  90   8.934  -6.591   1.236
  688    H    ALA  91           HN       ALA  91   4.107  -9.693   3.953
  689    HA   ALA  91           HA       ALA  91   1.633  -9.025   2.904
  690   1HB   ALA  91          HB1       ALA  91   1.153 -11.438   2.927
  691   2HB   ALA  91          HB2       ALA  91   2.775 -11.082   2.331
  692   3HB   ALA  91          HB3       ALA  91   2.552 -11.691   3.971
  693    H    ALA  92           HN       ALA  92   2.527  -9.479   6.185
  694    HA   ALA  92           HA       ALA  92   0.016 -10.248   7.250
  695   1HB   ALA  92          HB1       ALA  92   2.094 -10.548   8.487
  696   2HB   ALA  92          HB2       ALA  92   2.296  -8.799   8.586
  697   3HB   ALA  92          HB3       ALA  92   0.944  -9.578   9.408
  698    H    VAL  93           HN       VAL  93   1.537  -7.095   6.714
  699    HA   VAL  93           HA       VAL  93  -0.754  -5.733   7.849
  700    HB   VAL  93           HB       VAL  93   1.867  -5.043   7.771
  701   1HG1  VAL  93          HG11      VAL  93   1.619  -4.587   5.302
  702   2HG1  VAL  93          HG12      VAL  93   0.610  -3.213   5.754
  703   3HG1  VAL  93          HG13      VAL  93   2.294  -3.281   6.275
  704   1HG2  VAL  93          HG21      VAL  93   0.129  -4.164   9.253
  705   2HG2  VAL  93          HG22      VAL  93   1.158  -2.884   8.611
  706   3HG2  VAL  93          HG23      VAL  93  -0.455  -3.136   7.945
  707    H    ILE  94           HN       ILE  94   0.594  -6.373   4.648
  708    HA   ILE  94           HA       ILE  94  -1.080  -4.547   3.261
  709    HB   ILE  94           HB       ILE  94   0.076  -7.058   2.061
  710   1HG1  ILE  94          HG12      ILE  94   1.409  -4.376   2.495
  711   2HG1  ILE  94          HG13      ILE  94   1.880  -5.907   3.223
  712   1HG2  ILE  94          HG21      ILE  94  -1.525  -5.850   0.673
  713   2HG2  ILE  94          HG22      ILE  94  -0.619  -4.355   0.904
  714   3HG2  ILE  94          HG23      ILE  94   0.103  -5.693   0.010
  715   1HD1  ILE  94          HD11      ILE  94   2.105  -5.080   0.346
  716   2HD1  ILE  94          HD12      ILE  94   3.402  -5.485   1.471
  717   3HD1  ILE  94          HD13      ILE  94   2.315  -6.745   0.887
  718    H    SER  95           HN       SER  95  -1.386  -8.014   3.989
  719    HA   SER  95           HA       SER  95  -3.670  -8.601   2.527
  720   1HB   SER  95          HB2       SER  95  -2.317 -10.272   3.771
  721   2HB   SER  95          HB3       SER  95  -2.982  -9.657   5.280
  722    HG   SER  95           HG       SER  95  -4.726 -10.478   3.244
  723    H    LYS  96           HN       LYS  96  -3.345  -6.482   5.131
  724    HA   LYS  96           HA       LYS  96  -6.088  -6.684   6.047
  725   1HB   LYS  96          HB2       LYS  96  -4.071  -4.627   6.904
  726   2HB   LYS  96          HB3       LYS  96  -5.438  -5.266   7.812
  727   1HG   LYS  96          HG2       LYS  96  -4.311  -7.437   7.943
  728   2HG   LYS  96          HG3       LYS  96  -2.950  -6.761   7.051
  729   1HD   LYS  96          HD2       LYS  96  -2.310  -6.685   9.308
  730   2HD   LYS  96          HD3       LYS  96  -2.777  -5.032   8.889
  731   1HE   LYS  96          HE2       LYS  96  -3.678  -5.660  11.064
  732   2HE   LYS  96          HE3       LYS  96  -4.976  -5.396   9.898
  733   1HZ   LYS  96          HZ1       LYS  96  -3.899  -8.036  10.733
  734   2HZ   LYS  96          HZ2       LYS  96  -5.124  -7.796   9.591
  735   3HZ   LYS  96          HZ3       LYS  96  -5.382  -7.372  11.208
  736    H    PHE  97           HN       PHE  97  -4.757  -5.340   3.427
  737    HA   PHE  97           HA       PHE  97  -5.405  -2.698   3.277
  738   1HB   PHE  97          HB2       PHE  97  -5.951  -3.249   0.771
  739   2HB   PHE  97          HB3       PHE  97  -4.316  -3.377   1.393
  740    HD1  PHE  97           HD1      PHE  97  -3.853  -4.821  -0.631
  741    HD2  PHE  97           HD2      PHE  97  -6.609  -5.952   2.411
  742    HE1  PHE  97           HE1      PHE  97  -3.781  -7.147  -1.427
  743    HE2  PHE  97           HE2      PHE  97  -6.531  -8.283   1.617
  744    HZ   PHE  97           HZ       PHE  97  -4.981  -8.848  -0.363
  745    H    TRP  98           HN       TRP  98  -7.761  -5.253   3.541
  746    HA   TRP  98           HA       TRP  98  -9.803  -3.222   2.914
  747   1HB   TRP  98          HB2       TRP  98 -11.338  -5.094   2.267
  748   2HB   TRP  98          HB3       TRP  98  -9.983  -4.828   1.182
  749    HD1  TRP  98           HD1      TRP  98  -8.582  -6.880   0.590
  750    HE1  TRP  98           HE1      TRP  98  -8.428  -9.303   1.436
  751    HE3  TRP  98           HE3      TRP  98 -11.670  -6.527   4.655
  752    HZ2  TRP  98           HZ2      TRP  98  -9.479 -10.863   3.535
  753    HZ3  TRP  98           HZ3      TRP  98 -12.047  -8.537   6.023
  754    HH2  TRP  98           HH2      TRP  98 -10.974 -10.660   5.473
  755    H    LYS  99           HN       LYS  99  -8.616  -5.291   5.349
  756    HA   LYS  99           HA       LYS  99 -11.171  -5.366   6.742
  757   1HB   LYS  99          HB2       LYS  99 -10.025  -6.722   8.409
  758   2HB   LYS  99          HB3       LYS  99  -9.762  -7.363   6.798
  759   1HG   LYS  99          HG2       LYS  99  -7.657  -7.529   7.655
  760   2HG   LYS  99          HG3       LYS  99  -7.572  -5.933   6.916
  761   1HD   LYS  99          HD2       LYS  99  -6.591  -5.937   9.156
  762   2HD   LYS  99          HD3       LYS  99  -8.009  -4.892   9.079
  763   1HE   LYS  99          HE2       LYS  99  -9.364  -6.657  10.078
  764   2HE   LYS  99          HE3       LYS  99  -7.952  -7.710  10.152
  765   1HZ   LYS  99          HZ1       LYS  99  -8.321  -5.146  11.607
  766   2HZ   LYS  99          HZ2       LYS  99  -6.894  -6.055  11.615
  767   3HZ   LYS  99          HZ3       LYS  99  -8.309  -6.698  12.283
  768    H    SER 100           HN       SER 100  -8.293  -3.503   6.652
  769    HA   SER 100           HA       SER 100  -8.379  -2.445   9.281
  770   1HB   SER 100          HB2       SER 100  -6.341  -2.335   7.951
  771   2HB   SER 100          HB3       SER 100  -7.146  -1.320   6.757
  772    HG   SER 100           HG       SER 100  -5.931  -0.594   9.030
  773    H    HIS 101           HN       HIS 101 -10.317  -1.901   6.536
  774    HA   HIS 101           HA       HIS 101 -11.393   0.548   7.772
  775   1HB   HIS 101          HB2       HIS 101 -10.126   0.887   5.595
  776   2HB   HIS 101          HB3       HIS 101 -11.420  -0.008   4.807
  777    HD1  HIS 101           HD1      HIS 101 -13.357   1.341   4.036
  778    HD2  HIS 101           HD2      HIS 101 -11.128   3.323   6.930
  779    HE1  HIS 101           HE1      HIS 101 -14.357   3.642   4.195
  780    HE2  HIS 101           HE2      HIS 101 -13.005   4.820   5.965
  781    H    LYS 102           HN       LYS 102 -12.074  -2.565   7.451
  782    HA   LYS 102           HA       LYS 102 -14.954  -2.051   7.232
  783   1HB   LYS 102          HB2       LYS 102 -13.354  -4.171   5.811
  784   2HB   LYS 102          HB3       LYS 102 -15.076  -4.336   6.086
  785   1HG   LYS 102          HG2       LYS 102 -15.471  -2.262   4.842
  786   2HG   LYS 102          HG3       LYS 102 -13.736  -2.125   4.549
  787   1HD   LYS 102          HD2       LYS 102 -13.785  -4.273   3.354
  788   2HD   LYS 102          HD3       LYS 102 -15.526  -4.372   3.622
  789   1HE   LYS 102          HE2       LYS 102 -15.059  -3.549   1.385
  790   2HE   LYS 102          HE3       LYS 102 -15.832  -2.295   2.353
  791   1HZ   LYS 102          HZ1       LYS 102 -13.664  -1.295   2.724
  792   2HZ   LYS 102          HZ2       LYS 102 -13.985  -1.415   1.067
  793   3HZ   LYS 102          HZ3       LYS 102 -12.920  -2.503   1.801
  794    H    THR 103           HN       THR 103 -13.618  -2.218   9.641
  795    HA   THR 103           HA       THR 103 -14.720  -4.720  10.710
  796    HB   THR 103           HB       THR 103 -12.782  -4.770  12.353
  797    HG1  THR 103           HG1      THR 103 -10.840  -3.787  11.120
  798   1HG2  THR 103          HG21      THR 103 -11.296  -5.957  10.788
  799   2HG2  THR 103          HG22      THR 103 -12.204  -5.286   9.433
  800   3HG2  THR 103          HG23      THR 103 -12.987  -6.400  10.554
  801    H    LYS 104           HN       LYS 104 -12.942  -1.970  12.110
  802    HA   LYS 104           HA       LYS 104 -15.086  -1.645  14.069
  803   1HB   LYS 104          HB2       LYS 104 -13.539  -0.327  15.354
  804   2HB   LYS 104          HB3       LYS 104 -12.710  -1.785  14.832
  805   1HG   LYS 104          HG2       LYS 104 -12.464   0.791  13.317
  806   2HG   LYS 104          HG3       LYS 104 -11.442   0.423  14.705
  807   1HD   LYS 104          HD2       LYS 104 -10.720  -1.655  13.570
  808   2HD   LYS 104          HD3       LYS 104 -11.675  -1.187  12.163
  809   1HE   LYS 104          HE2       LYS 104  -9.380   0.377  13.339
  810   2HE   LYS 104          HE3       LYS 104  -9.308  -0.619  11.885
  811   1HZ   LYS 104          HZ1       LYS 104 -10.934   0.832  10.848
  812   2HZ   LYS 104          HZ2       LYS 104  -9.587   1.723  11.353
  813   3HZ   LYS 104          HZ3       LYS 104 -11.021   1.781  12.247
  814    H    ILE 105           HN       ILE 105 -15.107  -0.788  11.185
  815    HA   ILE 105           HA       ILE 105 -15.002   2.026  11.030
  816    HB   ILE 105           HB       ILE 105 -16.957   1.095   9.182
  817   1HG1  ILE 105          HG12      ILE 105 -15.403  -0.572   8.006
  818   2HG1  ILE 105          HG13      ILE 105 -14.634  -0.762   9.578
  819   1HG2  ILE 105          HG21      ILE 105 -15.231   1.690   7.541
  820   2HG2  ILE 105          HG22      ILE 105 -15.455   2.925   8.782
  821   3HG2  ILE 105          HG23      ILE 105 -14.064   1.843   8.856
  822   1HD1  ILE 105          HD11      ILE 105 -17.521  -1.298   8.918
  823   2HD1  ILE 105          HD12      ILE 105 -16.269  -2.499   9.233
  824   3HD1  ILE 105          HD13      ILE 105 -16.808  -1.427  10.525
  825    H    ARG 106           HN       ARG 106 -18.053   0.402  10.363
  826    HA   ARG 106           HA       ARG 106 -19.404   2.465  11.925
  827   1HB   ARG 106          HB2       ARG 106 -20.482   0.489   9.908
  828   2HB   ARG 106          HB3       ARG 106 -21.449   1.699  10.740
  829   1HG   ARG 106          HG2       ARG 106 -19.963   3.446   9.733
  830   2HG   ARG 106          HG3       ARG 106 -19.232   2.166   8.763
  831   1HD   ARG 106          HD2       ARG 106 -22.153   2.920   8.774
  832   2HD   ARG 106          HD3       ARG 106 -20.984   3.361   7.530
  833    HE   ARG 106           HE       ARG 106 -20.992   0.569   7.837
  834   1HH1  ARG 106          HH12      ARG 106 -23.025   3.143   6.655
  835   2HH1  ARG 106          HH11      ARG 106 -23.832   2.144   5.492
  836   1HH2  ARG 106          HH22      ARG 106 -22.049  -0.751   6.307
  837   2HH2  ARG 106          HH21      ARG 106 -23.275  -0.068   5.292
  838    H    GLU 107           HN       GLU 107 -18.642  -0.872  12.006
  839    HA   GLU 107           HA       GLU 107 -19.106  -2.557  13.457
  840   1HB   GLU 107          HB2       GLU 107 -19.977  -0.299  15.269
  841   2HB   GLU 107          HB3       GLU 107 -19.628  -1.945  15.777
  842   1HG   GLU 107          HG2       GLU 107 -17.304  -1.659  15.012
  843   2HG   GLU 107          HG3       GLU 107 -17.672   0.015  14.597
  844    H    SER 108           HN       SER 108 -20.732  -3.629  12.417
  845    HA   SER 108           HA       SER 108 -23.343  -3.472  13.617
  846   1HB   SER 108          HB2       SER 108 -24.542  -3.171  11.450
  847   2HB   SER 108          HB3       SER 108 -23.618  -1.748  11.931
  848    HG   SER 108           HG       SER 108 -21.978  -2.424  10.486
  Start of MODEL    2
    1   1H    MET   1          H1        MET   1  22.558  -8.498   2.201
    2   2H    MET   1          H2        MET   1  21.663  -8.796   3.605
    3   3H    MET   1          H3        MET   1  21.797  -7.219   3.007
    4    HA   MET   1           HA       MET   1  20.546  -7.769   1.065
    5   1HB   MET   1          HB2       MET   1  19.543  -9.991   0.807
    6   2HB   MET   1          HB3       MET   1  21.298 -10.084   0.828
    7   1HG   MET   1          HG2       MET   1  19.621 -10.584   3.267
    8   2HG   MET   1          HG3       MET   1  20.044 -11.854   2.120
    9   1HE   MET   1          HE1       MET   1  21.217 -13.309   4.039
   10   2HE   MET   1          HE2       MET   1  22.363 -12.621   5.189
   11   3HE   MET   1          HE3       MET   1  20.686 -12.072   5.178
   12    H    ALA   2           HN       ALA   2  18.132  -8.177   1.050
   13    HA   ALA   2           HA       ALA   2  16.073  -7.674   1.869
   14   1HB   ALA   2          HB1       ALA   2  17.146  -8.815   4.448
   15   2HB   ALA   2          HB2       ALA   2  15.448  -8.601   4.019
   16   3HB   ALA   2          HB3       ALA   2  16.445  -9.755   3.131
   17    H    ALA   3           HN       ALA   3  15.039  -6.656   4.101
   18    HA   ALA   3           HA       ALA   3  14.721  -4.723   5.254
   19   1HB   ALA   3          HB1       ALA   3  17.733  -4.710   5.423
   20   2HB   ALA   3          HB2       ALA   3  16.630  -3.779   6.436
   21   3HB   ALA   3          HB3       ALA   3  16.644  -5.540   6.534
   22    H    GLY   4           HN       GLY   4  15.079  -4.650   2.323
   23   1HA   GLY   4          HA1       GLY   4  16.544  -2.381   1.524
   24   2HA   GLY   4          HA2       GLY   4  15.212  -3.101   0.634
   25    H    GLU   5           HN       GLU   5  16.249  -0.507   2.572
   26    HA   GLU   5           HA       GLU   5  15.263   1.402   3.316
   27   1HB   GLU   5          HB2       GLU   5  13.296   0.817   1.095
   28   2HB   GLU   5          HB3       GLU   5  13.561   2.377   1.860
   29   1HG   GLU   5          HG2       GLU   5  15.551   0.847   0.201
   30   2HG   GLU   5          HG3       GLU   5  14.651   2.280  -0.296
   31    H    LEU   6           HN       LEU   6  12.509   2.139   3.271
   32    HA   LEU   6           HA       LEU   6  10.636   2.025   4.555
   33   1HB   LEU   6          HB2       LEU   6  11.100  -0.953   4.634
   34   2HB   LEU   6          HB3       LEU   6   9.582  -0.106   4.861
   35    HG   LEU   6           HG       LEU   6  11.102  -0.034   2.258
   36   1HD1  LEU   6          HD11      LEU   6  10.572  -2.354   2.778
   37   2HD1  LEU   6          HD12      LEU   6   8.892  -1.914   3.089
   38   3HD1  LEU   6          HD13      LEU   6   9.559  -1.760   1.464
   39   1HD2  LEU   6          HD21      LEU   6   8.871   0.564   1.368
   40   2HD2  LEU   6          HD22      LEU   6   8.255   0.606   3.020
   41   3HD2  LEU   6          HD23      LEU   6   9.502   1.749   2.516
   42    H    GLU   7           HN       GLU   7  10.729   2.826   6.541
   43    HA   GLU   7           HA       GLU   7  12.694   2.193   8.434
   44   1HB   GLU   7          HB2       GLU   7  11.323   3.495  10.022
   45   2HB   GLU   7          HB3       GLU   7  11.540   4.321   8.485
   46   1HG   GLU   7          HG2       GLU   7   9.318   3.775   7.800
   47   2HG   GLU   7          HG3       GLU   7   9.091   2.728   9.199
   48    H    GLY   8           HN       GLY   8   9.382   1.011   8.052
   49   1HA   GLY   8          HA1       GLY   8  10.027  -1.349   9.576
   50   2HA   GLY   8          HA2       GLY   8   8.901  -0.280  10.397
   51    H    GLY   9           HN       GLY   9   7.777  -2.526  10.095
   52   1HA   GLY   9          HA1       GLY   9   6.573  -2.890   7.484
   53   2HA   GLY   9          HA2       GLY   9   6.298  -3.879   8.909
   54    H    LYS  10           HN       LYS  10   5.745  -1.332  10.467
   55    HA   LYS  10           HA       LYS  10   2.946  -1.406  10.260
   56   1HB   LYS  10          HB2       LYS  10   4.035  -0.764  12.329
   57   2HB   LYS  10          HB3       LYS  10   4.736   0.653  11.564
   58   1HG   LYS  10          HG2       LYS  10   2.871   1.319  12.916
   59   2HG   LYS  10          HG3       LYS  10   2.463   1.550  11.216
   60   1HD   LYS  10          HD2       LYS  10   0.563   0.582  12.276
   61   2HD   LYS  10          HD3       LYS  10   1.309  -0.677  11.290
   62   1HE   LYS  10          HE2       LYS  10   2.436  -1.546  13.305
   63   2HE   LYS  10          HE3       LYS  10   1.617  -0.317  14.270
   64   1HZ   LYS  10          HZ1       LYS  10   0.452  -2.407  14.409
   65   2HZ   LYS  10          HZ2       LYS  10   0.309  -2.491  12.727
   66   3HZ   LYS  10          HZ3       LYS  10  -0.508  -1.284  13.584
   67    HA   PRO  11           HA       PRO  11   3.230   2.866   7.974
   68   1HB   PRO  11          HB2       PRO  11   5.906   2.821   6.757
   69   2HB   PRO  11          HB3       PRO  11   5.093   4.122   7.634
   70   1HG   PRO  11          HG2       PRO  11   7.168   2.766   8.687
   71   2HG   PRO  11          HG3       PRO  11   5.844   3.381   9.682
   72   1HD   PRO  11          HD2       PRO  11   6.353   0.617   8.724
   73   2HD   PRO  11          HD3       PRO  11   5.751   1.165  10.294
   74    H    LEU  12           HN       LEU  12   4.659  -0.102   6.929
   75    HA   LEU  12           HA       LEU  12   4.424   0.229   4.142
   76   1HB   LEU  12          HB2       LEU  12   5.679  -1.588   5.430
   77   2HB   LEU  12          HB3       LEU  12   4.130  -2.396   5.579
   78    HG   LEU  12           HG       LEU  12   4.020  -2.249   3.011
   79   1HD1  LEU  12          HD11      LEU  12   6.060  -2.035   1.826
   80   2HD1  LEU  12          HD12      LEU  12   5.930  -0.634   2.887
   81   3HD1  LEU  12          HD13      LEU  12   6.997  -1.969   3.318
   82   1HD2  LEU  12          HD21      LEU  12   6.066  -4.017   4.350
   83   2HD2  LEU  12          HD22      LEU  12   4.334  -4.333   4.237
   84   3HD2  LEU  12          HD23      LEU  12   5.324  -4.309   2.776
   85    H    SER  13           HN       SER  13   2.098  -0.249   6.597
   86    HA   SER  13           HA       SER  13   0.065  -1.431   4.963
   87   1HB   SER  13          HB2       SER  13   0.016  -1.731   7.385
   88   2HB   SER  13          HB3       SER  13  -0.126   0.010   7.621
   89    HG   SER  13           HG       SER  13  -2.036  -0.941   5.943
   90    H    GLY  14           HN       GLY  14   1.204   1.760   5.604
   91   1HA   GLY  14          HA1       GLY  14  -1.185   3.024   4.518
   92   2HA   GLY  14          HA2       GLY  14   0.226   3.846   5.167
   93    H    LEU  15           HN       LEU  15   1.387   1.517   3.148
   94    HA   LEU  15           HA       LEU  15   2.441   3.234   1.255
   95   1HB   LEU  15          HB2       LEU  15   2.344   0.449   1.698
   96   2HB   LEU  15          HB3       LEU  15   1.886   0.702   0.028
   97    HG   LEU  15           HG       LEU  15   4.215   0.324   0.017
   98   1HD1  LEU  15          HD11      LEU  15   3.619   2.101  -1.463
   99   2HD1  LEU  15          HD12      LEU  15   3.700   3.285  -0.159
  100   3HD1  LEU  15          HD13      LEU  15   5.169   2.486  -0.720
  101   1HD2  LEU  15          HD21      LEU  15   5.736   1.820   1.400
  102   2HD2  LEU  15          HD22      LEU  15   4.296   2.220   2.335
  103   3HD2  LEU  15          HD23      LEU  15   4.855   0.552   2.245
  104    H    LEU  16           HN       LEU  16  -0.302   1.036   0.770
  105    HA   LEU  16           HA       LEU  16  -1.103   1.947  -1.721
  106   1HB   LEU  16          HB2       LEU  16  -3.033   0.989   0.385
  107   2HB   LEU  16          HB3       LEU  16  -3.173   0.828  -1.352
  108    HG   LEU  16           HG       LEU  16  -2.584  -1.302  -0.884
  109   1HD1  LEU  16          HD11      LEU  16  -0.771  -0.491  -2.274
  110   2HD1  LEU  16          HD12      LEU  16   0.144  -0.021  -0.841
  111   3HD1  LEU  16          HD13      LEU  16  -0.191  -1.723  -1.152
  112   1HD2  LEU  16          HD21      LEU  16  -1.067  -1.929   1.039
  113   2HD2  LEU  16          HD22      LEU  16  -1.167  -0.246   1.549
  114   3HD2  LEU  16          HD23      LEU  16  -2.628  -1.228   1.467
  115    H    ASN  17           HN       ASN  17  -1.379   3.427   1.345
  116    HA   ASN  17           HA       ASN  17  -3.568   5.178   0.666
  117   1HB   ASN  17          HB2       ASN  17  -3.521   4.677   2.936
  118   2HB   ASN  17          HB3       ASN  17  -1.766   4.816   3.034
  119   1HD2  ASN  17          HD21      ASN  17  -0.837   6.838   3.267
  120   2HD2  ASN  17          HD22      ASN  17  -1.753   8.236   3.709
  121    H    ALA  18           HN       ALA  18  -0.137   5.756   1.497
  122    HA   ALA  18           HA       ALA  18  -0.037   8.451   0.813
  123   1HB   ALA  18          HB1       ALA  18   2.091   6.334   0.841
  124   2HB   ALA  18          HB2       ALA  18   2.430   8.034   0.528
  125   3HB   ALA  18          HB3       ALA  18   1.735   7.547   2.071
  126    H    LEU  19           HN       LEU  19   0.324   5.578  -1.171
  127    HA   LEU  19           HA       LEU  19   1.293   6.895  -3.493
  128   1HB   LEU  19          HB2       LEU  19  -0.093   4.234  -3.197
  129   2HB   LEU  19          HB3       LEU  19   0.738   4.785  -4.640
  130    HG   LEU  19           HG       LEU  19   2.096   4.412  -1.973
  131   1HD1  LEU  19          HD11      LEU  19   1.795   2.537  -4.306
  132   2HD1  LEU  19          HD12      LEU  19   3.067   2.374  -3.094
  133   3HD1  LEU  19          HD13      LEU  19   1.374   2.256  -2.614
  134   1HD2  LEU  19          HD21      LEU  19   3.270   5.958  -3.378
  135   2HD2  LEU  19          HD22      LEU  19   4.135   4.421  -3.399
  136   3HD2  LEU  19          HD23      LEU  19   3.122   4.882  -4.768
  137    H    ALA  20           HN       ALA  20  -1.575   7.393  -2.088
  138    HA   ALA  20           HA       ALA  20  -3.300   7.195  -4.396
  139   1HB   ALA  20          HB1       ALA  20  -5.003   8.191  -2.978
  140   2HB   ALA  20          HB2       ALA  20  -4.188   6.878  -2.128
  141   3HB   ALA  20          HB3       ALA  20  -3.792   8.554  -1.747
  142    H    GLN  21           HN       GLN  21  -0.983   8.733  -4.868
  143    HA   GLN  21           HA       GLN  21  -1.408  11.509  -4.632
  144   1HB   GLN  21          HB2       GLN  21   0.796  10.460  -5.072
  145   2HB   GLN  21          HB3       GLN  21   0.247  10.037  -6.687
  146   1HG   GLN  21          HG2       GLN  21  -0.081  12.459  -7.141
  147   2HG   GLN  21          HG3       GLN  21   0.650  12.800  -5.574
  148   1HE2  GLN  21          HE21      GLN  21   2.849  12.360  -5.260
  149   2HE2  GLN  21          HE22      GLN  21   3.932  12.170  -6.594
  150    H    ASP  22           HN       ASP  22  -3.598  11.800  -5.276
  151    HA   ASP  22           HA       ASP  22  -5.324  12.198  -6.712
  152   1HB   ASP  22          HB2       ASP  22  -3.762  14.048  -7.244
  153   2HB   ASP  22          HB3       ASP  22  -3.063  13.064  -8.527
  154    H    THR  23           HN       THR  23  -5.880   9.964  -6.962
  155    HA   THR  23           HA       THR  23  -4.876   8.577  -9.305
  156    HB   THR  23           HB       THR  23  -5.154   7.135  -7.458
  157    HG1  THR  23           HG1      THR  23  -5.895   5.890  -9.027
  158   1HG2  THR  23          HG21      THR  23  -7.489   6.862  -6.435
  159   2HG2  THR  23          HG22      THR  23  -7.847   8.427  -7.164
  160   3HG2  THR  23          HG23      THR  23  -6.555   8.283  -5.973
  161    H    PHE  24           HN       PHE  24  -7.992   9.788  -8.109
  162    HA   PHE  24           HA       PHE  24  -8.861  10.638 -10.649
  163   1HB   PHE  24          HB2       PHE  24  -9.057   8.140 -10.941
  164   2HB   PHE  24          HB3       PHE  24 -10.275   8.150  -9.670
  165    HD1  PHE  24           HD1      PHE  24 -12.498   8.880 -10.097
  166    HD2  PHE  24           HD2      PHE  24  -9.497   9.264 -13.090
  167    HE1  PHE  24           HE1      PHE  24 -14.235   9.380 -11.768
  168    HE2  PHE  24           HE2      PHE  24 -11.227   9.766 -14.765
  169    HZ   PHE  24           HZ       PHE  24 -13.600   9.825 -14.105
  170    H    HIS  25           HN       HIS  25  -9.121  12.406  -9.142
  171    HA   HIS  25           HA       HIS  25 -10.294  13.777  -7.756
  172   1HB   HIS  25          HB2       HIS  25 -11.901  13.506  -9.640
  173   2HB   HIS  25          HB3       HIS  25 -12.662  12.184  -8.762
  174    HD1  HIS  25           HD1      HIS  25 -12.434  15.889  -8.894
  175    HD2  HIS  25           HD2      HIS  25 -14.195  12.972  -6.517
  176    HE1  HIS  25           HE1      HIS  25 -14.094  17.110  -7.453
  177    HE2  HIS  25           HE2      HIS  25 -15.072  15.338  -5.951
  178    H    GLY  26           HN       GLY  26  -9.429  13.010  -5.800
  179   1HA   GLY  26          HA1       GLY  26 -11.407  11.631  -4.137
  180   2HA   GLY  26          HA2       GLY  26  -9.802  10.926  -4.245
  181    H    TYR  27           HN       TYR  27  -9.265  11.205  -2.109
  182    HA   TYR  27           HA       TYR  27  -9.631  13.590  -0.653
  183   1HB   TYR  27          HB2       TYR  27  -9.273  11.423   0.433
  184   2HB   TYR  27          HB3       TYR  27  -7.638  11.358  -0.215
  185    HD1  TYR  27           HD1      TYR  27  -9.834  13.372   2.012
  186    HD2  TYR  27           HD2      TYR  27  -5.856  12.258   0.997
  187    HE1  TYR  27           HE1      TYR  27  -9.004  14.541   4.010
  188    HE2  TYR  27           HE2      TYR  27  -5.014  13.423   2.993
  189    HH   TYR  27           HH       TYR  27  -7.078  14.533   5.480
  190    HA   PRO  28           HA       PRO  28  -6.299  15.834  -2.721
  191   1HB   PRO  28          HB2       PRO  28  -7.111  18.097  -1.071
  192   2HB   PRO  28          HB3       PRO  28  -7.197  17.912  -2.823
  193   1HG   PRO  28          HG2       PRO  28  -9.399  17.966  -1.244
  194   2HG   PRO  28          HG3       PRO  28  -9.323  17.053  -2.762
  195   1HD   PRO  28          HD2       PRO  28  -9.044  16.075   0.056
  196   2HD   PRO  28          HD3       PRO  28  -9.904  15.339  -1.314
  197    H    GLY  29           HN       GLY  29  -4.766  17.693  -1.669
  198   1HA   GLY  29          HA1       GLY  29  -3.292  18.286   0.046
  199   2HA   GLY  29          HA2       GLY  29  -3.972  17.009   1.041
  200    H    ILE  30           HN       ILE  30  -3.639  14.965  -1.022
  201    HA   ILE  30           HA       ILE  30  -1.121  13.992  -0.303
  202    HB   ILE  30           HB       ILE  30  -3.084  12.669  -1.218
  203   1HG1  ILE  30          HG12      ILE  30  -1.499  11.086  -2.521
  204   2HG1  ILE  30          HG13      ILE  30  -0.242  12.249  -2.109
  205   1HG2  ILE  30          HG21      ILE  30  -1.928  13.539  -3.861
  206   2HG2  ILE  30          HG22      ILE  30  -3.184  12.324  -3.630
  207   3HG2  ILE  30          HG23      ILE  30  -3.498  14.007  -3.209
  208   1HD1  ILE  30          HD11      ILE  30  -0.354  10.350  -0.543
  209   2HD1  ILE  30          HD12      ILE  30  -0.646  11.901   0.245
  210   3HD1  ILE  30          HD13      ILE  30  -1.996  10.829  -0.116
  211    H    THR  31           HN       THR  31   0.874  14.110  -1.185
  212    HA   THR  31           HA       THR  31   1.251  15.394  -3.780
  213    HB   THR  31           HB       THR  31   2.696  16.395  -1.316
  214    HG1  THR  31           HG1      THR  31   1.164  17.854  -1.125
  215   1HG2  THR  31          HG21      THR  31   2.661  17.324  -4.188
  216   2HG2  THR  31          HG22      THR  31   4.035  16.677  -3.290
  217   3HG2  THR  31          HG23      THR  31   3.358  18.247  -2.858
  218    H    GLU  32           HN       GLU  32   3.460  15.126  -4.600
  219    HA   GLU  32           HA       GLU  32   4.416  12.546  -4.374
  220   1HB   GLU  32          HB2       GLU  32   4.940  14.069  -6.240
  221   2HB   GLU  32          HB3       GLU  32   5.985  15.002  -5.179
  222   1HG   GLU  32          HG2       GLU  32   7.442  13.075  -4.897
  223   2HG   GLU  32          HG3       GLU  32   6.387  12.116  -5.936
  224    H    GLU  33           HN       GLU  33   5.675  15.467  -2.776
  225    HA   GLU  33           HA       GLU  33   7.641  13.959  -1.301
  226   1HB   GLU  33          HB2       GLU  33   8.077  16.276  -2.002
  227   2HB   GLU  33          HB3       GLU  33   6.737  16.833  -1.012
  228   1HG   GLU  33          HG2       GLU  33   7.903  16.073   0.995
  229   2HG   GLU  33          HG3       GLU  33   9.244  15.509   0.000
  230    H    LEU  34           HN       LEU  34   4.361  14.523  -0.986
  231    HA   LEU  34           HA       LEU  34   4.253  14.572   1.900
  232   1HB   LEU  34          HB2       LEU  34   2.617  15.754   0.440
  233   2HB   LEU  34          HB3       LEU  34   2.040  14.200  -0.120
  234    HG   LEU  34           HG       LEU  34   0.647  15.396   1.639
  235   1HD1  LEU  34          HD11      LEU  34   1.539  12.614   2.352
  236   2HD1  LEU  34          HD12      LEU  34  -0.027  13.359   2.674
  237   3HD1  LEU  34          HD13      LEU  34   0.453  12.995   1.016
  238   1HD2  LEU  34          HD21      LEU  34   2.808  14.382   3.477
  239   2HD2  LEU  34          HD22      LEU  34   2.548  16.076   3.061
  240   3HD2  LEU  34          HD23      LEU  34   1.309  15.185   3.943
  241    H    LEU  35           HN       LEU  35   3.384  12.269  -0.669
  242    HA   LEU  35           HA       LEU  35   2.399  10.208   0.847
  243   1HB   LEU  35          HB2       LEU  35   2.729   8.861  -1.037
  244   2HB   LEU  35          HB3       LEU  35   2.485  10.468  -1.667
  245    HG   LEU  35           HG       LEU  35   5.161  10.465  -1.571
  246   1HD1  LEU  35          HD11      LEU  35   4.384   7.583  -1.995
  247   2HD1  LEU  35          HD12      LEU  35   5.969   8.267  -2.356
  248   3HD1  LEU  35          HD13      LEU  35   5.383   8.230  -0.694
  249   1HD2  LEU  35          HD21      LEU  35   3.780  10.974  -3.516
  250   2HD2  LEU  35          HD22      LEU  35   5.117   9.907  -3.950
  251   3HD2  LEU  35          HD23      LEU  35   3.489   9.252  -3.768
  252    H    ARG  36           HN       ARG  36   5.706  11.164   0.300
  253    HA   ARG  36           HA       ARG  36   6.885   8.802   1.428
  254   1HB   ARG  36          HB2       ARG  36   8.294   9.848  -0.083
  255   2HB   ARG  36          HB3       ARG  36   7.857  11.459   0.461
  256   1HG   ARG  36          HG2       ARG  36   9.095  10.882   2.614
  257   2HG   ARG  36          HG3       ARG  36   9.754   9.511   1.718
  258   1HD   ARG  36          HD2       ARG  36  10.807  10.928   0.148
  259   2HD   ARG  36          HD3       ARG  36   9.916  12.339   0.712
  260    HE   ARG  36           HE       ARG  36  11.655  11.075   2.660
  261   1HH1  ARG  36          HH12      ARG  36  11.269  13.576   0.263
  262   2HH1  ARG  36          HH11      ARG  36  12.563  14.545   0.883
  263   1HH2  ARG  36          HH22      ARG  36  13.359  12.344   3.480
  264   2HH2  ARG  36          HH21      ARG  36  13.753  13.845   2.709
  265    H    SER  37           HN       SER  37   6.569  12.167   2.468
  266    HA   SER  37           HA       SER  37   7.732  11.902   4.983
  267   1HB   SER  37          HB2       SER  37   6.606  14.027   5.522
  268   2HB   SER  37          HB3       SER  37   7.348  14.065   3.923
  269    HG   SER  37           HG       SER  37   4.691  14.185   4.644
  270    H    GLN  38           HN       GLN  38   4.606  10.856   3.922
  271    HA   GLN  38           HA       GLN  38   3.493  10.879   6.603
  272   1HB   GLN  38          HB2       GLN  38   2.423  10.051   3.920
  273   2HB   GLN  38          HB3       GLN  38   1.557   9.690   5.407
  274   1HG   GLN  38          HG2       GLN  38   2.340  12.435   4.458
  275   2HG   GLN  38          HG3       GLN  38   0.734  11.720   4.336
  276   1HE2  GLN  38          HE21      GLN  38   1.658  14.133   5.738
  277   2HE2  GLN  38          HE22      GLN  38   1.183  13.927   7.386
  278    H    LEU  39           HN       LEU  39   5.543   8.797   4.968
  279    HA   LEU  39           HA       LEU  39   4.885   6.666   6.845
  280   1HB   LEU  39          HB2       LEU  39   5.023   6.211   3.869
  281   2HB   LEU  39          HB3       LEU  39   4.919   4.947   5.079
  282    HG   LEU  39           HG       LEU  39   2.803   7.067   4.887
  283   1HD1  LEU  39          HD11      LEU  39   3.268   5.826   2.677
  284   2HD1  LEU  39          HD12      LEU  39   2.566   4.431   3.497
  285   3HD1  LEU  39          HD13      LEU  39   1.611   5.901   3.278
  286   1HD2  LEU  39          HD21      LEU  39   1.558   5.693   6.225
  287   2HD2  LEU  39          HD22      LEU  39   2.358   4.229   5.655
  288   3HD2  LEU  39          HD23      LEU  39   3.177   5.291   6.800
  289    H    TYR  40           HN       TYR  40   6.904   6.850   3.917
  290    HA   TYR  40           HA       TYR  40   9.173   5.935   5.536
  291   1HB   TYR  40          HB2       TYR  40  10.093   5.708   3.014
  292   2HB   TYR  40          HB3       TYR  40   9.190   4.442   3.829
  293    HD1  TYR  40           HD1      TYR  40   6.951   3.876   3.152
  294    HD2  TYR  40           HD2      TYR  40   9.012   7.112   1.300
  295    HE1  TYR  40           HE1      TYR  40   5.258   3.928   1.370
  296    HE2  TYR  40           HE2      TYR  40   7.324   7.165  -0.485
  297    HH   TYR  40           HH       TYR  40   4.369   5.527  -0.280
  298    HA   PRO  41           HA       PRO  41  10.438  10.277   4.811
  299   1HB   PRO  41          HB2       PRO  41  11.763  10.614   7.121
  300   2HB   PRO  41          HB3       PRO  41   9.998  10.694   7.049
  301   1HG   PRO  41          HG2       PRO  41  11.755   8.418   7.895
  302   2HG   PRO  41          HG3       PRO  41  10.284   9.040   8.669
  303   1HD   PRO  41          HD2       PRO  41  10.305   6.848   7.051
  304   2HD   PRO  41          HD3       PRO  41   8.900   7.920   7.219
  305    H    GLU  42           HN       GLU  42  12.153   7.356   5.461
  306    HA   GLU  42           HA       GLU  42  14.786   8.432   5.094
  307   1HB   GLU  42          HB2       GLU  42  15.482   6.045   5.002
  308   2HB   GLU  42          HB3       GLU  42  14.554   6.454   6.439
  309   1HG   GLU  42          HG2       GLU  42  12.573   5.446   5.479
  310   2HG   GLU  42          HG3       GLU  42  13.449   5.098   3.990
  311    H    VAL  43           HN       VAL  43  12.373   6.876   3.056
  312    HA   VAL  43           HA       VAL  43  14.183   6.785   0.794
  313    HB   VAL  43           HB       VAL  43  11.532   5.675   1.418
  314   1HG1  VAL  43          HG11      VAL  43  10.792   7.109  -0.375
  315   2HG1  VAL  43          HG12      VAL  43  12.148   6.610  -1.386
  316   3HG1  VAL  43          HG13      VAL  43  10.885   5.453  -0.970
  317   1HG2  VAL  43          HG21      VAL  43  12.375   3.823   0.120
  318   2HG2  VAL  43          HG22      VAL  43  13.711   4.818  -0.470
  319   3HG2  VAL  43          HG23      VAL  43  13.620   4.386   1.237
  320    HA   PRO  44           HA       PRO  44  12.956  10.814  -0.532
  321   1HB   PRO  44          HB2       PRO  44  14.037  10.851  -2.998
  322   2HB   PRO  44          HB3       PRO  44  15.030  10.913  -1.538
  323   1HG   PRO  44          HG2       PRO  44  14.418   8.591  -3.315
  324   2HG   PRO  44          HG3       PRO  44  15.955   9.046  -2.559
  325   1HD   PRO  44          HD2       PRO  44  14.281   7.107  -1.578
  326   2HD   PRO  44          HD3       PRO  44  15.413   8.037  -0.576
  327    HA   PRO  45           HA       PRO  45   9.226  10.339  -2.863
  328   1HB   PRO  45          HB2       PRO  45   9.578  13.018  -4.004
  329   2HB   PRO  45          HB3       PRO  45   8.362  12.437  -2.865
  330   1HG   PRO  45          HG2       PRO  45  10.302  14.134  -2.111
  331   2HG   PRO  45          HG3       PRO  45   9.682  12.876  -1.021
  332   1HD   PRO  45          HD2       PRO  45  12.180  12.873  -2.687
  333   2HD   PRO  45          HD3       PRO  45  11.962  12.380  -0.993
  334    H    GLU  46           HN       GLU  46  11.965   9.840  -4.244
  335    HA   GLU  46           HA       GLU  46  10.886   9.874  -6.973
  336   1HB   GLU  46          HB2       GLU  46  12.493  11.720  -6.759
  337   2HB   GLU  46          HB3       GLU  46  13.719  10.591  -6.200
  338   1HG   GLU  46          HG2       GLU  46  13.638   9.444  -8.360
  339   2HG   GLU  46          HG3       GLU  46  12.426  10.597  -8.918
  340    H    GLU  47           HN       GLU  47  13.301   8.503  -4.761
  341    HA   GLU  47           HA       GLU  47  13.654   6.197  -6.498
  342   1HB   GLU  47          HB2       GLU  47  14.920   6.902  -3.848
  343   2HB   GLU  47          HB3       GLU  47  15.320   5.478  -4.797
  344   1HG   GLU  47          HG2       GLU  47  16.074   6.912  -6.627
  345   2HG   GLU  47          HG3       GLU  47  15.679   8.337  -5.669
  346    H    PHE  48           HN       PHE  48  11.109   6.805  -5.002
  347    HA   PHE  48           HA       PHE  48  10.875   4.681  -3.073
  348   1HB   PHE  48          HB2       PHE  48   8.556   5.358  -2.868
  349   2HB   PHE  48          HB3       PHE  48   9.591   6.780  -2.844
  350    HD1  PHE  48           HD1      PHE  48   9.778   8.179  -4.916
  351    HD2  PHE  48           HD2      PHE  48   6.863   5.109  -4.483
  352    HE1  PHE  48           HE1      PHE  48   8.467   9.171  -6.745
  353    HE2  PHE  48           HE2      PHE  48   5.547   6.096  -6.313
  354    HZ   PHE  48           HZ       PHE  48   6.326   8.120  -7.436
  355    H    ARG  49           HN       ARG  49  10.509   5.003  -6.448
  356    HA   ARG  49           HA       ARG  49   8.572   3.032  -6.969
  357   1HB   ARG  49          HB2       ARG  49  10.841   3.895  -8.747
  358   2HB   ARG  49          HB3       ARG  49   9.361   3.098  -9.257
  359   1HG   ARG  49          HG2       ARG  49   9.315   5.741  -7.851
  360   2HG   ARG  49          HG3       ARG  49   9.538   5.622  -9.598
  361   1HD   ARG  49          HD2       ARG  49   7.209   4.507  -8.037
  362   2HD   ARG  49          HD3       ARG  49   7.188   5.990  -8.990
  363    HE   ARG  49           HE       ARG  49   8.001   3.750 -10.546
  364   1HH1  ARG  49          HH12      ARG  49   5.210   5.336  -9.189
  365   2HH1  ARG  49          HH11      ARG  49   4.122   4.728 -10.390
  366   1HH2  ARG  49          HH22      ARG  49   6.576   2.947 -12.130
  367   2HH2  ARG  49          HH21      ARG  49   4.897   3.368 -12.060
  368    HA   PRO  50           HA       PRO  50  12.564   0.161  -7.864
  369   1HB   PRO  50          HB2       PRO  50  14.165   0.590  -5.541
  370   2HB   PRO  50          HB3       PRO  50  14.613   0.847  -7.227
  371   1HG   PRO  50          HG2       PRO  50  13.716   2.787  -5.201
  372   2HG   PRO  50          HG3       PRO  50  14.703   3.046  -6.648
  373   1HD   PRO  50          HD2       PRO  50  12.144   3.885  -6.477
  374   2HD   PRO  50          HD3       PRO  50  12.856   3.332  -8.006
  375    H    PHE  51           HN       PHE  51  11.466   1.120  -4.609
  376    HA   PHE  51           HA       PHE  51  11.321  -1.676  -3.850
  377   1HB   PHE  51          HB2       PHE  51  10.940  -0.974  -1.683
  378   2HB   PHE  51          HB3       PHE  51  11.995   0.277  -2.292
  379    HD1  PHE  51           HD1      PHE  51   8.425  -0.525  -1.657
  380    HD2  PHE  51           HD2      PHE  51  11.371   2.517  -2.092
  381    HE1  PHE  51           HE1      PHE  51   6.778   1.169  -0.978
  382    HE2  PHE  51           HE2      PHE  51   9.729   4.213  -1.403
  383    HZ   PHE  51           HZ       PHE  51   7.476   3.528  -0.716
  384    H    LEU  52           HN       LEU  52   9.272   0.956  -4.768
  385    HA   LEU  52           HA       LEU  52   6.764  -0.065  -4.155
  386   1HB   LEU  52          HB2       LEU  52   7.740   2.161  -5.476
  387   2HB   LEU  52          HB3       LEU  52   6.851   1.318  -6.725
  388    HG   LEU  52           HG       LEU  52   5.824   2.505  -4.166
  389   1HD1  LEU  52          HD11      LEU  52   5.839   3.981  -6.043
  390   2HD1  LEU  52          HD12      LEU  52   5.086   2.760  -7.071
  391   3HD1  LEU  52          HD13      LEU  52   4.173   3.480  -5.747
  392   1HD2  LEU  52          HD21      LEU  52   4.803   0.399  -4.090
  393   2HD2  LEU  52          HD22      LEU  52   3.615   1.452  -4.856
  394   3HD2  LEU  52          HD23      LEU  52   4.579   0.350  -5.836
  395    H    ALA  53           HN       ALA  53   9.010  -0.971  -6.636
  396    HA   ALA  53           HA       ALA  53   7.346  -2.133  -8.534
  397   1HB   ALA  53          HB1       ALA  53   9.750  -1.868  -8.859
  398   2HB   ALA  53          HB2       ALA  53  10.060  -3.089  -7.626
  399   3HB   ALA  53          HB3       ALA  53   9.260  -3.540  -9.131
  400    H    LYS  54           HN       LYS  54   8.106  -3.096  -5.337
  401    HA   LYS  54           HA       LYS  54   6.847  -5.721  -5.716
  402   1HB   LYS  54          HB2       LYS  54   8.688  -4.631  -3.596
  403   2HB   LYS  54          HB3       LYS  54   7.823  -6.151  -3.398
  404   1HG   LYS  54          HG2       LYS  54   8.942  -7.081  -5.328
  405   2HG   LYS  54          HG3       LYS  54   9.743  -5.541  -5.638
  406   1HD   LYS  54          HD2       LYS  54  10.080  -7.145  -3.107
  407   2HD   LYS  54          HD3       LYS  54  11.173  -7.237  -4.489
  408   1HE   LYS  54          HE2       LYS  54  11.662  -4.852  -4.262
  409   2HE   LYS  54          HE3       LYS  54  10.562  -4.755  -2.888
  410   1HZ   LYS  54          HZ1       LYS  54  11.975  -6.273  -1.674
  411   2HZ   LYS  54          HZ2       LYS  54  12.880  -4.944  -2.198
  412   3HZ   LYS  54          HZ3       LYS  54  13.014  -6.426  -3.001
  413    H    MET  55           HN       MET  55   6.264  -2.621  -4.563
  414    HA   MET  55           HA       MET  55   4.026  -3.552  -2.878
  415   1HB   MET  55          HB2       MET  55   5.760  -1.085  -2.643
  416   2HB   MET  55          HB3       MET  55   4.240  -1.278  -1.772
  417   1HG   MET  55          HG2       MET  55   5.959  -1.866  -0.273
  418   2HG   MET  55          HG3       MET  55   5.197  -3.374  -0.771
  419   1HE   MET  55          HE1       MET  55   9.003  -4.283  -0.232
  420   2HE   MET  55          HE2       MET  55   8.140  -3.016   0.641
  421   3HE   MET  55          HE3       MET  55   7.351  -4.561   0.322
  422    H    ARG  56           HN       ARG  56   4.275  -2.858  -5.852
  423    HA   ARG  56           HA       ARG  56   2.406  -0.604  -6.004
  424   1HB   ARG  56          HB2       ARG  56   2.903  -0.592  -8.412
  425   2HB   ARG  56          HB3       ARG  56   4.363  -0.444  -7.444
  426   1HG   ARG  56          HG2       ARG  56   4.807  -2.838  -7.783
  427   2HG   ARG  56          HG3       ARG  56   3.370  -2.942  -8.802
  428   1HD   ARG  56          HD2       ARG  56   5.732  -1.144  -9.328
  429   2HD   ARG  56          HD3       ARG  56   5.479  -2.716 -10.086
  430    HE   ARG  56           HE       ARG  56   3.277  -0.899 -10.427
  431   1HH1  ARG  56          HH12      ARG  56   6.352  -1.949 -11.686
  432   2HH1  ARG  56          HH11      ARG  56   6.037  -1.378 -13.290
  433   1HH2  ARG  56          HH22      ARG  56   2.852  -0.142 -12.537
  434   2HH2  ARG  56          HH21      ARG  56   4.049  -0.345 -13.772
  435    H    GLY  57           HN       GLY  57   2.690  -4.025  -6.746
  436   1HA   GLY  57          HA1       GLY  57   0.504  -4.444  -8.372
  437   2HA   GLY  57          HA2       GLY  57   1.066  -5.598  -7.171
  438    H    ILE  58           HN       ILE  58   0.530  -3.488  -5.062
  439    HA   ILE  58           HA       ILE  58  -2.271  -4.188  -4.670
  440    HB   ILE  58           HB       ILE  58  -0.490  -2.721  -2.741
  441   1HG1  ILE  58          HG12      ILE  58  -0.683  -5.424  -1.981
  442   2HG1  ILE  58          HG13      ILE  58  -0.254  -5.430  -3.687
  443   1HG2  ILE  58          HG21      ILE  58  -2.990  -4.366  -2.419
  444   2HG2  ILE  58          HG22      ILE  58  -2.011  -3.776  -1.077
  445   3HG2  ILE  58          HG23      ILE  58  -2.807  -2.631  -2.157
  446   1HD1  ILE  58          HD11      ILE  58   1.653  -3.976  -3.201
  447   2HD1  ILE  58          HD12      ILE  58   1.228  -4.004  -1.489
  448   3HD1  ILE  58          HD13      ILE  58   1.727  -5.490  -2.300
  449    H    LEU  59           HN       LEU  59  -0.215  -1.372  -5.136
  450    HA   LEU  59           HA       LEU  59  -2.114   0.601  -4.462
  451   1HB   LEU  59          HB2       LEU  59   0.249   1.116  -4.591
  452   2HB   LEU  59          HB3       LEU  59   0.285   0.728  -6.297
  453    HG   LEU  59           HG       LEU  59   0.269   3.209  -5.558
  454   1HD1  LEU  59          HD11      LEU  59  -1.706   2.323  -7.648
  455   2HD1  LEU  59          HD12      LEU  59  -0.853   3.864  -7.569
  456   3HD1  LEU  59          HD13      LEU  59   0.043   2.376  -7.875
  457   1HD2  LEU  59          HD21      LEU  59  -2.682   2.623  -5.386
  458   2HD2  LEU  59          HD22      LEU  59  -1.637   3.005  -4.018
  459   3HD2  LEU  59          HD23      LEU  59  -1.916   4.206  -5.278
  460    H    LYS  60           HN       LYS  60  -1.142  -0.655  -7.658
  461    HA   LYS  60           HA       LYS  60  -3.078   0.815  -9.096
  462   1HB   LYS  60          HB2       LYS  60  -2.572  -0.718 -10.955
  463   2HB   LYS  60          HB3       LYS  60  -1.113  -0.102 -10.196
  464   1HG   LYS  60          HG2       LYS  60  -0.528  -2.282 -10.366
  465   2HG   LYS  60          HG3       LYS  60  -1.345  -2.349  -8.803
  466   1HD   LYS  60          HD2       LYS  60  -3.408  -3.064  -9.925
  467   2HD   LYS  60          HD3       LYS  60  -2.575  -3.012 -11.479
  468   1HE   LYS  60          HE2       LYS  60  -1.870  -4.787  -9.144
  469   2HE   LYS  60          HE3       LYS  60  -2.703  -5.292 -10.613
  470   1HZ   LYS  60          HZ1       LYS  60   0.060  -4.208 -10.483
  471   2HZ   LYS  60          HZ2       LYS  60  -0.738  -4.706 -11.888
  472   3HZ   LYS  60          HZ3       LYS  60  -0.352  -5.836 -10.691
  473    H    SER  61           HN       SER  61  -3.333  -1.932  -7.114
  474    HA   SER  61           HA       SER  61  -5.674  -3.024  -8.411
  475   1HB   SER  61          HB2       SER  61  -3.979  -4.438  -7.219
  476   2HB   SER  61          HB3       SER  61  -4.538  -3.732  -5.701
  477    HG   SER  61           HG       SER  61  -5.915  -5.426  -7.484
  478    H    ILE  62           HN       ILE  62  -4.966  -1.208  -5.445
  479    HA   ILE  62           HA       ILE  62  -7.758  -1.138  -4.694
  480    HB   ILE  62           HB       ILE  62  -5.377   0.250  -3.463
  481   1HG1  ILE  62          HG12      ILE  62  -6.888  -2.218  -2.570
  482   2HG1  ILE  62          HG13      ILE  62  -5.324  -2.237  -3.378
  483   1HG2  ILE  62          HG21      ILE  62  -7.415   1.447  -2.952
  484   2HG2  ILE  62          HG22      ILE  62  -8.207  -0.051  -2.464
  485   3HG2  ILE  62          HG23      ILE  62  -6.860   0.583  -1.518
  486   1HD1  ILE  62          HD11      ILE  62  -5.073  -2.536  -0.990
  487   2HD1  ILE  62          HD12      ILE  62  -4.348  -1.013  -1.504
  488   3HD1  ILE  62          HD13      ILE  62  -5.914  -1.015  -0.693
  489    H    ALA  63           HN       ALA  63  -5.350   1.193  -5.873
  490    HA   ALA  63           HA       ALA  63  -7.278   3.345  -5.858
  491   1HB   ALA  63          HB1       ALA  63  -5.456   4.730  -6.666
  492   2HB   ALA  63          HB2       ALA  63  -4.942   3.767  -5.281
  493   3HB   ALA  63          HB3       ALA  63  -4.456   3.297  -6.910
  494    H    SER  64           HN       SER  64  -5.242   1.961  -8.449
  495    HA   SER  64           HA       SER  64  -6.718   3.222 -10.514
  496   1HB   SER  64          HB2       SER  64  -4.376   2.613 -10.807
  497   2HB   SER  64          HB3       SER  64  -4.783   0.904 -10.659
  498    HG   SER  64           HG       SER  64  -4.598   1.570 -12.845
  499    H    ALA  65           HN       ALA  65  -6.859  -0.049  -9.150
  500    HA   ALA  65           HA       ALA  65  -8.934  -0.750 -11.090
  501   1HB   ALA  65          HB1       ALA  65  -7.163  -2.373 -10.781
  502   2HB   ALA  65          HB2       ALA  65  -7.518  -2.464  -9.057
  503   3HB   ALA  65          HB3       ALA  65  -8.702  -3.035 -10.232
  504    H    ASP  66           HN       ASP  66  -8.481  -0.357  -7.608
  505    HA   ASP  66           HA       ASP  66  -9.950  -0.190  -5.880
  506   1HB   ASP  66          HB2       ASP  66 -10.826   1.695  -7.165
  507   2HB   ASP  66          HB3       ASP  66 -11.862   0.608  -8.087
  508    H    MET  67           HN       MET  67 -10.125  -2.224  -5.115
  509    HA   MET  67           HA       MET  67 -12.115  -4.004  -6.337
  510   1HB   MET  67          HB2       MET  67  -9.880  -4.628  -4.401
  511   2HB   MET  67          HB3       MET  67 -10.987  -5.806  -5.094
  512   1HG   MET  67          HG2       MET  67  -9.053  -4.101  -6.646
  513   2HG   MET  67          HG3       MET  67  -8.814  -5.793  -6.217
  514   1HE   MET  67          HE1       MET  67  -8.527  -4.754  -9.159
  515   2HE   MET  67          HE2       MET  67  -8.382  -6.466  -8.761
  516   3HE   MET  67          HE3       MET  67  -9.435  -5.953 -10.081
  517    H    ASP  68           HN       ASP  68 -12.774  -5.673  -4.346
  518    HA   ASP  68           HA       ASP  68 -14.147  -3.908  -2.439
  519   1HB   ASP  68          HB2       ASP  68 -14.917  -6.638  -3.482
  520   2HB   ASP  68          HB3       ASP  68 -15.788  -5.783  -2.213
  521    H    PHE  69           HN       PHE  69 -13.811  -7.405  -2.148
  522    HA   PHE  69           HA       PHE  69 -11.953  -7.068   0.089
  523   1HB   PHE  69          HB2       PHE  69 -14.566  -8.577   0.303
  524   2HB   PHE  69          HB3       PHE  69 -13.320  -8.500   1.546
  525    HD1  PHE  69           HD1      PHE  69 -16.198  -6.911   0.113
  526    HD2  PHE  69           HD2      PHE  69 -12.807  -6.282   2.606
  527    HE1  PHE  69           HE1      PHE  69 -17.258  -4.892   1.037
  528    HE2  PHE  69           HE2      PHE  69 -13.862  -4.262   3.536
  529    HZ   PHE  69           HZ       PHE  69 -16.090  -3.565   2.752
  530    H    ASN  70           HN       ASN  70 -13.945  -9.797  -1.006
  531    HA   ASN  70           HA       ASN  70 -11.941 -11.715  -0.798
  532   1HB   ASN  70          HB2       ASN  70 -13.395 -13.136  -2.192
  533   2HB   ASN  70          HB3       ASN  70 -14.307 -12.296  -0.942
  534   1HD2  ASN  70          HD21      ASN  70 -15.737 -10.681  -1.516
  535   2HD2  ASN  70          HD22      ASN  70 -16.268 -10.447  -3.143
  536    H    GLN  71           HN       GLN  71 -12.485  -9.354  -3.233
  537    HA   GLN  71           HA       GLN  71 -11.225 -10.632  -5.414
  538   1HB   GLN  71          HB2       GLN  71 -11.535  -7.693  -4.784
  539   2HB   GLN  71          HB3       GLN  71 -10.989  -8.331  -6.328
  540   1HG   GLN  71          HG2       GLN  71 -13.134  -9.490  -6.591
  541   2HG   GLN  71          HG3       GLN  71 -13.680  -8.801  -5.063
  542   1HE2  GLN  71          HE21      GLN  71 -14.772  -8.503  -7.759
  543   2HE2  GLN  71          HE22      GLN  71 -14.785  -6.806  -8.081
  544    H    LEU  72           HN       LEU  72  -9.995  -8.347  -2.978
  545    HA   LEU  72           HA       LEU  72  -7.312  -8.459  -3.969
  546   1HB   LEU  72          HB2       LEU  72  -8.446  -7.424  -1.370
  547   2HB   LEU  72          HB3       LEU  72  -6.760  -7.294  -1.822
  548    HG   LEU  72           HG       LEU  72  -9.083  -6.001  -3.237
  549   1HD1  LEU  72          HD11      LEU  72  -8.357  -5.094  -1.007
  550   2HD1  LEU  72          HD12      LEU  72  -6.802  -4.721  -1.753
  551   3HD1  LEU  72          HD13      LEU  72  -8.276  -3.958  -2.356
  552   1HD2  LEU  72          HD21      LEU  72  -7.384  -6.615  -4.847
  553   2HD2  LEU  72          HD22      LEU  72  -7.331  -4.874  -4.568
  554   3HD2  LEU  72          HD23      LEU  72  -6.124  -5.924  -3.824
  555    H    GLU  73           HN       GLU  73  -9.151 -10.178  -1.554
  556    HA   GLU  73           HA       GLU  73  -7.139 -11.292  -0.012
  557   1HB   GLU  73          HB2       GLU  73  -9.554 -11.496   0.465
  558   2HB   GLU  73          HB3       GLU  73  -9.713 -12.622  -0.875
  559   1HG   GLU  73          HG2       GLU  73  -8.245 -14.196   0.245
  560   2HG   GLU  73          HG3       GLU  73  -8.018 -13.059   1.573
  561    H    ALA  74           HN       ALA  74  -8.147 -12.088  -3.250
  562    HA   ALA  74           HA       ALA  74  -6.682 -14.580  -3.319
  563   1HB   ALA  74          HB1       ALA  74  -7.371 -14.682  -5.663
  564   2HB   ALA  74          HB2       ALA  74  -8.742 -14.353  -4.603
  565   3HB   ALA  74          HB3       ALA  74  -8.022 -13.046  -5.543
  566    H    PHE  75           HN       PHE  75  -6.104 -11.247  -4.079
  567    HA   PHE  75           HA       PHE  75  -3.869 -11.715  -5.806
  568   1HB   PHE  75          HB2       PHE  75  -5.104  -9.665  -6.058
  569   2HB   PHE  75          HB3       PHE  75  -4.806  -9.224  -4.380
  570    HD1  PHE  75           HD1      PHE  75  -2.804  -8.155  -3.733
  571    HD2  PHE  75           HD2      PHE  75  -3.228  -9.679  -7.685
  572    HE1  PHE  75           HE1      PHE  75  -0.771  -6.947  -4.412
  573    HE2  PHE  75           HE2      PHE  75  -1.194  -8.474  -8.369
  574    HZ   PHE  75           HZ       PHE  75   0.060  -7.149  -6.732
  575    H    LEU  76           HN       LEU  76  -4.233 -10.769  -2.405
  576    HA   LEU  76           HA       LEU  76  -1.552 -10.378  -1.788
  577   1HB   LEU  76          HB2       LEU  76  -3.866 -10.255  -0.397
  578   2HB   LEU  76          HB3       LEU  76  -3.194 -11.733   0.263
  579    HG   LEU  76           HG       LEU  76  -2.633  -9.791   1.640
  580   1HD1  LEU  76          HD11      LEU  76  -0.220 -10.130   1.778
  581   2HD1  LEU  76          HD12      LEU  76  -1.078 -11.661   1.591
  582   3HD1  LEU  76          HD13      LEU  76  -0.243 -10.942   0.213
  583   1HD2  LEU  76          HD21      LEU  76  -2.069  -8.615  -0.916
  584   2HD2  LEU  76          HD22      LEU  76  -2.223  -7.844   0.662
  585   3HD2  LEU  76          HD23      LEU  76  -0.665  -8.487   0.142
  586    H    THR  77           HN       THR  77  -3.382 -13.337  -2.163
  587    HA   THR  77           HA       THR  77  -1.613 -15.139  -0.960
  588    HB   THR  77           HB       THR  77  -3.347 -15.628  -3.393
  589    HG1  THR  77           HG1      THR  77  -3.984 -16.234  -0.694
  590   1HG2  THR  77          HG21      THR  77  -1.683 -17.383  -3.060
  591   2HG2  THR  77          HG22      THR  77  -3.296 -17.977  -2.666
  592   3HG2  THR  77          HG23      THR  77  -2.175 -17.546  -1.375
  593    H    ALA  78           HN       ALA  78  -1.625 -13.630  -4.119
  594    HA   ALA  78           HA       ALA  78   0.435 -15.197  -5.278
  595   1HB   ALA  78          HB1       ALA  78  -0.543 -12.420  -5.954
  596   2HB   ALA  78          HB2       ALA  78   0.563 -13.371  -6.947
  597   3HB   ALA  78          HB3       ALA  78  -1.086 -13.936  -6.675
  598    H    GLN  79           HN       GLN  79   0.396 -12.246  -3.357
  599    HA   GLN  79           HA       GLN  79   3.138 -11.604  -3.737
  600   1HB   GLN  79          HB2       GLN  79   1.301 -10.836  -1.466
  601   2HB   GLN  79          HB3       GLN  79   2.848 -10.087  -1.833
  602   1HG   GLN  79          HG2       GLN  79   1.510  -9.866  -4.207
  603   2HG   GLN  79          HG3       GLN  79   0.223  -9.656  -3.020
  604   1HE2  GLN  79          HE21      GLN  79   2.088  -8.526  -1.040
  605   2HE2  GLN  79          HE22      GLN  79   2.399  -6.911  -1.565
  606    H    THR  80           HN       THR  80   4.570 -11.424  -1.664
  607    HA   THR  80           HA       THR  80   6.037 -12.689  -0.447
  608    HB   THR  80           HB       THR  80   4.493 -11.919   1.272
  609    HG1  THR  80           HG1      THR  80   5.029 -13.509   2.807
  610   1HG2  THR  80          HG21      THR  80   2.708 -13.396   2.119
  611   2HG2  THR  80          HG22      THR  80   3.000 -14.497   0.772
  612   3HG2  THR  80          HG23      THR  80   2.405 -12.865   0.465
  613    H    LYS  81           HN       LYS  81   4.922 -14.059  -2.767
  614    HA   LYS  81           HA       LYS  81   5.726 -16.755  -2.049
  615   1HB   LYS  81          HB2       LYS  81   3.021 -16.071  -3.195
  616   2HB   LYS  81          HB3       LYS  81   3.734 -17.667  -3.376
  617   1HG   LYS  81          HG2       LYS  81   3.924 -17.719  -0.852
  618   2HG   LYS  81          HG3       LYS  81   2.903 -16.281  -0.846
  619   1HD   LYS  81          HD2       LYS  81   1.173 -17.531  -2.077
  620   2HD   LYS  81          HD3       LYS  81   2.193 -18.970  -2.018
  621   1HE   LYS  81          HE2       LYS  81   0.487 -19.029  -0.275
  622   2HE   LYS  81          HE3       LYS  81   2.106 -18.942   0.420
  623   1HZ   LYS  81          HZ1       LYS  81   0.249 -16.648   0.091
  624   2HZ   LYS  81          HZ2       LYS  81   1.793 -16.578   0.776
  625   3HZ   LYS  81          HZ3       LYS  81   0.567 -17.454   1.543
  626    H    LYS  82           HN       LYS  82   5.185 -14.228  -4.325
  627    HA   LYS  82           HA       LYS  82   5.919 -15.688  -6.670
  628   1HB   LYS  82          HB2       LYS  82   6.172 -13.356  -7.646
  629   2HB   LYS  82          HB3       LYS  82   4.577 -13.789  -7.044
  630   1HG   LYS  82          HG2       LYS  82   4.932 -12.510  -5.043
  631   2HG   LYS  82          HG3       LYS  82   6.605 -12.185  -5.505
  632   1HD   LYS  82          HD2       LYS  82   6.018 -10.543  -6.927
  633   2HD   LYS  82          HD3       LYS  82   4.614 -11.431  -7.524
  634   1HE   LYS  82          HE2       LYS  82   3.371 -10.824  -5.519
  635   2HE   LYS  82          HE3       LYS  82   4.774  -9.952  -4.903
  636   1HZ   LYS  82          HZ1       LYS  82   3.181  -8.450  -5.923
  637   2HZ   LYS  82          HZ2       LYS  82   3.282  -9.292  -7.387
  638   3HZ   LYS  82          HZ3       LYS  82   4.629  -8.456  -6.798
  639    H    GLN  83           HN       GLN  83   7.756 -14.142  -7.964
  640    HA   GLN  83           HA       GLN  83  10.203 -15.091  -6.927
  641   1HB   GLN  83          HB2       GLN  83  11.160 -13.412  -8.673
  642   2HB   GLN  83          HB3       GLN  83  10.265 -14.820  -9.229
  643   1HG   GLN  83          HG2       GLN  83   8.769 -12.299  -8.764
  644   2HG   GLN  83          HG3       GLN  83   9.812 -12.405 -10.180
  645   1HE2  GLN  83          HE21      GLN  83   8.065 -12.317 -11.584
  646   2HE2  GLN  83          HE22      GLN  83   6.990 -13.651 -11.804
  647    H    GLY  84           HN       GLY  84  10.736 -14.354  -4.930
  648   1HA   GLY  84          HA1       GLY  84  11.775 -12.886  -3.476
  649   2HA   GLY  84          HA2       GLY  84  11.732 -11.665  -4.740
  650    H    GLY  85           HN       GLY  85   9.581 -10.656  -5.158
  651   1HA   GLY  85          HA1       GLY  85   7.934  -9.289  -4.321
  652   2HA   GLY  85          HA2       GLY  85   7.343 -10.780  -3.603
  653    H    ILE  86           HN       ILE  86   6.615  -9.961  -1.700
  654    HA   ILE  86           HA       ILE  86   8.541  -8.526  -0.012
  655    HB   ILE  86           HB       ILE  86   6.657  -7.776   1.301
  656   1HG1  ILE  86          HG12      ILE  86   4.942  -9.421  -0.583
  657   2HG1  ILE  86          HG13      ILE  86   5.279  -9.823   1.099
  658   1HG2  ILE  86          HG21      ILE  86   5.426  -6.517  -0.497
  659   2HG2  ILE  86          HG22      ILE  86   7.185  -6.409  -0.574
  660   3HG2  ILE  86          HG23      ILE  86   6.321  -7.478  -1.678
  661   1HD1  ILE  86          HD11      ILE  86   3.781  -7.399   0.126
  662   2HD1  ILE  86          HD12      ILE  86   3.075  -8.842   0.853
  663   3HD1  ILE  86          HD13      ILE  86   4.122  -7.791   1.810
  664    H    THR  87           HN       THR  87   8.348  -9.036   2.383
  665    HA   THR  87           HA       THR  87   8.711 -11.880   2.712
  666    HB   THR  87           HB       THR  87   9.398 -11.356   4.997
  667    HG1  THR  87           HG1      THR  87   8.196  -9.677   5.678
  668   1HG2  THR  87          HG21      THR  87  11.052 -11.108   3.214
  669   2HG2  THR  87          HG22      THR  87  11.320  -9.916   4.486
  670   3HG2  THR  87          HG23      THR  87  10.553  -9.435   2.972
  671    H    SER  88           HN       SER  88   7.837 -12.802   4.895
  672    HA   SER  88           HA       SER  88   5.030 -13.002   4.647
  673   1HB   SER  88          HB2       SER  88   6.396 -14.841   5.526
  674   2HB   SER  88          HB3       SER  88   6.823 -13.864   6.931
  675    HG   SER  88           HG       SER  88   4.128 -14.021   6.542
  676    H    ASP  89           HN       ASP  89   7.078 -11.461   7.117
  677    HA   ASP  89           HA       ASP  89   4.994 -10.479   8.716
  678   1HB   ASP  89          HB2       ASP  89   7.300 -10.568   9.513
  679   2HB   ASP  89          HB3       ASP  89   7.784  -9.379   8.307
  680    H    GLN  90           HN       GLN  90   6.370  -9.336   5.744
  681    HA   GLN  90           HA       GLN  90   5.291  -6.689   5.906
  682   1HB   GLN  90          HB2       GLN  90   6.578  -8.309   3.733
  683   2HB   GLN  90          HB3       GLN  90   5.810  -6.772   3.358
  684   1HG   GLN  90          HG2       GLN  90   7.278  -5.674   5.005
  685   2HG   GLN  90          HG3       GLN  90   8.074  -7.220   5.295
  686   1HE2  GLN  90          HE21      GLN  90   6.963  -6.157   2.157
  687   2HE2  GLN  90          HE22      GLN  90   8.529  -5.954   1.456
  688    H    ALA  91           HN       ALA  91   4.357  -9.676   4.237
  689    HA   ALA  91           HA       ALA  91   2.136  -8.625   2.872
  690   1HB   ALA  91          HB1       ALA  91   2.585 -11.456   3.813
  691   2HB   ALA  91          HB2       ALA  91   1.440 -10.938   2.574
  692   3HB   ALA  91          HB3       ALA  91   3.174 -10.766   2.299
  693    H    ALA  92           HN       ALA  92   2.574  -9.558   6.174
  694    HA   ALA  92           HA       ALA  92  -0.098 -10.063   6.893
  695   1HB   ALA  92          HB1       ALA  92   2.090  -8.896   8.609
  696   2HB   ALA  92          HB2       ALA  92   0.611  -9.670   9.178
  697   3HB   ALA  92          HB3       ALA  92   1.827 -10.617   8.322
  698    H    VAL  93           HN       VAL  93   1.679  -7.112   6.393
  699    HA   VAL  93           HA       VAL  93  -0.396  -5.465   7.564
  700    HB   VAL  93           HB       VAL  93   2.349  -5.129   7.072
  701   1HG1  VAL  93          HG11      VAL  93   0.728  -3.135   5.498
  702   2HG1  VAL  93          HG12      VAL  93   2.435  -2.963   5.906
  703   3HG1  VAL  93          HG13      VAL  93   1.908  -4.278   4.857
  704   1HG2  VAL  93          HG21      VAL  93   1.953  -2.948   8.234
  705   2HG2  VAL  93          HG22      VAL  93   0.226  -3.290   8.143
  706   3HG2  VAL  93          HG23      VAL  93   1.290  -4.362   9.052
  707    H    ILE  94           HN       ILE  94   0.546  -6.618   4.429
  708    HA   ILE  94           HA       ILE  94  -0.920  -4.641   2.935
  709    HB   ILE  94           HB       ILE  94  -0.164  -7.314   1.813
  710   1HG1  ILE  94          HG12      ILE  94   1.777  -6.485   3.129
  711   2HG1  ILE  94          HG13      ILE  94   2.097  -6.575   1.404
  712   1HG2  ILE  94          HG21      ILE  94   0.299  -5.907  -0.194
  713   2HG2  ILE  94          HG22      ILE  94  -1.379  -5.863   0.349
  714   3HG2  ILE  94          HG23      ILE  94  -0.300  -4.514   0.707
  715   1HD1  ILE  94          HD11      ILE  94   3.049  -4.575   2.336
  716   2HD1  ILE  94          HD12      ILE  94   1.734  -4.155   1.238
  717   3HD1  ILE  94          HD13      ILE  94   1.480  -4.091   2.982
  718    H    SER  95           HN       SER  95  -1.474  -8.026   3.864
  719    HA   SER  95           HA       SER  95  -3.857  -8.467   2.498
  720   1HB   SER  95          HB2       SER  95  -2.625 -10.267   3.594
  721   2HB   SER  95          HB3       SER  95  -2.987  -9.579   5.177
  722    HG   SER  95           HG       SER  95  -4.468 -11.188   4.785
  723    H    LYS  96           HN       LYS  96  -3.255  -6.383   5.089
  724    HA   LYS  96           HA       LYS  96  -5.946  -6.380   6.147
  725   1HB   LYS  96          HB2       LYS  96  -3.685  -4.463   6.727
  726   2HB   LYS  96          HB3       LYS  96  -5.135  -4.716   7.690
  727   1HG   LYS  96          HG2       LYS  96  -4.438  -6.866   8.351
  728   2HG   LYS  96          HG3       LYS  96  -3.124  -6.882   7.176
  729   1HD   LYS  96          HD2       LYS  96  -2.113  -6.440   9.259
  730   2HD   LYS  96          HD3       LYS  96  -2.179  -4.886   8.423
  731   1HE   LYS  96          HE2       LYS  96  -2.858  -4.511  10.678
  732   2HE   LYS  96          HE3       LYS  96  -4.300  -4.406   9.666
  733   1HZ   LYS  96          HZ1       LYS  96  -3.480  -6.765  11.274
  734   2HZ   LYS  96          HZ2       LYS  96  -4.858  -6.675  10.298
  735   3HZ   LYS  96          HZ3       LYS  96  -4.724  -5.686  11.663
  736    H    PHE  97           HN       PHE  97  -4.752  -5.299   3.369
  737    HA   PHE  97           HA       PHE  97  -5.275  -2.642   3.069
  738   1HB   PHE  97          HB2       PHE  97  -5.964  -3.326   0.641
  739   2HB   PHE  97          HB3       PHE  97  -4.311  -3.531   1.202
  740    HD1  PHE  97           HD1      PHE  97  -3.983  -5.147  -0.682
  741    HD2  PHE  97           HD2      PHE  97  -6.786  -5.845   2.444
  742    HE1  PHE  97           HE1      PHE  97  -4.100  -7.521  -1.317
  743    HE2  PHE  97           HE2      PHE  97  -6.903  -8.222   1.815
  744    HZ   PHE  97           HZ       PHE  97  -5.433  -9.045  -0.135
  745    H    TRP  98           HN       TRP  98  -7.718  -4.902   3.901
  746    HA   TRP  98           HA       TRP  98  -9.678  -2.822   3.224
  747   1HB   TRP  98          HB2       TRP  98 -11.376  -4.639   2.752
  748   2HB   TRP  98          HB3       TRP  98 -10.136  -4.383   1.534
  749    HD1  TRP  98           HD1      TRP  98  -9.043  -6.492   0.656
  750    HE1  TRP  98           HE1      TRP  98  -8.811  -8.929   1.441
  751    HE3  TRP  98           HE3      TRP  98 -11.259  -6.100   5.260
  752    HZ2  TRP  98           HZ2      TRP  98  -9.482 -10.484   3.691
  753    HZ3  TRP  98           HZ3      TRP  98 -11.426  -8.115   6.657
  754    HH2  TRP  98           HH2      TRP  98 -10.556 -10.261   5.888
  755    H    LYS  99           HN       LYS  99  -8.294  -4.123   5.751
  756    HA   LYS  99           HA       LYS  99 -10.800  -4.255   7.290
  757   1HB   LYS  99          HB2       LYS  99  -9.681  -5.696   8.896
  758   2HB   LYS  99          HB3       LYS  99  -9.607  -6.395   7.289
  759   1HG   LYS  99          HG2       LYS  99  -7.479  -6.773   8.073
  760   2HG   LYS  99          HG3       LYS  99  -7.275  -5.275   7.169
  761   1HD   LYS  99          HD2       LYS  99  -6.127  -5.265   9.368
  762   2HD   LYS  99          HD3       LYS  99  -7.320  -3.980   9.202
  763   1HE   LYS  99          HE2       LYS  99  -8.919  -5.273  10.496
  764   2HE   LYS  99          HE3       LYS  99  -7.773  -6.608  10.616
  765   1HZ   LYS  99          HZ1       LYS  99  -7.784  -5.270  12.624
  766   2HZ   LYS  99          HZ2       LYS  99  -7.384  -3.886  11.741
  767   3HZ   LYS  99          HZ3       LYS  99  -6.281  -5.163  11.855
  768    H    SER 100           HN       SER 100  -7.881  -2.604   6.801
  769    HA   SER 100           HA       SER 100  -7.778  -1.433   9.451
  770   1HB   SER 100          HB2       SER 100  -6.150  -0.836   6.969
  771   2HB   SER 100          HB3       SER 100  -5.834  -0.191   8.579
  772    HG   SER 100           HG       SER 100  -5.419  -2.284   9.293
  773    H    HIS 101           HN       HIS 101  -9.329  -0.808   6.488
  774    HA   HIS 101           HA       HIS 101 -10.017   1.904   7.414
  775   1HB   HIS 101          HB2       HIS 101  -9.471   1.058   4.561
  776   2HB   HIS 101          HB3       HIS 101 -10.087   2.635   5.046
  777    HD1  HIS 101           HD1      HIS 101  -7.002   0.852   4.411
  778    HD2  HIS 101           HD2      HIS 101  -8.161   4.079   6.761
  779    HE1  HIS 101           HE1      HIS 101  -4.874   2.059   4.996
  780    HE2  HIS 101           HE2      HIS 101  -5.609   4.058   6.341
  781    H    LYS 102           HN       LYS 102 -11.208  -1.072   6.993
  782    HA   LYS 102           HA       LYS 102 -13.898  -0.036   6.522
  783   1HB   LYS 102          HB2       LYS 102 -12.950  -0.910   4.347
  784   2HB   LYS 102          HB3       LYS 102 -12.917  -2.502   5.088
  785   1HG   LYS 102          HG2       LYS 102 -14.889  -2.248   3.710
  786   2HG   LYS 102          HG3       LYS 102 -15.341  -2.408   5.407
  787   1HD   LYS 102          HD2       LYS 102 -16.671  -0.677   4.347
  788   2HD   LYS 102          HD3       LYS 102 -15.595   0.037   5.549
  789   1HE   LYS 102          HE2       LYS 102 -14.044   0.689   3.774
  790   2HE   LYS 102          HE3       LYS 102 -15.112  -0.034   2.572
  791   1HZ   LYS 102          HZ1       LYS 102 -16.814   1.556   3.150
  792   2HZ   LYS 102          HZ2       LYS 102 -15.392   2.374   2.737
  793   3HZ   LYS 102          HZ3       LYS 102 -15.838   2.223   4.361
  794    H    THR 103           HN       THR 103 -13.890  -0.384   8.851
  795    HA   THR 103           HA       THR 103 -14.955  -2.997   9.504
  796    HB   THR 103           HB       THR 103 -13.486  -3.045  11.625
  797    HG1  THR 103           HG1      THR 103 -11.725  -1.575   9.942
  798   1HG2  THR 103          HG21      THR 103 -11.751  -4.341  10.503
  799   2HG2  THR 103          HG22      THR 103 -12.213  -3.643   8.951
  800   3HG2  THR 103          HG23      THR 103 -13.334  -4.699   9.811
  801    H    LYS 104           HN       LYS 104 -13.679  -0.138  11.208
  802    HA   LYS 104           HA       LYS 104 -16.381   0.455  12.165
  803   1HB   LYS 104          HB2       LYS 104 -15.663   0.761  14.442
  804   2HB   LYS 104          HB3       LYS 104 -15.204  -0.855  13.929
  805   1HG   LYS 104          HG2       LYS 104 -13.284   1.453  13.860
  806   2HG   LYS 104          HG3       LYS 104 -13.514   0.449  15.293
  807   1HD   LYS 104          HD2       LYS 104 -12.959  -1.543  13.910
  808   2HD   LYS 104          HD3       LYS 104 -12.590  -0.458  12.570
  809   1HE   LYS 104          HE2       LYS 104 -10.549  -1.081  13.712
  810   2HE   LYS 104          HE3       LYS 104 -10.875   0.635  13.951
  811   1HZ   LYS 104          HZ1       LYS 104 -10.167  -0.460  15.996
  812   2HZ   LYS 104          HZ2       LYS 104 -11.492  -1.509  15.911
  813   3HZ   LYS 104          HZ3       LYS 104 -11.739   0.147  16.139
  814    H    ILE 105           HN       ILE 105 -14.196   1.505  10.288
  815    HA   ILE 105           HA       ILE 105 -13.712   4.159  11.391
  816    HB   ILE 105           HB       ILE 105 -12.835   2.942   8.769
  817   1HG1  ILE 105          HG12      ILE 105 -10.551   3.164   9.989
  818   2HG1  ILE 105          HG13      ILE 105 -11.520   3.247  11.456
  819   1HG2  ILE 105          HG21      ILE 105 -12.192   5.584  10.057
  820   2HG2  ILE 105          HG22      ILE 105 -11.267   4.891   8.722
  821   3HG2  ILE 105          HG23      ILE 105 -12.968   5.305   8.499
  822   1HD1  ILE 105          HD11      ILE 105 -12.443   1.066  11.013
  823   2HD1  ILE 105          HD12      ILE 105 -11.592   0.989   9.470
  824   3HD1  ILE 105          HD13      ILE 105 -10.682   0.990  10.980
  825    H    ARG 106           HN       ARG 106 -15.259   2.690   8.541
  826    HA   ARG 106           HA       ARG 106 -16.881   3.418   7.132
  827   1HB   ARG 106          HB2       ARG 106 -18.175   3.553   9.237
  828   2HB   ARG 106          HB3       ARG 106 -17.639   5.215   9.441
  829   1HG   ARG 106          HG2       ARG 106 -18.773   5.823   7.351
  830   2HG   ARG 106          HG3       ARG 106 -19.341   4.162   7.194
  831   1HD   ARG 106          HD2       ARG 106 -19.974   6.036   9.470
  832   2HD   ARG 106          HD3       ARG 106 -21.061   5.623   8.144
  833    HE   ARG 106           HE       ARG 106 -20.142   3.309   9.535
  834   1HH1  ARG 106          HH12      ARG 106 -22.427   5.936   9.673
  835   2HH1  ARG 106          HH11      ARG 106 -23.563   5.067  10.650
  836   1HH2  ARG 106          HH22      ARG 106 -21.631   2.158  10.821
  837   2HH2  ARG 106          HH21      ARG 106 -23.112   2.918  11.301
  838    H    GLU 107           HN       GLU 107 -15.440   4.350   5.661
  839    HA   GLU 107           HA       GLU 107 -15.873   7.112   5.161
  840   1HB   GLU 107          HB2       GLU 107 -14.112   7.133   6.998
  841   2HB   GLU 107          HB3       GLU 107 -13.017   6.411   5.827
  842   1HG   GLU 107          HG2       GLU 107 -13.256   8.338   4.377
  843   2HG   GLU 107          HG3       GLU 107 -14.417   9.053   5.496
  844    H    SER 108           HN       SER 108 -15.133   7.763   3.103
  845    HA   SER 108           HA       SER 108 -14.387   5.509   1.377
  846   1HB   SER 108          HB2       SER 108 -16.466   6.692   0.793
  847   2HB   SER 108          HB3       SER 108 -15.566   8.200   0.645
  848    HG   SER 108           HG       SER 108 -15.795   6.116  -1.114
  Start of MODEL    3
    1   1H    MET   1          H1        MET   1  20.112  -1.561   0.266
    2   2H    MET   1          H2        MET   1  21.199  -2.571  -0.547
    3   3H    MET   1          H3        MET   1  21.268  -0.897  -0.774
    4   2HG   MET   1          HG2       MET   1  23.967   0.204   0.168
    5   1HE   MET   1          HE1       MET   1  24.693  -2.397  -2.665
    6   2HE   MET   1          HE2       MET   1  23.212  -3.038  -1.951
    7   3HE   MET   1          HE3       MET   1  23.187  -2.367  -3.582
    8    H    ALA   2           HN       ALA   2  20.555   0.402   0.384
    9    HA   ALA   2           HA       ALA   2  21.779   2.275   2.290
   10   1HB   ALA   2          HB1       ALA   2  20.159   2.825  -0.194
   11   2HB   ALA   2          HB2       ALA   2  20.841   4.052   0.873
   12   3HB   ALA   2          HB3       ALA   2  21.908   2.976  -0.029
   13    H    ALA   3           HN       ALA   3  18.776   0.783   1.330
   14    HA   ALA   3           HA       ALA   3  17.319   2.346   3.348
   15   1HB   ALA   3          HB1       ALA   3  16.200   0.578   1.177
   16   2HB   ALA   3          HB2       ALA   3  15.287   1.642   2.247
   17   3HB   ALA   3          HB3       ALA   3  16.396   2.327   1.058
   18    H    GLY   4           HN       GLY   4  17.459  -1.009   2.129
   19   1HA   GLY   4          HA1       GLY   4  17.420  -3.014   3.256
   20   2HA   GLY   4          HA2       GLY   4  17.790  -2.122   4.725
   21    H    GLU   5           HN       GLU   5  16.193  -1.691   6.167
   22    HA   GLU   5           HA       GLU   5  13.579  -2.885   5.591
   23   1HB   GLU   5          HB2       GLU   5  14.753  -3.678   7.596
   24   2HB   GLU   5          HB3       GLU   5  14.812  -2.035   8.220
   25   1HG   GLU   5          HG2       GLU   5  12.354  -2.003   8.298
   26   2HG   GLU   5          HG3       GLU   5  12.334  -3.673   7.735
   27    H    LEU   6           HN       LEU   6  11.697  -1.725   5.648
   28    HA   LEU   6           HA       LEU   6  11.990   1.181   5.702
   29   1HB   LEU   6          HB2       LEU   6   9.676  -0.519   4.780
   30   2HB   LEU   6          HB3       LEU   6   9.759   1.229   4.685
   31    HG   LEU   6           HG       LEU   6  11.590  -0.675   3.224
   32   1HD1  LEU   6          HD11      LEU   6  10.381   0.089   1.218
   33   2HD1  LEU   6          HD12      LEU   6   9.342  -0.793   2.338
   34   3HD1  LEU   6          HD13      LEU   6   9.254   0.967   2.253
   35   1HD2  LEU   6          HD21      LEU   6  12.703   1.413   3.708
   36   2HD2  LEU   6          HD22      LEU   6  12.280   1.353   1.998
   37   3HD2  LEU   6          HD23      LEU   6  11.318   2.325   3.110
   38    H    GLU   7           HN       GLU   7  12.153   1.349   7.955
   39    HA   GLU   7           HA       GLU   7  11.412   1.701  10.076
   40   1HB   GLU   7          HB2       GLU   7   8.838   2.143   8.566
   41   2HB   GLU   7          HB3       GLU   7   9.032   2.493  10.275
   42   1HG   GLU   7          HG2       GLU   7  10.645   3.738   8.062
   43   2HG   GLU   7          HG3       GLU   7   9.239   4.474   8.830
   44    H    GLY   8           HN       GLY   8   8.351   0.290   8.978
   45   1HA   GLY   8          HA1       GLY   8   8.793  -2.327   9.907
   46   2HA   GLY   8          HA2       GLY   8   8.062  -1.385  11.200
   47    H    GLY   9           HN       GLY   9   6.010  -2.087  11.302
   48   1HA   GLY   9          HA1       GLY   9   4.520  -2.696   8.891
   49   2HA   GLY   9          HA2       GLY   9   3.944  -2.856  10.543
   50    H    LYS  10           HN       LYS  10   4.939  -0.003  10.983
   51    HA   LYS  10           HA       LYS  10   2.494   1.299  10.766
   52   1HB   LYS  10          HB2       LYS  10   4.166   2.068  12.316
   53   2HB   LYS  10          HB3       LYS  10   5.280   2.436  11.009
   54   1HG   LYS  10          HG2       LYS  10   3.827   4.212  10.229
   55   2HG   LYS  10          HG3       LYS  10   2.643   3.813  11.478
   56   1HD   LYS  10          HD2       LYS  10   4.196   4.429  13.215
   57   2HD   LYS  10          HD3       LYS  10   5.480   4.679  12.030
   58   1HE   LYS  10          HE2       LYS  10   2.912   6.253  12.189
   59   2HE   LYS  10          HE3       LYS  10   4.479   6.796  12.787
   60   1HZ   LYS  10          HZ1       LYS  10   3.812   6.175   9.959
   61   2HZ   LYS  10          HZ2       LYS  10   5.333   6.659  10.521
   62   3HZ   LYS  10          HZ3       LYS  10   4.020   7.721  10.616
   63    HA   PRO  11           HA       PRO  11   4.084   3.548   6.806
   64   1HB   PRO  11          HB2       PRO  11   6.165   2.504   5.449
   65   2HB   PRO  11          HB3       PRO  11   6.392   3.641   6.787
   66   1HG   PRO  11          HG2       PRO  11   6.583   0.650   6.795
   67   2HG   PRO  11          HG3       PRO  11   7.677   1.842   7.519
   68   1HD   PRO  11          HD2       PRO  11   5.811   0.519   8.964
   69   2HD   PRO  11          HD3       PRO  11   6.306   2.181   9.345
   70    H    LEU  12           HN       LEU  12   4.983   0.112   6.371
   71    HA   LEU  12           HA       LEU  12   3.903  -0.257   3.857
   72   1HB   LEU  12          HB2       LEU  12   5.332  -1.837   5.285
   73   2HB   LEU  12          HB3       LEU  12   3.816  -2.387   5.971
   74    HG   LEU  12           HG       LEU  12   3.059  -3.002   3.673
   75   1HD1  LEU  12          HD11      LEU  12   4.767  -3.182   1.915
   76   2HD1  LEU  12          HD12      LEU  12   4.469  -1.509   2.389
   77   3HD1  LEU  12          HD13      LEU  12   5.914  -2.344   2.960
   78   1HD2  LEU  12          HD21      LEU  12   5.582  -4.273   4.718
   79   2HD2  LEU  12          HD22      LEU  12   3.922  -4.714   5.115
   80   3HD2  LEU  12          HD23      LEU  12   4.542  -4.986   3.486
   81    H    SER  13           HN       SER  13   2.273  -0.017   6.909
   82    HA   SER  13           HA       SER  13  -0.190  -1.188   6.032
   83   1HB   SER  13          HB2       SER  13   0.410  -1.126   8.412
   84   2HB   SER  13          HB3       SER  13   0.379   0.637   8.382
   85    HG   SER  13           HG       SER  13  -1.841   0.522   7.883
   86    H    GLY  14           HN       GLY  14   1.169   2.042   6.180
   87   1HA   GLY  14          HA1       GLY  14  -1.295   3.144   5.006
   88   2HA   GLY  14          HA2       GLY  14  -0.040   4.083   5.801
   89    H    LEU  15           HN       LEU  15   1.071   1.632   3.713
   90    HA   LEU  15           HA       LEU  15   2.410   3.445   2.002
   91   1HB   LEU  15          HB2       LEU  15   2.375   0.664   2.509
   92   2HB   LEU  15          HB3       LEU  15   2.119   0.867   0.789
   93    HG   LEU  15           HG       LEU  15   4.496   0.548   1.367
   94   1HD1  LEU  15          HD11      LEU  15   5.370   2.465   0.097
   95   2HD1  LEU  15          HD12      LEU  15   3.945   1.743  -0.653
   96   3HD1  LEU  15          HD13      LEU  15   3.800   3.254   0.246
   97   1HD2  LEU  15          HD21      LEU  15   4.641   1.553   3.522
   98   2HD2  LEU  15          HD22      LEU  15   5.686   2.469   2.441
   99   3HD2  LEU  15          HD23      LEU  15   4.110   3.112   2.896
  100    H    LEU  16           HN       LEU  16  -0.181   1.112   1.222
  101    HA   LEU  16           HA       LEU  16  -0.713   2.002  -1.350
  102   1HB   LEU  16          HB2       LEU  16  -2.875   1.031   0.508
  103   2HB   LEU  16          HB3       LEU  16  -2.789   0.852  -1.231
  104    HG   LEU  16           HG       LEU  16  -2.306  -1.282  -0.543
  105   1HD1  LEU  16          HD11      LEU  16  -0.481  -0.492  -1.969
  106   2HD1  LEU  16          HD12      LEU  16   0.429  -0.014  -0.536
  107   3HD1  LEU  16          HD13      LEU  16   0.066  -1.716  -0.820
  108   1HD2  LEU  16          HD21      LEU  16  -2.063  -0.274   1.925
  109   2HD2  LEU  16          HD22      LEU  16  -1.594  -1.920   1.501
  110   3HD2  LEU  16          HD23      LEU  16  -0.372  -0.654   1.598
  111    H    ASN  17           HN       ASN  17  -1.363   3.458   1.654
  112    HA   ASN  17           HA       ASN  17  -3.486   5.188   0.754
  113   1HB   ASN  17          HB2       ASN  17  -3.561   4.551   3.040
  114   2HB   ASN  17          HB3       ASN  17  -1.869   4.972   3.291
  115   1HD2  ASN  17          HD21      ASN  17  -4.173   6.935   1.524
  116   2HD2  ASN  17          HD22      ASN  17  -4.223   8.238   2.658
  117    H    ALA  18           HN       ALA  18  -0.096   5.632   1.751
  118    HA   ALA  18           HA       ALA  18   0.048   8.388   1.194
  119   1HB   ALA  18          HB1       ALA  18   2.322   6.415   1.164
  120   2HB   ALA  18          HB2       ALA  18   2.417   8.154   1.437
  121   3HB   ALA  18          HB3       ALA  18   1.629   7.117   2.626
  122    H    LEU  19           HN       LEU  19   0.777   5.545  -0.762
  123    HA   LEU  19           HA       LEU  19   2.016   6.774  -2.930
  124   1HB   LEU  19          HB2       LEU  19   0.238   4.338  -2.925
  125   2HB   LEU  19          HB3       LEU  19   1.345   4.786  -4.210
  126    HG   LEU  19           HG       LEU  19   2.303   4.266  -1.407
  127   1HD1  LEU  19          HD11      LEU  19   2.813   1.990  -2.074
  128   2HD1  LEU  19          HD12      LEU  19   1.079   2.290  -2.185
  129   3HD1  LEU  19          HD13      LEU  19   2.065   2.262  -3.648
  130   1HD2  LEU  19          HD21      LEU  19   4.421   3.823  -2.565
  131   2HD2  LEU  19          HD22      LEU  19   3.652   4.206  -4.105
  132   3HD2  LEU  19          HD23      LEU  19   3.833   5.456  -2.874
  133    H    ALA  20           HN       ALA  20  -1.220   7.034  -1.916
  134    HA   ALA  20           HA       ALA  20  -2.565   7.312  -4.364
  135   1HB   ALA  20          HB1       ALA  20  -3.174   8.650  -1.730
  136   2HB   ALA  20          HB2       ALA  20  -4.283   8.492  -3.092
  137   3HB   ALA  20          HB3       ALA  20  -3.730   7.054  -2.235
  138    H    GLN  21           HN       GLN  21  -1.486   8.546  -5.856
  139    HA   GLN  21           HA       GLN  21  -0.815  11.309  -5.157
  140   1HB   GLN  21          HB2       GLN  21  -0.128   9.644  -7.584
  141   2HB   GLN  21          HB3       GLN  21   0.340  11.325  -7.372
  142   1HG   GLN  21          HG2       GLN  21   1.671  10.753  -5.445
  143   2HG   GLN  21          HG3       GLN  21   1.133   9.078  -5.535
  144   1HE2  GLN  21          HE21      GLN  21   3.824  10.194  -5.647
  145   2HE2  GLN  21          HE22      GLN  21   4.510   9.651  -7.135
  146    H    ASP  22           HN       ASP  22  -2.572  12.565  -5.288
  147    HA   ASP  22           HA       ASP  22  -4.392  13.650  -6.108
  148   1HB   ASP  22          HB2       ASP  22  -2.790  14.431  -7.766
  149   2HB   ASP  22          HB3       ASP  22  -3.058  12.989  -8.741
  150    H    THR  23           HN       THR  23  -5.945  12.176  -5.393
  151    HA   THR  23           HA       THR  23  -6.772  10.022  -7.158
  152    HB   THR  23           HB       THR  23  -8.429   9.506  -5.379
  153    HG1  THR  23           HG1      THR  23  -8.330  11.867  -4.656
  154   1HG2  THR  23          HG21      THR  23  -5.585   9.841  -4.416
  155   2HG2  THR  23          HG22      THR  23  -6.214   8.473  -5.334
  156   3HG2  THR  23          HG23      THR  23  -6.797   8.779  -3.698
  157    H    PHE  24           HN       PHE  24  -8.014  13.096  -5.945
  158    HA   PHE  24           HA       PHE  24  -9.667  14.476  -6.668
  159   1HB   PHE  24          HB2       PHE  24  -8.538  14.018  -8.894
  160   2HB   PHE  24          HB3       PHE  24  -9.777  12.801  -9.179
  161    HD1  PHE  24           HD1      PHE  24 -11.656  13.415 -10.343
  162    HD2  PHE  24           HD2      PHE  24  -9.476  16.397  -8.229
  163    HE1  PHE  24           HE1      PHE  24 -13.150  15.146 -11.253
  164    HE2  PHE  24           HE2      PHE  24 -10.967  18.133  -9.134
  165    HZ   PHE  24           HZ       PHE  24 -12.808  17.508 -10.648
  166    H    HIS  25           HN       HIS  25 -10.113  11.407  -5.809
  167    HA   HIS  25           HA       HIS  25 -13.032  11.670  -5.874
  168   1HB   HIS  25          HB2       HIS  25 -11.458   9.225  -6.688
  169   2HB   HIS  25          HB3       HIS  25 -13.168   9.173  -6.275
  170    HD1  HIS  25           HD1      HIS  25 -14.823   9.938  -8.036
  171    HD2  HIS  25           HD2      HIS  25 -10.867  10.620  -9.112
  172    HE1  HIS  25           HE1      HIS  25 -14.889  10.597 -10.463
  173    HE2  HIS  25           HE2      HIS  25 -12.478  10.930 -11.111
  174    H    GLY  26           HN       GLY  26 -10.429  11.554  -4.005
  175   1HA   GLY  26          HA1       GLY  26 -11.909  10.266  -1.813
  176   2HA   GLY  26          HA2       GLY  26 -10.242   9.799  -2.111
  177    H    TYR  27           HN       TYR  27  -8.950  10.665  -0.638
  178    HA   TYR  27           HA       TYR  27  -9.644  13.172   0.646
  179   1HB   TYR  27          HB2       TYR  27  -7.288  11.329   1.099
  180   2HB   TYR  27          HB3       TYR  27  -7.718  12.707   2.104
  181    HD1  TYR  27           HD1      TYR  27  -9.649  12.605   3.592
  182    HD2  TYR  27           HD2      TYR  27  -8.537   9.257   1.213
  183    HE1  TYR  27           HE1      TYR  27 -11.090  11.160   4.964
  184    HE2  TYR  27           HE2      TYR  27  -9.975   7.803   2.578
  185    HH   TYR  27           HH       TYR  27 -10.935   7.796   4.877
  186    HA   PRO  28           HA       PRO  28  -6.936  15.238  -2.331
  187   1HB   PRO  28          HB2       PRO  28  -7.707  17.754  -1.806
  188   2HB   PRO  28          HB3       PRO  28  -8.733  16.644  -2.723
  189   1HG   PRO  28          HG2       PRO  28  -8.885  17.412   0.168
  190   2HG   PRO  28          HG3       PRO  28 -10.197  17.246  -1.014
  191   1HD   PRO  28          HD2       PRO  28  -9.558  15.318   0.815
  192   2HD   PRO  28          HD3       PRO  28 -10.299  14.967  -0.758
  193    H    GLY  29           HN       GLY  29  -6.662  14.887   0.891
  194   1HA   GLY  29          HA1       GLY  29  -4.841  17.060   1.466
  195   2HA   GLY  29          HA2       GLY  29  -5.263  15.737   2.542
  196    H    ILE  30           HN       ILE  30  -4.585  13.909   0.141
  197    HA   ILE  30           HA       ILE  30  -1.799  13.595   0.896
  198    HB   ILE  30           HB       ILE  30  -3.233  11.610   0.830
  199   1HG1  ILE  30          HG12      ILE  30  -1.768  10.219  -0.730
  200   2HG1  ILE  30          HG13      ILE  30  -0.966  11.727  -1.157
  201   1HG2  ILE  30          HG21      ILE  30  -3.395  12.038  -2.148
  202   2HG2  ILE  30          HG22      ILE  30  -4.111  10.717  -1.226
  203   3HG2  ILE  30          HG23      ILE  30  -4.701  12.364  -1.010
  204   1HD1  ILE  30          HD11      ILE  30  -1.120  10.508   1.589
  205   2HD1  ILE  30          HD12      ILE  30   0.290  10.544   0.530
  206   3HD1  ILE  30          HD13      ILE  30  -0.352  12.046   1.195
  207    H    THR  31           HN       THR  31  -0.154  14.333  -0.249
  208    HA   THR  31           HA       THR  31  -0.603  15.060  -3.072
  209    HB   THR  31           HB       THR  31   1.420  16.322  -1.211
  210    HG1  THR  31           HG1      THR  31  -0.087  18.085  -1.180
  211   1HG2  THR  31          HG21      THR  31   1.419  18.104  -2.958
  212   2HG2  THR  31          HG22      THR  31   0.414  17.057  -3.960
  213   3HG2  THR  31          HG23      THR  31   2.046  16.556  -3.522
  214    H    GLU  32           HN       GLU  32   1.272  14.857  -4.487
  215    HA   GLU  32           HA       GLU  32   2.472  12.364  -4.370
  216   1HB   GLU  32          HB2       GLU  32   2.277  13.537  -6.463
  217   2HB   GLU  32          HB3       GLU  32   3.298  14.843  -5.881
  218   1HG   GLU  32          HG2       GLU  32   5.201  13.319  -5.786
  219   2HG   GLU  32          HG3       GLU  32   4.178  12.007  -6.364
  220    H    GLU  33           HN       GLU  33   3.901  15.520  -3.556
  221    HA   GLU  33           HA       GLU  33   6.421  14.454  -2.797
  222   1HB   GLU  33          HB2       GLU  33   6.124  16.809  -3.436
  223   2HB   GLU  33          HB3       GLU  33   5.108  17.070  -2.026
  224   1HG   GLU  33          HG2       GLU  33   7.350  17.928  -1.671
  225   2HG   GLU  33          HG3       GLU  33   6.992  16.607  -0.561
  226    H    LEU  34           HN       LEU  34   3.375  14.583  -1.280
  227    HA   LEU  34           HA       LEU  34   4.386  14.390   1.420
  228   1HB   LEU  34          HB2       LEU  34   1.648  14.292   0.200
  229   2HB   LEU  34          HB3       LEU  34   1.907  13.890   1.885
  230    HG   LEU  34           HG       LEU  34   2.663  16.537   0.652
  231   1HD1  LEU  34          HD11      LEU  34   0.676  17.427   1.713
  232   2HD1  LEU  34          HD12      LEU  34   0.241  16.153   0.575
  233   3HD1  LEU  34          HD13      LEU  34   0.249  15.821   2.306
  234   1HD2  LEU  34          HD21      LEU  34   2.820  17.264   2.987
  235   2HD2  LEU  34          HD22      LEU  34   2.452  15.624   3.522
  236   3HD2  LEU  34          HD23      LEU  34   3.946  15.952   2.642
  237    H    LEU  35           HN       LEU  35   3.365  12.226  -1.114
  238    HA   LEU  35           HA       LEU  35   2.566   9.977   0.159
  239   1HB   LEU  35          HB2       LEU  35   2.943   8.914  -1.798
  240   2HB   LEU  35          HB3       LEU  35   3.176  10.547  -2.367
  241    HG   LEU  35           HG       LEU  35   5.704  10.051  -1.780
  242   1HD1  LEU  35          HD11      LEU  35   5.236   7.837  -0.810
  243   2HD1  LEU  35          HD12      LEU  35   4.615   7.299  -2.369
  244   3HD1  LEU  35          HD13      LEU  35   6.314   7.741  -2.202
  245   1HD2  LEU  35          HD21      LEU  35   4.664  10.575  -4.005
  246   2HD2  LEU  35          HD22      LEU  35   6.075   9.520  -4.068
  247   3HD2  LEU  35          HD23      LEU  35   4.457   8.840  -4.238
  248    H    ARG  36           HN       ARG  36   5.891  11.128  -0.116
  249    HA   ARG  36           HA       ARG  36   6.940   8.852   1.322
  250   1HB   ARG  36          HB2       ARG  36   8.548   9.530  -0.136
  251   2HB   ARG  36          HB3       ARG  36   8.054  11.215  -0.078
  252   1HG   ARG  36          HG2       ARG  36   9.102  11.308   2.221
  253   2HG   ARG  36          HG3       ARG  36   9.788   9.717   1.870
  254   1HD   ARG  36          HD2       ARG  36  10.978  10.600  -0.024
  255   2HD   ARG  36          HD3       ARG  36  10.182  12.163   0.148
  256    HE   ARG  36           HE       ARG  36  11.795  11.219   2.387
  257   1HH1  ARG  36          HH12      ARG  36  11.488  13.325  -0.375
  258   2HH1  ARG  36          HH11      ARG  36  12.782  14.365   0.116
  259   1HH2  ARG  36          HH22      ARG  36  13.497  12.584   3.037
  260   2HH2  ARG  36          HH21      ARG  36  13.922  13.946   2.055
  261    H    SER  37           HN       SER  37   6.968  12.355   1.901
  262    HA   SER  37           HA       SER  37   7.946  12.360   4.471
  263   1HB   SER  37          HB2       SER  37   5.957  14.279   3.251
  264   2HB   SER  37          HB3       SER  37   6.919  14.590   4.696
  265    HG   SER  37           HG       SER  37   7.802  14.264   2.031
  266    H    GLN  38           HN       GLN  38   4.804  11.330   3.476
  267    HA   GLN  38           HA       GLN  38   3.377  11.960   5.825
  268   1HB   GLN  38          HB2       GLN  38   2.926   9.960   3.633
  269   2HB   GLN  38          HB3       GLN  38   1.863  10.032   5.031
  270   1HG   GLN  38          HG2       GLN  38   2.440  12.492   3.435
  271   2HG   GLN  38          HG3       GLN  38   1.238  11.328   2.887
  272   1HE2  GLN  38          HE21      GLN  38   1.858  12.019   6.265
  273   2HE2  GLN  38          HE22      GLN  38   0.357  12.810   6.574
  274    H    LEU  39           HN       LEU  39   4.802   8.804   4.842
  275    HA   LEU  39           HA       LEU  39   4.908   8.170   7.716
  276   1HB   LEU  39          HB2       LEU  39   4.811   5.705   6.513
  277   2HB   LEU  39          HB3       LEU  39   3.487   6.510   7.328
  278    HG   LEU  39           HG       LEU  39   3.947   6.963   4.399
  279   1HD1  LEU  39          HD11      LEU  39   2.320   4.712   5.575
  280   2HD1  LEU  39          HD12      LEU  39   2.525   5.099   3.867
  281   3HD1  LEU  39          HD13      LEU  39   3.897   4.515   4.809
  282   1HD2  LEU  39          HD21      LEU  39   1.607   7.469   4.387
  283   2HD2  LEU  39          HD22      LEU  39   1.424   6.901   6.046
  284   3HD2  LEU  39          HD23      LEU  39   2.350   8.362   5.712
  285    H    TYR  40           HN       TYR  40   6.397   7.482   4.549
  286    HA   TYR  40           HA       TYR  40   8.789   6.573   5.988
  287   1HB   TYR  40          HB2       TYR  40   9.443   5.901   3.510
  288   2HB   TYR  40          HB3       TYR  40   8.431   4.876   4.508
  289    HD1  TYR  40           HD1      TYR  40   5.876   5.129   4.229
  290    HD2  TYR  40           HD2      TYR  40   8.710   6.585   1.412
  291    HE1  TYR  40           HE1      TYR  40   4.120   5.204   2.510
  292    HE2  TYR  40           HE2      TYR  40   6.963   6.659  -0.315
  293    HH   TYR  40           HH       TYR  40   3.657   6.358   0.396
  294    HA   PRO  41           HA       PRO  41  10.284  10.631   4.544
  295   1HB   PRO  41          HB2       PRO  41  11.919  11.129   6.609
  296   2HB   PRO  41          HB3       PRO  41  10.168  11.340   6.752
  297   1HG   PRO  41          HG2       PRO  41  11.883   9.063   7.671
  298   2HG   PRO  41          HG3       PRO  41  10.551   9.873   8.518
  299   1HD   PRO  41          HD2       PRO  41  10.284   7.498   7.179
  300   2HD   PRO  41          HD3       PRO  41   8.954   8.645   7.430
  301    H    GLU  42           HN       GLU  42  11.820   7.656   5.337
  302    HA   GLU  42           HA       GLU  42  14.475   8.392   4.564
  303   1HB   GLU  42          HB2       GLU  42  14.900   5.937   4.628
  304   2HB   GLU  42          HB3       GLU  42  14.199   6.572   6.111
  305   1HG   GLU  42          HG2       GLU  42  11.976   5.788   5.312
  306   2HG   GLU  42          HG3       GLU  42  12.794   5.020   3.952
  307    H    VAL  43           HN       VAL  43  11.867   6.525   3.022
  308    HA   VAL  43           HA       VAL  43  13.268   6.094   0.590
  309    HB   VAL  43           HB       VAL  43  10.496   5.669   1.560
  310   1HG1  VAL  43          HG11      VAL  43   9.923   6.797  -0.468
  311   2HG1  VAL  43          HG12      VAL  43  11.150   5.907  -1.372
  312   3HG1  VAL  43          HG13      VAL  43   9.734   5.064  -0.745
  313   1HG2  VAL  43          HG21      VAL  43  12.458   4.027  -0.030
  314   2HG2  VAL  43          HG22      VAL  43  12.128   3.903   1.700
  315   3HG2  VAL  43          HG23      VAL  43  10.882   3.463   0.529
  316    HA   PRO  44           HA       PRO  44  12.788  10.401  -0.747
  317   1HB   PRO  44          HB2       PRO  44  14.044   9.307  -3.200
  318   2HB   PRO  44          HB3       PRO  44  14.532  10.682  -2.203
  319   1HG   PRO  44          HG2       PRO  44  15.904   8.392  -2.158
  320   2HG   PRO  44          HG3       PRO  44  15.662   9.351  -0.684
  321   1HD   PRO  44          HD2       PRO  44  14.266   6.858  -1.575
  322   2HD   PRO  44          HD3       PRO  44  14.808   7.327   0.049
  323    HA   PRO  45           HA       PRO  45   9.195  10.082  -3.310
  324   1HB   PRO  45          HB2       PRO  45   9.953  12.589  -4.649
  325   2HB   PRO  45          HB3       PRO  45   8.575  12.253  -3.600
  326   1HG   PRO  45          HG2       PRO  45  10.596  13.795  -2.769
  327   2HG   PRO  45          HG3       PRO  45   9.776  12.674  -1.658
  328   1HD   PRO  45          HD2       PRO  45  12.375  12.317  -3.126
  329   2HD   PRO  45          HD3       PRO  45  12.003  11.998  -1.417
  330    H    GLU  46           HN       GLU  46  12.021   9.267  -4.402
  331    HA   GLU  46           HA       GLU  46  11.107   8.899  -7.157
  332   1HB   GLU  46          HB2       GLU  46  12.597  10.805  -7.268
  333   2HB   GLU  46          HB3       GLU  46  13.825   9.945  -6.350
  334   1HG   GLU  46          HG2       GLU  46  14.412   9.993  -8.685
  335   2HG   GLU  46          HG3       GLU  46  14.063   8.340  -8.182
  336    H    GLU  47           HN       GLU  47  13.345   7.986  -4.579
  337    HA   GLU  47           HA       GLU  47  14.152   5.553  -5.899
  338   1HB   GLU  47          HB2       GLU  47  14.782   6.900  -3.324
  339   2HB   GLU  47          HB3       GLU  47  15.056   5.166  -3.420
  340   1HG   GLU  47          HG2       GLU  47  16.463   5.563  -5.430
  341   2HG   GLU  47          HG3       GLU  47  16.262   7.297  -5.176
  342    H    PHE  48           HN       PHE  48  11.281   6.258  -4.808
  343    HA   PHE  48           HA       PHE  48  10.767   4.094  -2.989
  344   1HB   PHE  48          HB2       PHE  48   8.451   4.780  -3.107
  345   2HB   PHE  48          HB3       PHE  48   9.468   6.205  -2.945
  346    HD1  PHE  48           HD1      PHE  48   9.994   7.539  -5.035
  347    HD2  PHE  48           HD2      PHE  48   6.948   4.573  -4.878
  348    HE1  PHE  48           HE1      PHE  48   8.947   8.515  -7.037
  349    HE2  PHE  48           HE2      PHE  48   5.894   5.544  -6.878
  350    HZ   PHE  48           HZ       PHE  48   6.880   7.522  -7.951
  351    H    ARG  49           HN       ARG  49  10.689   4.573  -6.414
  352    HA   ARG  49           HA       ARG  49   8.901   2.604  -7.208
  353   1HB   ARG  49          HB2       ARG  49  10.409   4.415  -8.509
  354   2HB   ARG  49          HB3       ARG  49  11.305   2.950  -8.888
  355   1HG   ARG  49          HG2       ARG  49   9.711   3.397 -10.630
  356   2HG   ARG  49          HG3       ARG  49   9.235   1.939  -9.756
  357   1HD   ARG  49          HD2       ARG  49   7.478   3.025  -8.662
  358   2HD   ARG  49          HD3       ARG  49   8.124   4.627  -9.016
  359    HE   ARG  49           HE       ARG  49   7.523   3.350 -11.437
  360   1HH1  ARG  49          HH12      ARG  49   5.894   4.650  -8.645
  361   2HH1  ARG  49          HH11      ARG  49   4.445   5.039  -9.512
  362   1HH2  ARG  49          HH22      ARG  49   5.619   3.860 -12.586
  363   2HH2  ARG  49          HH21      ARG  49   4.289   4.591 -11.751
  364    HA   PRO  50           HA       PRO  50  12.712  -0.485  -7.587
  365   1HB   PRO  50          HB2       PRO  50  14.506  -0.050  -5.493
  366   2HB   PRO  50          HB3       PRO  50  14.787   0.340  -7.192
  367   1HG   PRO  50          HG2       PRO  50  13.920   2.108  -4.957
  368   2HG   PRO  50          HG3       PRO  50  14.981   2.468  -6.330
  369   1HD   PRO  50          HD2       PRO  50  12.445   3.335  -6.249
  370   2HD   PRO  50          HD3       PRO  50  13.201   2.825  -7.772
  371    H    PHE  51           HN       PHE  51  11.670   0.870  -4.493
  372    HA   PHE  51           HA       PHE  51  11.515  -1.793  -3.323
  373   1HB   PHE  51          HB2       PHE  51  11.909   0.807  -2.281
  374   2HB   PHE  51          HB3       PHE  51  10.358   0.252  -1.661
  375    HD1  PHE  51           HD1      PHE  51  10.308  -2.089  -0.585
  376    HD2  PHE  51           HD2      PHE  51  13.873   0.135  -1.259
  377    HE1  PHE  51           HE1      PHE  51  11.466  -3.438   1.116
  378    HE2  PHE  51           HE2      PHE  51  15.037  -1.210   0.440
  379    HZ   PHE  51           HZ       PHE  51  13.831  -3.003   1.627
  380    H    LEU  52           HN       LEU  52   9.543   0.438  -4.970
  381    HA   LEU  52           HA       LEU  52   7.048  -0.597  -3.909
  382   1HB   LEU  52          HB2       LEU  52   7.539   1.847  -4.569
  383   2HB   LEU  52          HB3       LEU  52   7.315   1.299  -6.219
  384    HG   LEU  52           HG       LEU  52   5.034   0.479  -5.536
  385   1HD1  LEU  52          HD11      LEU  52   5.577   0.445  -3.093
  386   2HD1  LEU  52          HD12      LEU  52   5.488   2.205  -3.114
  387   3HD1  LEU  52          HD13      LEU  52   4.061   1.245  -3.505
  388   1HD2  LEU  52          HD21      LEU  52   5.382   2.568  -6.766
  389   2HD2  LEU  52          HD22      LEU  52   4.023   2.688  -5.648
  390   3HD2  LEU  52          HD23      LEU  52   5.570   3.431  -5.239
  391    H    ALA  53           HN       ALA  53   9.231  -1.370  -6.361
  392    HA   ALA  53           HA       ALA  53   7.680  -2.141  -8.509
  393   1HB   ALA  53          HB1       ALA  53  10.061  -3.645  -7.421
  394   2HB   ALA  53          HB2       ALA  53   9.428  -3.731  -9.066
  395   3HB   ALA  53          HB3       ALA  53  10.141  -2.231  -8.473
  396    H    LYS  54           HN       LYS  54   8.075  -3.682  -5.407
  397    HA   LYS  54           HA       LYS  54   6.274  -5.854  -6.232
  398   1HB   LYS  54          HB2       LYS  54   8.126  -5.653  -3.849
  399   2HB   LYS  54          HB3       LYS  54   7.063  -7.014  -4.184
  400   1HG   LYS  54          HG2       LYS  54   8.274  -7.516  -6.210
  401   2HG   LYS  54          HG3       LYS  54   9.286  -6.086  -5.992
  402   1HD   LYS  54          HD2       LYS  54   9.143  -8.398  -4.060
  403   2HD   LYS  54          HD3       LYS  54  10.390  -8.197  -5.292
  404   1HE   LYS  54          HE2       LYS  54  11.024  -6.051  -4.262
  405   2HE   LYS  54          HE3       LYS  54   9.808  -6.308  -3.012
  406   1HZ   LYS  54          HZ1       LYS  54  12.139  -8.076  -3.523
  407   2HZ   LYS  54          HZ2       LYS  54  10.989  -8.279  -2.301
  408   3HZ   LYS  54          HZ3       LYS  54  12.026  -6.944  -2.272
  409    H    MET  55           HN       MET  55   6.238  -2.912  -4.812
  410    HA   MET  55           HA       MET  55   3.927  -3.562  -3.104
  411   1HB   MET  55          HB2       MET  55   6.293  -1.837  -2.661
  412   2HB   MET  55          HB3       MET  55   4.749  -1.170  -2.139
  413   1HG   MET  55          HG2       MET  55   5.904  -3.820  -1.273
  414   2HG   MET  55          HG3       MET  55   5.869  -2.333  -0.324
  415   1HE   MET  55          HE1       MET  55   2.028  -1.819   0.236
  416   2HE   MET  55          HE2       MET  55   3.645  -1.187   0.549
  417   3HE   MET  55          HE3       MET  55   2.993  -1.167  -1.090
  418    H    ARG  56           HN       ARG  56   4.210  -2.722  -6.024
  419    HA   ARG  56           HA       ARG  56   2.704  -0.195  -5.939
  420   1HB   ARG  56          HB2       ARG  56   3.289   0.040  -8.302
  421   2HB   ARG  56          HB3       ARG  56   4.730  -0.184  -7.320
  422   1HG   ARG  56          HG2       ARG  56   4.946  -2.451  -8.010
  423   2HG   ARG  56          HG3       ARG  56   3.372  -2.417  -8.804
  424   1HD   ARG  56          HD2       ARG  56   5.788  -0.804  -9.601
  425   2HD   ARG  56          HD3       ARG  56   5.198  -2.253 -10.410
  426    HE   ARG  56           HE       ARG  56   3.185  -0.249 -10.245
  427   1HH1  ARG  56          HH12      ARG  56   6.037  -1.199 -12.010
  428   2HH1  ARG  56          HH11      ARG  56   5.567  -0.378 -13.462
  429   1HH2  ARG  56          HH22      ARG  56   2.561   0.833 -12.153
  430   2HH2  ARG  56          HH21      ARG  56   3.594   0.777 -13.543
  431    H    GLY  57           HN       GLY  57   2.582  -3.517  -7.086
  432   1HA   GLY  57          HA1       GLY  57   0.321  -3.332  -8.735
  433   2HA   GLY  57          HA2       GLY  57   0.867  -4.790  -7.920
  434    H    ILE  58           HN       ILE  58   0.418  -2.604  -5.530
  435    HA   ILE  58           HA       ILE  58  -2.258  -3.634  -4.958
  436    HB   ILE  58           HB       ILE  58  -0.392  -2.252  -3.056
  437   1HG1  ILE  58          HG12      ILE  58  -0.160  -4.809  -2.363
  438   2HG1  ILE  58          HG13      ILE  58  -0.455  -5.043  -4.073
  439   1HG2  ILE  58          HG21      ILE  58  -2.733  -2.357  -2.371
  440   2HG2  ILE  58          HG22      ILE  58  -2.732  -4.103  -2.617
  441   3HG2  ILE  58          HG23      ILE  58  -1.726  -3.388  -1.356
  442   1HD1  ILE  58          HD11      ILE  58   1.948  -4.951  -3.431
  443   2HD1  ILE  58          HD12      ILE  58   1.474  -3.773  -4.656
  444   3HD1  ILE  58          HD13      ILE  58   1.707  -3.263  -2.984
  445    H    LEU  59           HN       LEU  59  -0.450  -0.686  -5.436
  446    HA   LEU  59           HA       LEU  59  -2.300   1.121  -4.321
  447   1HB   LEU  59          HB2       LEU  59   0.079   1.620  -4.844
  448   2HB   LEU  59          HB3       LEU  59  -0.325   1.627  -6.546
  449    HG   LEU  59           HG       LEU  59  -0.102   3.879  -5.338
  450   1HD1  LEU  59          HD11      LEU  59  -1.789   4.899  -6.711
  451   2HD1  LEU  59          HD12      LEU  59  -1.045   3.571  -7.597
  452   3HD1  LEU  59          HD13      LEU  59  -2.641   3.366  -6.874
  453   1HD2  LEU  59          HD21      LEU  59  -2.873   3.145  -4.409
  454   2HD2  LEU  59          HD22      LEU  59  -1.450   3.267  -3.375
  455   3HD2  LEU  59          HD23      LEU  59  -2.069   4.699  -4.196
  456    H    LYS  60           HN       LYS  60  -1.693   0.413  -7.777
  457    HA   LYS  60           HA       LYS  60  -3.942   1.852  -8.679
  458   1HB   LYS  60          HB2       LYS  60  -3.342   1.217 -10.795
  459   2HB   LYS  60          HB3       LYS  60  -1.824   0.945  -9.956
  460   1HG   LYS  60          HG2       LYS  60  -3.857  -1.209 -10.494
  461   2HG   LYS  60          HG3       LYS  60  -2.478  -0.859 -11.536
  462   1HD   LYS  60          HD2       LYS  60  -0.959  -1.329  -9.669
  463   2HD   LYS  60          HD3       LYS  60  -2.346  -1.695  -8.640
  464   1HE   LYS  60          HE2       LYS  60  -1.291  -3.728  -9.538
  465   2HE   LYS  60          HE3       LYS  60  -2.960  -3.548 -10.076
  466   1HZ   LYS  60          HZ1       LYS  60  -0.562  -2.823 -11.673
  467   2HZ   LYS  60          HZ2       LYS  60  -2.170  -2.718 -12.188
  468   3HZ   LYS  60          HZ3       LYS  60  -1.481  -4.230 -11.876
  469    H    SER  61           HN       SER  61  -3.691  -1.197  -7.197
  470    HA   SER  61           HA       SER  61  -6.039  -2.356  -8.381
  471   1HB   SER  61          HB2       SER  61  -4.386  -3.132  -5.973
  472   2HB   SER  61          HB3       SER  61  -5.763  -4.067  -6.558
  473    HG   SER  61           HG       SER  61  -4.393  -3.777  -8.673
  474    H    ILE  62           HN       ILE  62  -5.285  -0.684  -5.355
  475    HA   ILE  62           HA       ILE  62  -7.981  -1.020  -4.363
  476    HB   ILE  62           HB       ILE  62  -5.675   0.572  -3.247
  477   1HG1  ILE  62          HG12      ILE  62  -6.828  -2.081  -2.359
  478   2HG1  ILE  62          HG13      ILE  62  -5.375  -1.910  -3.338
  479   1HG2  ILE  62          HG21      ILE  62  -6.997   0.646  -1.171
  480   2HG2  ILE  62          HG22      ILE  62  -7.785   1.502  -2.497
  481   3HG2  ILE  62          HG23      ILE  62  -8.349  -0.100  -2.023
  482   1HD1  ILE  62          HD11      ILE  62  -5.759  -0.876  -0.538
  483   2HD1  ILE  62          HD12      ILE  62  -4.819  -2.290  -1.014
  484   3HD1  ILE  62          HD13      ILE  62  -4.305  -0.679  -1.516
  485    H    ALA  63           HN       ALA  63  -5.991   1.726  -5.465
  486    HA   ALA  63           HA       ALA  63  -8.223   3.542  -5.195
  487   1HB   ALA  63          HB1       ALA  63  -5.933   4.252  -4.672
  488   2HB   ALA  63          HB2       ALA  63  -5.497   4.047  -6.369
  489   3HB   ALA  63          HB3       ALA  63  -6.688   5.262  -5.904
  490    H    SER  64           HN       SER  64  -6.126   2.713  -7.969
  491    HA   SER  64           HA       SER  64  -7.827   3.927  -9.868
  492   1HB   SER  64          HB2       SER  64  -5.461   3.624 -10.317
  493   2HB   SER  64          HB3       SER  64  -5.644   1.873 -10.252
  494    HG   SER  64           HG       SER  64  -7.256   3.288 -12.037
  495    H    ALA  65           HN       ALA  65  -7.635   0.600  -8.689
  496    HA   ALA  65           HA       ALA  65  -9.665  -0.184 -10.655
  497   1HB   ALA  65          HB1       ALA  65  -7.771  -1.649 -10.576
  498   2HB   ALA  65          HB2       ALA  65  -7.946  -1.855  -8.835
  499   3HB   ALA  65          HB3       ALA  65  -9.172  -2.499  -9.925
  500    H    ASP  66           HN       ASP  66  -9.134  -0.034  -7.159
  501    HA   ASP  66           HA       ASP  66 -10.553  -0.224  -5.387
  502   1HB   ASP  66          HB2       ASP  66 -11.572   1.744  -6.444
  503   2HB   ASP  66          HB3       ASP  66 -12.584   0.696  -7.432
  504    H    MET  67           HN       MET  67 -10.492  -2.408  -4.989
  505    HA   MET  67           HA       MET  67 -12.389  -4.133  -6.395
  506   1HB   MET  67          HB2       MET  67 -10.192  -4.834  -4.443
  507   2HB   MET  67          HB3       MET  67 -11.191  -5.986  -5.315
  508   1HG   MET  67          HG2       MET  67  -9.537  -3.968  -6.776
  509   2HG   MET  67          HG3       MET  67  -8.834  -5.474  -6.191
  510   1HE   MET  67          HE1       MET  67 -11.695  -4.909  -9.713
  511   2HE   MET  67          HE2       MET  67 -12.138  -4.271  -8.129
  512   3HE   MET  67          HE3       MET  67 -10.680  -3.693  -8.938
  513    H    ASP  68           HN       ASP  68 -12.883  -6.076  -4.549
  514    HA   ASP  68           HA       ASP  68 -14.659  -4.669  -2.694
  515   1HB   ASP  68          HB2       ASP  68 -14.675  -7.566  -3.565
  516   2HB   ASP  68          HB3       ASP  68 -15.880  -6.793  -2.540
  517    H    PHE  69           HN       PHE  69 -13.568  -7.979  -2.238
  518    HA   PHE  69           HA       PHE  69 -11.780  -7.257  -0.081
  519   1HB   PHE  69          HB2       PHE  69 -13.052  -8.657   1.573
  520   2HB   PHE  69          HB3       PHE  69 -13.835  -7.144   1.135
  521    HD1  PHE  69           HD1      PHE  69 -13.969 -10.783   0.901
  522    HD2  PHE  69           HD2      PHE  69 -15.874  -7.131  -0.170
  523    HE1  PHE  69           HE1      PHE  69 -16.004 -12.026   0.295
  524    HE2  PHE  69           HE2      PHE  69 -17.913  -8.368  -0.776
  525    HZ   PHE  69           HZ       PHE  69 -17.985 -10.809  -0.544
  526    H    ASN  70           HN       ASN  70 -13.444  -9.779  -1.896
  527    HA   ASN  70           HA       ASN  70 -11.585 -11.825  -1.068
  528   1HB   ASN  70          HB2       ASN  70 -14.055 -12.156  -1.689
  529   2HB   ASN  70          HB3       ASN  70 -13.527 -12.029  -3.363
  530   1HD2  ASN  70          HD21      ASN  70 -14.731 -14.272  -1.964
  531   2HD2  ASN  70          HD22      ASN  70 -13.619 -15.585  -2.109
  532    H    GLN  71           HN       GLN  71 -11.781  -9.470  -3.552
  533    HA   GLN  71           HA       GLN  71 -10.250 -10.748  -5.551
  534   1HB   GLN  71          HB2       GLN  71 -10.528  -7.796  -4.977
  535   2HB   GLN  71          HB3       GLN  71  -9.931  -8.498  -6.473
  536   1HG   GLN  71          HG2       GLN  71 -12.688  -9.017  -5.402
  537   2HG   GLN  71          HG3       GLN  71 -12.309  -7.693  -6.501
  538   1HE2  GLN  71          HE21      GLN  71 -13.615  -8.485  -8.127
  539   2HE2  GLN  71          HE22      GLN  71 -13.215  -9.893  -9.044
  540    H    LEU  72           HN       LEU  72  -9.246  -8.140  -3.318
  541    HA   LEU  72           HA       LEU  72  -6.496  -8.429  -3.875
  542   1HB   LEU  72          HB2       LEU  72  -7.680  -7.299  -1.342
  543   2HB   LEU  72          HB3       LEU  72  -6.105  -6.964  -2.021
  544    HG   LEU  72           HG       LEU  72  -8.760  -6.098  -3.140
  545   1HD1  LEU  72          HD11      LEU  72  -6.473  -4.455  -2.077
  546   2HD1  LEU  72          HD12      LEU  72  -8.086  -3.899  -2.527
  547   3HD1  LEU  72          HD13      LEU  72  -7.871  -4.935  -1.115
  548   1HD2  LEU  72          HD21      LEU  72  -5.967  -5.659  -4.198
  549   2HD2  LEU  72          HD22      LEU  72  -7.236  -6.615  -4.962
  550   3HD2  LEU  72          HD23      LEU  72  -7.422  -4.868  -4.804
  551    H    GLU  73           HN       GLU  73  -8.613  -9.963  -1.560
  552    HA   GLU  73           HA       GLU  73  -6.928 -10.931   0.353
  553   1HB   GLU  73          HB2       GLU  73  -9.350 -11.317   0.340
  554   2HB   GLU  73          HB3       GLU  73  -9.167 -12.454  -0.989
  555   1HG   GLU  73          HG2       GLU  73  -7.793 -13.890   0.464
  556   2HG   GLU  73          HG3       GLU  73  -8.068 -12.768   1.796
  557    H    ALA  74           HN       ALA  74  -7.598 -12.499  -2.773
  558    HA   ALA  74           HA       ALA  74  -5.564 -14.496  -2.316
  559   1HB   ALA  74          HB1       ALA  74  -6.163 -15.167  -4.687
  560   2HB   ALA  74          HB2       ALA  74  -7.458 -15.261  -3.493
  561   3HB   ALA  74          HB3       ALA  74  -7.397 -13.909  -4.625
  562    H    PHE  75           HN       PHE  75  -5.682 -11.355  -3.651
  563    HA   PHE  75           HA       PHE  75  -3.612 -11.594  -5.575
  564   1HB   PHE  75          HB2       PHE  75  -5.192  -9.746  -5.634
  565   2HB   PHE  75          HB3       PHE  75  -4.602  -9.162  -4.083
  566    HD1  PHE  75           HD1      PHE  75  -2.597  -7.891  -3.922
  567    HD2  PHE  75           HD2      PHE  75  -3.779  -9.586  -7.642
  568    HE1  PHE  75           HE1      PHE  75  -0.919  -6.514  -5.079
  569    HE2  PHE  75           HE2      PHE  75  -2.101  -8.213  -8.804
  570    HZ   PHE  75           HZ       PHE  75  -0.670  -6.679  -7.529
  571    H    LEU  76           HN       LEU  76  -3.627 -10.687  -2.154
  572    HA   LEU  76           HA       LEU  76  -0.927  -9.912  -2.008
  573   1HB   LEU  76          HB2       LEU  76  -2.960  -9.761  -0.297
  574   2HB   LEU  76          HB3       LEU  76  -2.207 -11.208   0.342
  575    HG   LEU  76           HG       LEU  76  -1.476  -9.200   1.539
  576   1HD1  LEU  76          HD11      LEU  76   0.742 -10.384  -0.118
  577   2HD1  LEU  76          HD12      LEU  76   0.906  -9.581   1.443
  578   3HD1  LEU  76          HD13      LEU  76   0.046 -11.116   1.329
  579   1HD2  LEU  76          HD21      LEU  76   0.107  -7.661   0.274
  580   2HD2  LEU  76          HD22      LEU  76  -0.605  -8.324  -1.194
  581   3HD2  LEU  76          HD23      LEU  76  -1.617  -7.470  -0.031
  582    H    THR  77           HN       THR  77  -2.511 -13.043  -1.647
  583    HA   THR  77           HA       THR  77  -0.358 -14.530  -0.684
  584    HB   THR  77           HB       THR  77  -2.488 -15.477  -2.617
  585    HG1  THR  77           HG1      THR  77  -3.488 -16.164  -0.577
  586   1HG2  THR  77          HG21      THR  77  -2.073 -17.687  -1.650
  587   2HG2  THR  77          HG22      THR  77  -0.792 -17.011  -0.642
  588   3HG2  THR  77          HG23      THR  77  -0.612 -17.039  -2.397
  589    H    ALA  78           HN       ALA  78  -1.012 -13.233  -3.823
  590    HA   ALA  78           HA       ALA  78   0.807 -14.883  -5.283
  591   1HB   ALA  78          HB1       ALA  78  -1.092 -13.755  -6.354
  592   2HB   ALA  78          HB2       ALA  78  -0.357 -12.191  -6.005
  593   3HB   ALA  78          HB3       ALA  78   0.440 -13.313  -7.109
  594    H    GLN  79           HN       GLN  79   1.062 -11.937  -3.456
  595    HA   GLN  79           HA       GLN  79   3.592 -11.139  -4.537
  596   1HB   GLN  79          HB2       GLN  79   2.461 -10.284  -1.880
  597   2HB   GLN  79          HB3       GLN  79   3.568  -9.402  -2.923
  598   1HG   GLN  79          HG2       GLN  79   1.669  -9.371  -4.621
  599   2HG   GLN  79          HG3       GLN  79   0.633  -9.873  -3.288
  600   1HE2  GLN  79          HE21      GLN  79   2.194  -8.353  -1.331
  601   2HE2  GLN  79          HE22      GLN  79   1.762  -6.697  -1.567
  602    H    THR  80           HN       THR  80   2.613 -13.521  -2.373
  603    HA   THR  80           HA       THR  80   5.243 -13.592  -1.060
  604    HB   THR  80           HB       THR  80   4.229 -15.078   0.600
  605    HG1  THR  80           HG1      THR  80   1.808 -14.670  -0.853
  606   1HG2  THR  80          HG21      THR  80   2.579 -12.593   0.119
  607   2HG2  THR  80          HG22      THR  80   4.111 -12.665   0.990
  608   3HG2  THR  80          HG23      THR  80   2.688 -13.477   1.640
  609    H    LYS  81           HN       LYS  81   3.611 -14.936  -3.619
  610    HA   LYS  81           HA       LYS  81   5.209 -17.407  -3.460
  611   1HB   LYS  81          HB2       LYS  81   3.481 -18.570  -4.709
  612   2HB   LYS  81          HB3       LYS  81   2.797 -17.872  -3.252
  613   1HG   LYS  81          HG2       LYS  81   1.919 -16.011  -4.599
  614   2HG   LYS  81          HG3       LYS  81   2.550 -16.793  -6.049
  615   1HD   LYS  81          HD2       LYS  81   1.152 -18.771  -5.546
  616   2HD   LYS  81          HD3       LYS  81   0.476 -17.909  -4.162
  617   1HE   LYS  81          HE2       LYS  81  -1.007 -17.797  -6.104
  618   2HE   LYS  81          HE3       LYS  81  -0.421 -16.200  -5.643
  619   1HZ   LYS  81          HZ1       LYS  81   0.654 -17.861  -7.857
  620   2HZ   LYS  81          HZ2       LYS  81   1.213 -16.327  -7.417
  621   3HZ   LYS  81          HZ3       LYS  81  -0.350 -16.511  -8.035
  622    H    LYS  82           HN       LYS  82   5.291 -14.551  -4.831
  623    HA   LYS  82           HA       LYS  82   5.709 -15.385  -7.594
  624   1HB   LYS  82          HB2       LYS  82   6.018 -13.008  -8.062
  625   2HB   LYS  82          HB3       LYS  82   4.523 -13.275  -7.177
  626   1HG   LYS  82          HG2       LYS  82   5.386 -12.349  -5.220
  627   2HG   LYS  82          HG3       LYS  82   7.052 -12.521  -5.772
  628   1HD   LYS  82          HD2       LYS  82   6.503 -10.212  -5.926
  629   2HD   LYS  82          HD3       LYS  82   6.529 -10.852  -7.571
  630   1HE   LYS  82          HE2       LYS  82   4.030 -11.140  -7.366
  631   2HE   LYS  82          HE3       LYS  82   4.132 -10.214  -5.869
  632   1HZ   LYS  82          HZ1       LYS  82   4.990  -9.252  -8.543
  633   2HZ   LYS  82          HZ2       LYS  82   5.057  -8.365  -7.105
  634   3HZ   LYS  82          HZ3       LYS  82   3.560  -8.811  -7.754
  635    H    GLN  83           HN       GLN  83   7.713 -13.810  -8.467
  636    HA   GLN  83           HA       GLN  83  10.038 -15.174  -7.521
  637   1HB   GLN  83          HB2       GLN  83   9.911 -12.802  -9.391
  638   2HB   GLN  83          HB3       GLN  83  11.232 -13.951  -9.231
  639   1HG   GLN  83          HG2       GLN  83   8.467 -14.571 -10.248
  640   2HG   GLN  83          HG3       GLN  83   9.916 -14.370 -11.233
  641   1HE2  GLN  83          HE21      GLN  83  11.495 -15.971 -11.216
  642   2HE2  GLN  83          HE22      GLN  83  11.186 -17.560 -10.612
  643    H    GLY  84           HN       GLY  84  10.408 -14.630  -5.396
  644   1HA   GLY  84          HA1       GLY  84  11.660 -13.368  -3.866
  645   2HA   GLY  84          HA2       GLY  84  11.571 -11.994  -4.962
  646    H    GLY  85           HN       GLY  85   9.286 -11.106  -5.253
  647   1HA   GLY  85          HA1       GLY  85   7.564  -9.950  -4.283
  648   2HA   GLY  85          HA2       GLY  85   7.201 -11.477  -3.497
  649    H    ILE  86           HN       ILE  86   6.521 -10.557  -1.594
  650    HA   ILE  86           HA       ILE  86   8.516  -9.023  -0.073
  651    HB   ILE  86           HB       ILE  86   6.673  -8.264   1.322
  652   1HG1  ILE  86          HG12      ILE  86   4.911  -9.903  -0.518
  653   2HG1  ILE  86          HG13      ILE  86   5.291 -10.315   1.150
  654   1HG2  ILE  86          HG21      ILE  86   6.158  -7.974  -1.638
  655   2HG2  ILE  86          HG22      ILE  86   5.460  -6.944  -0.385
  656   3HG2  ILE  86          HG23      ILE  86   7.204  -6.961  -0.644
  657   1HD1  ILE  86          HD11      ILE  86   4.172  -8.273   1.896
  658   2HD1  ILE  86          HD12      ILE  86   3.772  -7.892   0.221
  659   3HD1  ILE  86          HD13      ILE  86   3.091  -9.329   0.984
  660    H    THR  87           HN       THR  87   8.205  -9.376   2.402
  661    HA   THR  87           HA       THR  87   8.650 -12.208   2.877
  662    HB   THR  87           HB       THR  87   9.449 -11.552   5.076
  663    HG1  THR  87           HG1      THR  87   9.457  -9.247   5.568
  664   1HG2  THR  87          HG21      THR  87  10.477  -9.695   2.926
  665   2HG2  THR  87          HG22      THR  87  11.015 -11.351   3.208
  666   3HG2  THR  87          HG23      THR  87  11.319 -10.108   4.421
  667    H    SER  88           HN       SER  88   7.904 -12.670   5.389
  668    HA   SER  88           HA       SER  88   5.081 -13.022   5.186
  669   1HB   SER  88          HB2       SER  88   5.313 -14.024   7.469
  670   2HB   SER  88          HB3       SER  88   6.405 -14.726   6.275
  671    HG   SER  88           HG       SER  88   7.829 -12.865   7.213
  672    H    ASP  89           HN       ASP  89   7.145 -11.166   7.410
  673    HA   ASP  89           HA       ASP  89   5.180 -10.003   8.967
  674   1HB   ASP  89          HB2       ASP  89   7.540  -9.806   9.513
  675   2HB   ASP  89          HB3       ASP  89   7.819  -8.824   8.077
  676    H    GLN  90           HN       GLN  90   6.168  -9.216   5.719
  677    HA   GLN  90           HA       GLN  90   4.873  -6.664   5.625
  678   1HB   GLN  90          HB2       GLN  90   6.005  -8.503   3.527
  679   2HB   GLN  90          HB3       GLN  90   5.153  -7.028   3.093
  680   1HG   GLN  90          HG2       GLN  90   6.842  -5.912   4.736
  681   2HG   GLN  90          HG3       GLN  90   7.786  -7.372   4.442
  682   1HE2  GLN  90          HE21      GLN  90   9.411  -6.264   3.365
  683   2HE2  GLN  90          HE22      GLN  90   9.192  -5.604   1.783
  684    H    ALA  91           HN       ALA  91   4.110  -9.839   4.213
  685    HA   ALA  91           HA       ALA  91   1.687  -9.209   3.036
  686   1HB   ALA  91          HB1       ALA  91   2.474 -11.823   4.312
  687   2HB   ALA  91          HB2       ALA  91   1.190 -11.593   3.125
  688   3HB   ALA  91          HB3       ALA  91   2.872 -11.314   2.671
  689    H    ALA  92           HN       ALA  92   2.440  -9.456   6.368
  690    HA   ALA  92           HA       ALA  92  -0.144 -10.164   7.326
  691   1HB   ALA  92          HB1       ALA  92   1.886 -10.531   8.635
  692   2HB   ALA  92          HB2       ALA  92   2.111  -8.787   8.772
  693   3HB   ALA  92          HB3       ALA  92   0.709  -9.557   9.517
  694    H    VAL  93           HN       VAL  93   1.496  -7.046   6.835
  695    HA   VAL  93           HA       VAL  93  -0.781  -5.626   7.930
  696    HB   VAL  93           HB       VAL  93   1.859  -5.017   7.918
  697   1HG1  VAL  93          HG11      VAL  93   1.883  -4.494   5.526
  698   2HG1  VAL  93          HG12      VAL  93   0.632  -3.277   5.782
  699   3HG1  VAL  93          HG13      VAL  93   2.225  -3.070   6.507
  700   1HG2  VAL  93          HG21      VAL  93   1.177  -2.823   8.746
  701   2HG2  VAL  93          HG22      VAL  93  -0.443  -3.085   8.101
  702   3HG2  VAL  93          HG23      VAL  93   0.166  -4.111   9.401
  703    H    ILE  94           HN       ILE  94   0.510  -6.367   4.755
  704    HA   ILE  94           HA       ILE  94  -1.108  -4.405   3.410
  705    HB   ILE  94           HB       ILE  94   0.198  -6.772   2.095
  706   1HG1  ILE  94          HG12      ILE  94   1.486  -4.092   2.646
  707   2HG1  ILE  94          HG13      ILE  94   1.796  -5.539   3.603
  708   1HG2  ILE  94          HG21      ILE  94   0.346  -5.215   0.189
  709   2HG2  ILE  94          HG22      ILE  94  -1.319  -5.485   0.707
  710   3HG2  ILE  94          HG23      ILE  94  -0.490  -3.992   1.146
  711   1HD1  ILE  94          HD11      ILE  94   2.652  -6.661   1.616
  712   2HD1  ILE  94          HD12      ILE  94   2.352  -5.204   0.668
  713   3HD1  ILE  94          HD13      ILE  94   3.543  -5.180   1.968
  714    H    SER  95           HN       SER  95  -1.311  -7.931   3.859
  715    HA   SER  95           HA       SER  95  -3.459  -8.482   2.196
  716   1HB   SER  95          HB2       SER  95  -2.180 -10.237   3.316
  717   2HB   SER  95          HB3       SER  95  -2.823  -9.731   4.878
  718    HG   SER  95           HG       SER  95  -4.675 -10.326   2.893
  719    H    LYS  96           HN       LYS  96  -3.447  -6.558   4.981
  720    HA   LYS  96           HA       LYS  96  -6.224  -6.975   5.673
  721   1HB   LYS  96          HB2       LYS  96  -4.674  -4.673   6.740
  722   2HB   LYS  96          HB3       LYS  96  -5.795  -5.749   7.563
  723   1HG   LYS  96          HG2       LYS  96  -3.748  -7.439   6.896
  724   2HG   LYS  96          HG3       LYS  96  -2.905  -5.931   7.256
  725   1HD   LYS  96          HD2       LYS  96  -3.053  -7.132   9.296
  726   2HD   LYS  96          HD3       LYS  96  -4.233  -5.821   9.386
  727   1HE   LYS  96          HE2       LYS  96  -6.023  -7.357   8.816
  728   2HE   LYS  96          HE3       LYS  96  -4.863  -8.672   8.632
  729   1HZ   LYS  96          HZ1       LYS  96  -4.330  -8.500  10.971
  730   2HZ   LYS  96          HZ2       LYS  96  -5.993  -8.741  10.776
  731   3HZ   LYS  96          HZ3       LYS  96  -5.401  -7.203  11.156
  732    H    PHE  97           HN       PHE  97  -4.844  -5.437   3.186
  733    HA   PHE  97           HA       PHE  97  -5.777  -2.855   3.132
  734   1HB   PHE  97          HB2       PHE  97  -5.882  -3.251   0.556
  735   2HB   PHE  97          HB3       PHE  97  -4.344  -3.286   1.404
  736    HD1  PHE  97           HD1      PHE  97  -3.525  -4.412  -0.650
  737    HD2  PHE  97           HD2      PHE  97  -6.411  -6.222   1.899
  738    HE1  PHE  97           HE1      PHE  97  -3.004  -6.611  -1.624
  739    HE2  PHE  97           HE2      PHE  97  -5.885  -8.420   0.932
  740    HZ   PHE  97           HZ       PHE  97  -4.182  -8.614  -0.828
  741    H    TRP  98           HN       TRP  98  -7.784  -5.695   2.922
  742    HA   TRP  98           HA       TRP  98  -9.962  -3.938   1.997
  743   1HB   TRP  98          HB2       TRP  98 -11.167  -5.993   1.291
  744   2HB   TRP  98          HB3       TRP  98  -9.675  -5.697   0.412
  745    HD1  TRP  98           HD1      TRP  98  -7.914  -7.573   0.400
  746    HE1  TRP  98           HE1      TRP  98  -7.754  -9.914   1.450
  747    HE3  TRP  98           HE3      TRP  98 -11.936  -7.334   3.545
  748    HZ2  TRP  98           HZ2      TRP  98  -9.145 -11.457   3.346
  749    HZ3  TRP  98           HZ3      TRP  98 -12.456  -9.291   4.942
  750    HH2  TRP  98           HH2      TRP  98 -11.089 -11.311   4.844
  751    H    LYS  99           HN       LYS  99  -8.829  -5.129   4.797
  752    HA   LYS  99           HA       LYS  99 -11.149  -6.230   6.003
  753   1HB   LYS  99          HB2       LYS  99  -8.936  -4.742   7.428
  754   2HB   LYS  99          HB3       LYS  99 -10.022  -5.953   8.099
  755   1HG   LYS  99          HG2       LYS  99  -7.838  -6.390   6.088
  756   2HG   LYS  99          HG3       LYS  99  -7.908  -6.979   7.753
  757   1HD   LYS  99          HD2       LYS  99  -9.914  -7.751   5.677
  758   2HD   LYS  99          HD3       LYS  99  -8.440  -8.670   6.002
  759   1HE   LYS  99          HE2       LYS  99 -10.916  -8.597   7.461
  760   2HE   LYS  99          HE3       LYS  99  -9.549  -9.697   7.597
  761   1HZ   LYS  99          HZ1       LYS  99  -8.451  -7.939   8.965
  762   2HZ   LYS  99          HZ2       LYS  99  -9.789  -8.684   9.682
  763   3HZ   LYS  99          HZ3       LYS  99  -9.942  -7.139   9.014
  764    H    SER 100           HN       SER 100 -10.181  -3.030   5.255
  765    HA   SER 100           HA       SER 100 -11.761  -1.625   7.150
  766   1HB   SER 100          HB2       SER 100  -9.963  -0.505   5.901
  767   2HB   SER 100          HB3       SER 100 -10.828  -0.780   4.389
  768    HG   SER 100           HG       SER 100 -12.010   0.903   4.799
  769    H    HIS 101           HN       HIS 101 -12.427  -3.523   4.484
  770    HA   HIS 101           HA       HIS 101 -15.258  -2.819   4.548
  771   1HB   HIS 101          HB2       HIS 101 -13.639  -3.033   1.997
  772   2HB   HIS 101          HB3       HIS 101 -15.381  -2.825   2.088
  773    HD1  HIS 101           HD1      HIS 101 -16.232  -0.480   2.981
  774    HD2  HIS 101           HD2      HIS 101 -12.159  -0.721   2.196
  775    HE1  HIS 101           HE1      HIS 101 -15.422   1.899   2.899
  776    HE2  HIS 101           HE2      HIS 101 -12.969   1.730   2.349
  777    H    LYS 102           HN       LYS 102 -14.766  -4.902   5.851
  778    HA   LYS 102           HA       LYS 102 -14.138  -7.273   4.459
  779   1HB   LYS 102          HB2       LYS 102 -15.379  -6.756   7.153
  780   2HB   LYS 102          HB3       LYS 102 -15.045  -8.374   6.553
  781   1HG   LYS 102          HG2       LYS 102 -12.663  -7.792   6.370
  782   2HG   LYS 102          HG3       LYS 102 -13.023  -6.201   7.040
  783   1HD   LYS 102          HD2       LYS 102 -12.203  -7.595   8.810
  784   2HD   LYS 102          HD3       LYS 102 -13.929  -7.332   9.068
  785   1HE   LYS 102          HE2       LYS 102 -14.419  -9.516   8.109
  786   2HE   LYS 102          HE3       LYS 102 -12.705  -9.776   7.790
  787   1HZ   LYS 102          HZ1       LYS 102 -12.283  -9.708  10.162
  788   2HZ   LYS 102          HZ2       LYS 102 -13.426 -10.903   9.804
  789   3HZ   LYS 102          HZ3       LYS 102 -13.923  -9.434  10.477
  790    H    THR 103           HN       THR 103 -15.951  -9.041   5.396
  791    HA   THR 103           HA       THR 103 -17.898  -9.050   3.345
  792    HB   THR 103           HB       THR 103 -18.851 -11.022   4.512
  793    HG1  THR 103           HG1      THR 103 -18.377 -11.382   6.546
  794   1HG2  THR 103          HG21      THR 103 -16.869 -12.458   4.320
  795   2HG2  THR 103          HG22      THR 103 -15.837 -11.028   4.299
  796   3HG2  THR 103          HG23      THR 103 -16.970 -11.317   2.979
  797    H    LYS 104           HN       LYS 104 -18.130  -8.529   6.843
  798    HA   LYS 104           HA       LYS 104 -20.932  -7.880   6.676
  799   1HB   LYS 104          HB2       LYS 104 -19.092  -7.517   9.039
  800   2HB   LYS 104          HB3       LYS 104 -20.845  -7.631   9.059
  801   1HG   LYS 104          HG2       LYS 104 -18.936  -9.843   8.331
  802   2HG   LYS 104          HG3       LYS 104 -19.821  -9.687   9.849
  803   1HD   LYS 104          HD2       LYS 104 -21.943  -9.806   8.561
  804   2HD   LYS 104          HD3       LYS 104 -20.997 -10.101   7.100
  805   1HE   LYS 104          HE2       LYS 104 -21.833 -12.190   8.034
  806   2HE   LYS 104          HE3       LYS 104 -20.072 -12.126   8.103
  807   1HZ   LYS 104          HZ1       LYS 104 -21.002 -12.978  10.160
  808   2HZ   LYS 104          HZ2       LYS 104 -21.913 -11.568  10.367
  809   3HZ   LYS 104          HZ3       LYS 104 -20.224 -11.500  10.434
  810    H    ILE 105           HN       ILE 105 -18.087  -6.239   6.082
  811    HA   ILE 105           HA       ILE 105 -19.231  -3.642   6.854
  812    HB   ILE 105           HB       ILE 105 -16.413  -4.222   5.947
  813   1HG1  ILE 105          HG12      ILE 105 -17.413  -3.673   8.743
  814   2HG1  ILE 105          HG13      ILE 105 -17.102  -5.295   8.132
  815   1HG2  ILE 105          HG21      ILE 105 -17.587  -1.798   7.299
  816   2HG2  ILE 105          HG22      ILE 105 -15.926  -1.992   6.742
  817   3HG2  ILE 105          HG23      ILE 105 -17.244  -1.915   5.572
  818   1HD1  ILE 105          HD11      ILE 105 -15.078  -3.088   8.385
  819   2HD1  ILE 105          HD12      ILE 105 -15.251  -4.469   9.467
  820   3HD1  ILE 105          HD13      ILE 105 -14.764  -4.718   7.791
  821    H    ARG 106           HN       ARG 106 -16.912  -4.267   4.283
  822    HA   ARG 106           HA       ARG 106 -16.946  -3.948   2.035
  823   1HB   ARG 106          HB2       ARG 106 -19.064  -5.241   2.068
  824   2HB   ARG 106          HB3       ARG 106 -19.949  -3.737   2.284
  825   1HG   ARG 106          HG2       ARG 106 -19.194  -2.939   0.133
  826   2HG   ARG 106          HG3       ARG 106 -18.201  -4.381  -0.080
  827   1HD   ARG 106          HD2       ARG 106 -20.222  -5.768  -0.024
  828   2HD   ARG 106          HD3       ARG 106 -21.205  -4.316   0.165
  829    HE   ARG 106           HE       ARG 106 -19.762  -3.883  -2.114
  830   1HH1  ARG 106          HH12      ARG 106 -21.939  -6.366  -1.004
  831   2HH1  ARG 106          HH11      ARG 106 -22.515  -6.749  -2.591
  832   1HH2  ARG 106          HH22      ARG 106 -20.514  -4.382  -4.208
  833   2HH2  ARG 106          HH21      ARG 106 -21.704  -5.624  -4.412
  834    H    GLU 107           HN       GLU 107 -18.954  -1.766   3.946
  835    HA   GLU 107           HA       GLU 107 -17.736   0.483   2.544
  836   1HB   GLU 107          HB2       GLU 107 -20.722   0.175   2.914
  837   2HB   GLU 107          HB3       GLU 107 -19.922   1.636   2.354
  838   1HG   GLU 107          HG2       GLU 107 -19.085   0.408   0.400
  839   2HG   GLU 107          HG3       GLU 107 -19.944  -1.028   0.953
  840    H    SER 108           HN       SER 108 -20.499   0.383   4.752
  841    HA   SER 108           HA       SER 108 -20.857   1.334   6.785
  842   1HB   SER 108          HB2       SER 108 -17.999   0.426   7.177
  843   2HB   SER 108          HB3       SER 108 -19.048   0.992   8.478
  844    HG   SER 108           HG       SER 108 -20.341  -0.867   7.063
  Start of MODEL    4
    1   1H    MET   1          H1        MET   1  19.984  -7.414   4.858
    2   2H    MET   1          H2        MET   1  19.758  -7.723   6.506
    3   3H    MET   1          H3        MET   1  18.803  -6.566   5.726
    4    HA   MET   1           HA       MET   1  17.827  -8.286   4.334
    5   1HB   MET   1          HB2       MET   1  19.455 -10.123   6.103
    6   2HB   MET   1          HB3       MET   1  18.210 -10.652   4.979
    7   1HG   MET   1          HG2       MET   1  19.491  -9.869   3.106
    8   2HG   MET   1          HG3       MET   1  20.696  -9.157   4.178
    9   1HE   MET   1          HE1       MET   1  22.352 -10.548   5.681
   10   2HE   MET   1          HE2       MET   1  21.004 -11.404   6.430
   11   3HE   MET   1          HE3       MET   1  22.366 -12.310   5.770
   12    H    ALA   2           HN       ALA   2  18.259  -7.444   7.568
   13    HA   ALA   2           HA       ALA   2  15.753  -8.719   8.408
   14   1HB   ALA   2          HB1       ALA   2  17.840  -7.319  10.076
   15   2HB   ALA   2          HB2       ALA   2  16.421  -8.171  10.684
   16   3HB   ALA   2          HB3       ALA   2  17.698  -9.063   9.858
   17    H    ALA   3           HN       ALA   3  17.266  -5.622   7.847
   18    HA   ALA   3           HA       ALA   3  14.786  -4.261   8.659
   19   1HB   ALA   3          HB1       ALA   3  16.108  -2.230   8.849
   20   2HB   ALA   3          HB2       ALA   3  16.809  -3.517   9.830
   21   3HB   ALA   3          HB3       ALA   3  17.540  -3.088   8.282
   22    H    GLY   4           HN       GLY   4  14.885  -1.947   7.320
   23   1HA   GLY   4          HA1       GLY   4  15.207  -2.602   4.474
   24   2HA   GLY   4          HA2       GLY   4  13.637  -2.058   5.046
   25    H    GLU   5           HN       GLU   5  13.333  -0.062   4.344
   26    HA   GLU   5           HA       GLU   5  15.200   2.018   5.106
   27   1HB   GLU   5          HB2       GLU   5  15.327   2.952   2.814
   28   2HB   GLU   5          HB3       GLU   5  16.108   1.383   2.952
   29   1HG   GLU   5          HG2       GLU   5  14.122   0.324   1.974
   30   2HG   GLU   5          HG3       GLU   5  13.380   1.914   1.798
   31    H    LEU   6           HN       LEU   6  12.470   1.221   5.751
   32    HA   LEU   6           HA       LEU   6  11.201   3.801   5.355
   33   1HB   LEU   6          HB2       LEU   6   9.036   2.387   4.805
   34   2HB   LEU   6          HB3       LEU   6  10.107   2.970   3.545
   35    HG   LEU   6           HG       LEU   6  11.239   0.744   3.568
   36   1HD1  LEU   6          HD11      LEU   6  10.058  -1.139   4.604
   37   2HD1  LEU   6          HD12      LEU   6  10.624   0.023   5.802
   38   3HD1  LEU   6          HD13      LEU   6   8.922  -0.012   5.343
   39   1HD2  LEU   6          HD21      LEU   6   8.285   0.753   2.961
   40   2HD2  LEU   6          HD22      LEU   6   9.577   1.286   1.884
   41   3HD2  LEU   6          HD23      LEU   6   9.457  -0.412   2.344
   42    H    GLU   7           HN       GLU   7  12.243   2.799   7.635
   43    HA   GLU   7           HA       GLU   7  11.768   2.669   9.856
   44   1HB   GLU   7          HB2       GLU   7   8.848   2.643   9.116
   45   2HB   GLU   7          HB3       GLU   7   9.540   3.032  10.680
   46   1HG   GLU   7          HG2       GLU   7   9.945   4.648   8.176
   47   2HG   GLU   7          HG3       GLU   7   8.744   4.997   9.418
   48    H    GLY   8           HN       GLY   8   9.137   0.813   8.306
   49   1HA   GLY   8          HA1       GLY   8  10.137  -1.723   8.535
   50   2HA   GLY   8          HA2       GLY   8   9.464  -1.377  10.121
   51    H    GLY   9           HN       GLY   9   7.786  -2.831  10.041
   52   1HA   GLY   9          HA1       GLY   9   5.983  -2.857   7.771
   53   2HA   GLY   9          HA2       GLY   9   5.864  -3.854   9.213
   54    H    LYS  10           HN       LYS  10   6.157  -1.259  10.820
   55    HA   LYS  10           HA       LYS  10   3.476  -0.893  11.436
   56   1HB   LYS  10          HB2       LYS  10   5.228  -0.246  12.976
   57   2HB   LYS  10          HB3       LYS  10   5.797   0.992  11.865
   58   1HG   LYS  10          HG2       LYS  10   3.692   2.204  12.133
   59   2HG   LYS  10          HG3       LYS  10   3.120   0.961  13.248
   60   1HD   LYS  10          HD2       LYS  10   5.606   2.611  13.680
   61   2HD   LYS  10          HD3       LYS  10   4.026   3.009  14.357
   62   1HE   LYS  10          HE2       LYS  10   5.570   0.467  14.860
   63   2HE   LYS  10          HE3       LYS  10   5.443   1.828  15.973
   64   1HZ   LYS  10          HZ1       LYS  10   3.173   0.166  15.016
   65   2HZ   LYS  10          HZ2       LYS  10   3.060   1.461  16.100
   66   3HZ   LYS  10          HZ3       LYS  10   3.897   0.058  16.543
   67    HA   PRO  11           HA       PRO  11   3.295   2.975   8.654
   68   1HB   PRO  11          HB2       PRO  11   5.283   3.603   6.984
   69   2HB   PRO  11          HB3       PRO  11   5.362   4.038   8.699
   70   1HG   PRO  11          HG2       PRO  11   6.655   1.754   7.263
   71   2HG   PRO  11          HG3       PRO  11   7.332   2.831   8.498
   72   1HD   PRO  11          HD2       PRO  11   6.351   0.320   9.018
   73   2HD   PRO  11          HD3       PRO  11   6.429   1.618  10.219
   74    H    LEU  12           HN       LEU  12   5.093   0.338   7.133
   75    HA   LEU  12           HA       LEU  12   4.203   0.522   4.534
   76   1HB   LEU  12          HB2       LEU  12   5.896  -1.091   5.505
   77   2HB   LEU  12          HB3       LEU  12   4.539  -2.087   5.998
   78    HG   LEU  12           HG       LEU  12   3.960  -1.760   3.381
   79   1HD1  LEU  12          HD11      LEU  12   5.980  -0.494   2.915
   80   2HD1  LEU  12          HD12      LEU  12   6.967  -1.812   3.547
   81   3HD1  LEU  12          HD13      LEU  12   6.009  -2.050   2.083
   82   1HD2  LEU  12          HD21      LEU  12   5.812  -3.859   4.502
   83   2HD2  LEU  12          HD22      LEU  12   4.054  -3.866   4.654
   84   3HD2  LEU  12          HD23      LEU  12   4.803  -4.007   3.062
   85    H    SER  13           HN       SER  13   2.386  -0.248   7.332
   86    HA   SER  13           HA       SER  13   0.376  -1.890   6.364
   87   1HB   SER  13          HB2       SER  13  -1.046  -0.913   8.140
   88   2HB   SER  13          HB3       SER  13   0.566  -1.336   8.720
   89    HG   SER  13           HG       SER  13   0.793   1.115   7.921
   90    H    GLY  14           HN       GLY  14   0.067   1.652   6.711
   91   1HA   GLY  14          HA1       GLY  14  -1.980   1.614   4.618
   92   2HA   GLY  14          HA2       GLY  14  -1.624   2.959   5.692
   93    H    LEU  15           HN       LEU  15   0.314   1.002   3.467
   94    HA   LEU  15           HA       LEU  15   1.734   3.336   2.545
   95   1HB   LEU  15          HB2       LEU  15   2.323   0.678   2.780
   96   2HB   LEU  15          HB3       LEU  15   2.068   0.837   1.057
   97    HG   LEU  15           HG       LEU  15   4.434   1.084   1.677
   98   1HD1  LEU  15          HD11      LEU  15   3.171   3.620   0.652
   99   2HD1  LEU  15          HD12      LEU  15   4.849   3.131   0.430
  100   3HD1  LEU  15          HD13      LEU  15   3.555   2.195  -0.314
  101   1HD2  LEU  15          HD21      LEU  15   3.585   2.358   3.882
  102   2HD2  LEU  15          HD22      LEU  15   5.212   2.541   3.226
  103   3HD2  LEU  15          HD23      LEU  15   3.976   3.748   2.869
  104    H    LEU  16           HN       LEU  16  -0.735   1.158   1.367
  105    HA   LEU  16           HA       LEU  16  -0.739   1.941  -1.331
  106   1HB   LEU  16          HB2       LEU  16  -3.185   1.109   0.228
  107   2HB   LEU  16          HB3       LEU  16  -2.899   0.925  -1.492
  108    HG   LEU  16           HG       LEU  16  -2.594  -1.229  -0.746
  109   1HD1  LEU  16          HD11      LEU  16  -0.597  -0.519  -1.975
  110   2HD1  LEU  16          HD12      LEU  16   0.177  -0.079  -0.452
  111   3HD1  LEU  16          HD13      LEU  16  -0.227  -1.764  -0.781
  112   1HD2  LEU  16          HD21      LEU  16  -0.888  -0.623   1.600
  113   2HD2  LEU  16          HD22      LEU  16  -2.613  -0.270   1.728
  114   3HD2  LEU  16          HD23      LEU  16  -2.071  -1.906   1.355
  115    H    ASN  17           HN       ASN  17  -1.687   3.474   1.528
  116    HA   ASN  17           HA       ASN  17  -3.599   5.313   0.524
  117   1HB   ASN  17          HB2       ASN  17  -3.637   5.005   2.847
  118   2HB   ASN  17          HB3       ASN  17  -1.884   5.134   2.986
  119   1HD2  ASN  17          HD21      ASN  17  -0.935   7.156   3.046
  120   2HD2  ASN  17          HD22      ASN  17  -1.840   8.602   3.317
  121    H    ALA  18           HN       ALA  18  -0.195   5.777   1.490
  122    HA   ALA  18           HA       ALA  18   0.148   8.368   0.546
  123   1HB   ALA  18          HB1       ALA  18   2.596   7.667   0.347
  124   2HB   ALA  18          HB2       ALA  18   1.825   7.528   1.925
  125   3HB   ALA  18          HB3       ALA  18   2.059   6.092   0.931
  126    H    LEU  19           HN       LEU  19   0.422   5.282  -1.103
  127    HA   LEU  19           HA       LEU  19   1.536   6.267  -3.521
  128   1HB   LEU  19          HB2       LEU  19  -0.010   3.723  -3.044
  129   2HB   LEU  19          HB3       LEU  19   1.045   4.057  -4.406
  130    HG   LEU  19           HG       LEU  19   2.045   4.021  -1.566
  131   1HD1  LEU  19          HD11      LEU  19   0.996   1.843  -2.230
  132   2HD1  LEU  19          HD12      LEU  19   2.191   1.740  -3.524
  133   3HD1  LEU  19          HD13      LEU  19   2.713   1.757  -1.838
  134   1HD2  LEU  19          HD21      LEU  19   3.460   5.176  -3.163
  135   2HD2  LEU  19          HD22      LEU  19   4.207   3.657  -2.671
  136   3HD2  LEU  19          HD23      LEU  19   3.414   3.780  -4.240
  137    H    ALA  20           HN       ALA  20  -1.295   7.180  -2.369
  138    HA   ALA  20           HA       ALA  20  -3.114   6.586  -4.470
  139   1HB   ALA  20          HB1       ALA  20  -3.847   7.260  -2.220
  140   2HB   ALA  20          HB2       ALA  20  -3.210   8.878  -2.516
  141   3HB   ALA  20          HB3       ALA  20  -4.549   8.267  -3.488
  142    H    GLN  21           HN       GLN  21  -0.961   9.314  -3.809
  143    HA   GLN  21           HA       GLN  21  -0.251  11.058  -5.085
  144   1HB   GLN  21          HB2       GLN  21  -0.445   8.765  -6.862
  145   2HB   GLN  21          HB3       GLN  21  -0.677  10.277  -7.729
  146   1HG   GLN  21          HG2       GLN  21   1.622   9.790  -7.840
  147   2HG   GLN  21          HG3       GLN  21   1.450  11.089  -6.661
  148   1HE2  GLN  21          HE21      GLN  21   3.613   9.198  -6.967
  149   2HE2  GLN  21          HE22      GLN  21   3.736   8.340  -5.473
  150    H    ASP  22           HN       ASP  22  -3.180  10.676  -4.442
  151    HA   ASP  22           HA       ASP  22  -5.160  11.732  -4.797
  152   1HB   ASP  22          HB2       ASP  22  -3.788  13.741  -4.485
  153   2HB   ASP  22          HB3       ASP  22  -3.399  13.751  -6.203
  154    H    THR  23           HN       THR  23  -5.994  10.091  -6.133
  155    HA   THR  23           HA       THR  23  -5.660  10.292  -9.001
  156    HB   THR  23           HB       THR  23  -7.042   8.309  -9.148
  157    HG1  THR  23           HG1      THR  23  -7.537   8.814  -6.391
  158   1HG2  THR  23          HG21      THR  23  -5.702   6.756  -7.845
  159   2HG2  THR  23          HG22      THR  23  -5.153   8.068  -6.801
  160   3HG2  THR  23          HG23      THR  23  -4.674   8.031  -8.499
  161    H    PHE  24           HN       PHE  24  -8.420  10.411  -6.747
  162    HA   PHE  24           HA       PHE  24  -9.630  12.659  -7.880
  163   1HB   PHE  24          HB2       PHE  24  -9.900  10.901  -9.764
  164   2HB   PHE  24          HB3       PHE  24 -11.114  10.178  -8.713
  165    HD1  PHE  24           HD1      PHE  24 -13.212  11.282  -8.288
  166    HD2  PHE  24           HD2      PHE  24 -10.275  13.053 -10.808
  167    HE1  PHE  24           HE1      PHE  24 -14.899  12.859  -9.139
  168    HE2  PHE  24           HE2      PHE  24 -11.957  14.633 -11.663
  169    HZ   PHE  24           HZ       PHE  24 -14.260  14.554 -10.822
  170    H    HIS  25           HN       HIS  25 -10.438   9.471  -6.525
  171    HA   HIS  25           HA       HIS  25 -12.355  10.742  -4.713
  172   1HB   HIS  25          HB2       HIS  25 -11.844   7.846  -5.404
  173   2HB   HIS  25          HB3       HIS  25 -12.983   8.365  -4.167
  174    HD1  HIS  25           HD1      HIS  25 -15.052   9.813  -5.048
  175    HD2  HIS  25           HD2      HIS  25 -12.817   7.871  -7.963
  176    HE1  HIS  25           HE1      HIS  25 -16.496   9.804  -7.106
  177    HE2  HIS  25           HE2      HIS  25 -15.087   8.703  -8.881
  178    H    GLY  26           HN       GLY  26 -12.335   8.994  -2.598
  179   1HA   GLY  26          HA1       GLY  26 -11.187   8.376  -0.688
  180   2HA   GLY  26          HA2       GLY  26  -9.683   8.609  -1.567
  181    H    TYR  27           HN       TYR  27  -8.528   9.828  -0.165
  182    HA   TYR  27           HA       TYR  27  -9.774  12.134   1.100
  183   1HB   TYR  27          HB2       TYR  27  -8.283  10.667   2.423
  184   2HB   TYR  27          HB3       TYR  27  -6.948  11.089   1.356
  185    HD1  TYR  27           HD1      TYR  27  -9.315  12.445   3.853
  186    HD2  TYR  27           HD2      TYR  27  -5.731  13.102   1.658
  187    HE1  TYR  27           HE1      TYR  27  -8.817  14.394   5.264
  188    HE2  TYR  27           HE2      TYR  27  -5.221  15.055   3.066
  189    HH   TYR  27           HH       TYR  27  -6.477  16.682   4.480
  190    HA   PRO  28           HA       PRO  28  -8.193  14.638  -2.297
  191   1HB   PRO  28          HB2       PRO  28  -9.340  16.965  -1.557
  192   2HB   PRO  28          HB3       PRO  28 -10.264  15.655  -2.304
  193   1HG   PRO  28          HG2       PRO  28 -10.030  16.394   0.589
  194   2HG   PRO  28          HG3       PRO  28 -11.475  15.949  -0.338
  195   1HD   PRO  28          HD2       PRO  28 -10.161  14.202   1.274
  196   2HD   PRO  28          HD3       PRO  28 -11.035  13.697  -0.186
  197    H    GLY  29           HN       GLY  29  -6.237  15.539  -2.414
  198   1HA   GLY  29          HA1       GLY  29  -4.687  17.267  -1.817
  199   2HA   GLY  29          HA2       GLY  29  -5.301  17.199  -0.173
  200    H    ILE  30           HN       ILE  30  -3.776  15.006  -2.540
  201    HA   ILE  30           HA       ILE  30  -1.783  14.310  -0.526
  202    HB   ILE  30           HB       ILE  30  -3.332  12.567  -0.138
  203   1HG1  ILE  30          HG12      ILE  30  -1.420  11.333  -2.120
  204   2HG1  ILE  30          HG13      ILE  30  -0.889  11.936  -0.551
  205   1HG2  ILE  30          HG21      ILE  30  -3.488  12.165  -3.119
  206   2HG2  ILE  30          HG22      ILE  30  -4.306  11.186  -1.902
  207   3HG2  ILE  30          HG23      ILE  30  -4.733  12.886  -2.100
  208   1HD1  ILE  30          HD11      ILE  30  -2.969   9.804  -0.977
  209   2HD1  ILE  30          HD12      ILE  30  -1.280   9.519  -0.557
  210   3HD1  ILE  30          HD13      ILE  30  -2.339  10.363   0.572
  211    H    THR  31           HN       THR  31  -0.088  15.133  -1.617
  212    HA   THR  31           HA       THR  31   0.281  14.497  -4.444
  213    HB   THR  31           HB       THR  31   2.077  16.186  -2.697
  214    HG1  THR  31           HG1      THR  31   0.582  17.672  -2.796
  215   1HG2  THR  31          HG21      THR  31   3.131  15.525  -4.757
  216   2HG2  THR  31          HG22      THR  31   2.664  17.220  -4.890
  217   3HG2  THR  31          HG23      THR  31   1.700  15.975  -5.684
  218    H    GLU  32           HN       GLU  32   2.329  13.644  -5.214
  219    HA   GLU  32           HA       GLU  32   3.125  11.325  -3.878
  220   1HB   GLU  32          HB2       GLU  32   4.955  11.218  -5.542
  221   2HB   GLU  32          HB3       GLU  32   3.387  11.540  -6.271
  222   1HG   GLU  32          HG2       GLU  32   3.957  13.924  -6.396
  223   2HG   GLU  32          HG3       GLU  32   5.545  13.562  -5.722
  224    H    GLU  33           HN       GLU  33   4.726  14.503  -4.076
  225    HA   GLU  33           HA       GLU  33   7.054  13.871  -2.686
  226   1HB   GLU  33          HB2       GLU  33   5.474  16.401  -3.003
  227   2HB   GLU  33          HB3       GLU  33   6.841  16.364  -1.899
  228   1HG   GLU  33          HG2       GLU  33   7.495  17.233  -4.061
  229   2HG   GLU  33          HG3       GLU  33   8.310  15.707  -3.729
  230    H    LEU  34           HN       LEU  34   3.815  14.276  -1.596
  231    HA   LEU  34           HA       LEU  34   4.495  14.539   1.202
  232   1HB   LEU  34          HB2       LEU  34   2.533  15.663   0.280
  233   2HB   LEU  34          HB3       LEU  34   1.850  14.114  -0.176
  234    HG   LEU  34           HG       LEU  34   1.807  13.506   2.255
  235   1HD1  LEU  34          HD11      LEU  34   2.441  16.431   2.607
  236   2HD1  LEU  34          HD12      LEU  34   1.960  15.317   3.886
  237   3HD1  LEU  34          HD13      LEU  34   3.491  15.083   3.042
  238   1HD2  LEU  34          HD21      LEU  34  -0.189  14.808   2.721
  239   2HD2  LEU  34          HD22      LEU  34   0.243  15.945   1.444
  240   3HD2  LEU  34          HD23      LEU  34  -0.167  14.280   1.037
  241    H    LEU  35           HN       LEU  35   3.462  12.033  -1.022
  242    HA   LEU  35           HA       LEU  35   2.580  10.056   0.654
  243   1HB   LEU  35          HB2       LEU  35   2.683   8.733  -1.160
  244   2HB   LEU  35          HB3       LEU  35   3.012  10.238  -1.979
  245    HG   LEU  35           HG       LEU  35   5.530   9.547  -1.454
  246   1HD1  LEU  35          HD11      LEU  35   4.080   6.910  -1.645
  247   2HD1  LEU  35          HD12      LEU  35   5.827   7.135  -1.711
  248   3HD1  LEU  35          HD13      LEU  35   4.944   7.520  -0.234
  249   1HD2  LEU  35          HD21      LEU  35   3.835   8.471  -3.703
  250   2HD2  LEU  35          HD22      LEU  35   4.674  10.020  -3.659
  251   3HD2  LEU  35          HD23      LEU  35   5.599   8.519  -3.700
  252    H    ARG  36           HN       ARG  36   5.882  11.058   0.046
  253    HA   ARG  36           HA       ARG  36   7.109   8.857   1.399
  254   1HB   ARG  36          HB2       ARG  36   8.500   9.880  -0.154
  255   2HB   ARG  36          HB3       ARG  36   8.039  11.499   0.343
  256   1HG   ARG  36          HG2       ARG  36   9.287  11.173   2.447
  257   2HG   ARG  36          HG3       ARG  36   9.810   9.590   1.856
  258   1HD   ARG  36          HD2       ARG  36  11.072  10.542   0.124
  259   2HD   ARG  36          HD3       ARG  36  10.280  12.104   0.283
  260    HE   ARG  36           HE       ARG  36  11.778  11.262   2.606
  261   1HH1  ARG  36          HH12      ARG  36  11.849  12.991  -0.418
  262   2HH1  ARG  36          HH11      ARG  36  13.232  13.940   0.009
  263   1HH2  ARG  36          HH22      ARG  36  13.600  12.509   3.177
  264   2HH2  ARG  36          HH21      ARG  36  14.228  13.665   2.051
  265    H    SER  37           HN       SER  37   6.693  12.283   2.223
  266    HA   SER  37           HA       SER  37   7.715  12.129   4.821
  267   1HB   SER  37          HB2       SER  37   5.704  14.076   3.676
  268   2HB   SER  37          HB3       SER  37   6.598  14.303   5.179
  269    HG   SER  37           HG       SER  37   8.304  13.714   3.196
  270    H    GLN  38           HN       GLN  38   4.659  11.096   3.592
  271    HA   GLN  38           HA       GLN  38   3.207  11.369   6.038
  272   1HB   GLN  38          HB2       GLN  38   2.694   9.899   3.468
  273   2HB   GLN  38          HB3       GLN  38   1.626   9.719   4.853
  274   1HG   GLN  38          HG2       GLN  38   2.282  12.303   3.462
  275   2HG   GLN  38          HG3       GLN  38   0.796  11.376   3.276
  276   1HE2  GLN  38          HE21      GLN  38   0.707  10.662   6.107
  277   2HE2  GLN  38          HE22      GLN  38   0.200  12.084   6.944
  278    H    LEU  39           HN       LEU  39   5.433   8.998   4.839
  279    HA   LEU  39           HA       LEU  39   4.905   7.408   7.238
  280   1HB   LEU  39          HB2       LEU  39   5.118   6.213   4.479
  281   2HB   LEU  39          HB3       LEU  39   5.003   5.309   5.979
  282    HG   LEU  39           HG       LEU  39   2.774   6.765   6.223
  283   1HD1  LEU  39          HD11      LEU  39   1.662   7.059   4.108
  284   2HD1  LEU  39          HD12      LEU  39   3.186   7.944   4.086
  285   3HD1  LEU  39          HD13      LEU  39   3.051   6.402   3.244
  286   1HD2  LEU  39          HD21      LEU  39   2.903   4.316   4.483
  287   2HD2  LEU  39          HD22      LEU  39   3.045   4.289   6.241
  288   3HD2  LEU  39          HD23      LEU  39   1.556   4.854   5.483
  289    H    TYR  40           HN       TYR  40   7.013   7.201   4.341
  290    HA   TYR  40           HA       TYR  40   9.264   6.722   6.172
  291   1HB   TYR  40          HB2       TYR  40  10.334   6.071   3.805
  292   2HB   TYR  40          HB3       TYR  40   9.420   4.935   4.780
  293    HD1  TYR  40           HD1      TYR  40   7.818   3.664   3.678
  294    HD2  TYR  40           HD2      TYR  40   8.765   7.540   2.183
  295    HE1  TYR  40           HE1      TYR  40   6.278   3.324   1.804
  296    HE2  TYR  40           HE2      TYR  40   7.219   7.201   0.311
  297    HH   TYR  40           HH       TYR  40   4.919   4.818   0.245
  298    HA   PRO  41           HA       PRO  41  10.235  10.936   4.633
  299   1HB   PRO  41          HB2       PRO  41  11.323  11.869   6.906
  300   2HB   PRO  41          HB3       PRO  41   9.572  11.788   6.676
  301   1HG   PRO  41          HG2       PRO  41  11.374   9.910   8.158
  302   2HG   PRO  41          HG3       PRO  41   9.790  10.550   8.635
  303   1HD   PRO  41          HD2       PRO  41  10.141   8.069   7.557
  304   2HD   PRO  41          HD3       PRO  41   8.649   9.011   7.371
  305    H    GLU  42           HN       GLU  42  11.908   8.241   4.979
  306    HA   GLU  42           HA       GLU  42  14.560   9.495   4.985
  307   1HB   GLU  42          HB2       GLU  42  15.417   7.174   5.263
  308   2HB   GLU  42          HB3       GLU  42  14.376   7.707   6.575
  309   1HG   GLU  42          HG2       GLU  42  12.505   6.474   5.543
  310   2HG   GLU  42          HG3       GLU  42  13.617   5.876   4.313
  311    H    VAL  43           HN       VAL  43  12.607   7.155   3.130
  312    HA   VAL  43           HA       VAL  43  14.518   7.217   0.948
  313    HB   VAL  43           HB       VAL  43  13.380   5.096   1.515
  314   1HG1  VAL  43          HG11      VAL  43  10.884   6.304   0.365
  315   2HG1  VAL  43          HG12      VAL  43  11.075   4.734   1.151
  316   3HG1  VAL  43          HG13      VAL  43  11.194   6.218   2.100
  317   1HG2  VAL  43          HG21      VAL  43  12.672   6.136  -1.226
  318   2HG2  VAL  43          HG22      VAL  43  14.240   5.482  -0.755
  319   3HG2  VAL  43          HG23      VAL  43  12.817   4.440  -0.763
  320    HA   PRO  44           HA       PRO  44  12.702  10.818  -0.996
  321   1HB   PRO  44          HB2       PRO  44  13.762   9.426  -3.418
  322   2HB   PRO  44          HB3       PRO  44  13.939  11.116  -2.924
  323   1HG   PRO  44          HG2       PRO  44  15.953   9.421  -2.615
  324   2HG   PRO  44          HG3       PRO  44  15.591  10.621  -1.362
  325   1HD   PRO  44          HD2       PRO  44  15.033   7.686  -1.395
  326   2HD   PRO  44          HD3       PRO  44  15.489   8.735  -0.037
  327    HA   PRO  45           HA       PRO  45   8.821   9.368  -2.514
  328   1HB   PRO  45          HB2       PRO  45   8.774  11.676  -4.357
  329   2HB   PRO  45          HB3       PRO  45   7.674  11.271  -3.038
  330   1HG   PRO  45          HG2       PRO  45   9.388  13.291  -2.790
  331   2HG   PRO  45          HG3       PRO  45   9.057  12.210  -1.418
  332   1HD   PRO  45          HD2       PRO  45  11.382  12.187  -3.323
  333   2HD   PRO  45          HD3       PRO  45  11.388  12.065  -1.550
  334    H    GLU  46           HN       GLU  46  11.530   9.735  -4.520
  335    HA   GLU  46           HA       GLU  46  10.161   8.468  -6.795
  336   1HB   GLU  46          HB2       GLU  46  12.796   9.946  -6.705
  337   2HB   GLU  46          HB3       GLU  46  12.109   9.195  -8.138
  338   1HG   GLU  46          HG2       GLU  46  10.893  11.467  -6.582
  339   2HG   GLU  46          HG3       GLU  46  11.742  11.598  -8.121
  340    H    GLU  47           HN       GLU  47  12.679   8.090  -4.426
  341    HA   GLU  47           HA       GLU  47  13.961   5.873  -5.700
  342   1HB   GLU  47          HB2       GLU  47  14.093   6.990  -2.906
  343   2HB   GLU  47          HB3       GLU  47  14.971   5.542  -3.380
  344   1HG   GLU  47          HG2       GLU  47  15.831   7.099  -5.321
  345   2HG   GLU  47          HG3       GLU  47  15.419   8.369  -4.169
  346    H    PHE  48           HN       PHE  48  11.025   6.181  -4.106
  347    HA   PHE  48           HA       PHE  48  11.007   3.586  -2.868
  348   1HB   PHE  48          HB2       PHE  48   9.635   5.550  -2.070
  349   2HB   PHE  48          HB3       PHE  48   8.608   5.306  -3.482
  350    HD1  PHE  48           HD1      PHE  48  10.148   3.099  -0.891
  351    HD2  PHE  48           HD2      PHE  48   6.641   4.257  -2.999
  352    HE1  PHE  48           HE1      PHE  48   8.847   1.426   0.356
  353    HE2  PHE  48           HE2      PHE  48   5.337   2.587  -1.754
  354    HZ   PHE  48           HZ       PHE  48   6.473   1.105  -0.124
  355    H    ARG  49           HN       ARG  49  10.323   4.858  -5.984
  356    HA   ARG  49           HA       ARG  49   8.443   3.176  -7.026
  357   1HB   ARG  49          HB2       ARG  49   9.696   5.084  -8.172
  358   2HB   ARG  49          HB3       ARG  49  10.926   3.892  -8.567
  359   1HG   ARG  49          HG2       ARG  49   9.421   4.184 -10.429
  360   2HG   ARG  49          HG3       ARG  49   9.239   2.563  -9.752
  361   1HD   ARG  49          HD2       ARG  49   7.209   3.127  -8.689
  362   2HD   ARG  49          HD3       ARG  49   7.458   4.851  -8.958
  363    HE   ARG  49           HE       ARG  49   7.343   3.940 -11.463
  364   1HH1  ARG  49          HH12      ARG  49   5.309   3.287  -8.706
  365   2HH1  ARG  49          HH11      ARG  49   3.884   3.031  -9.659
  366   1HH2  ARG  49          HH22      ARG  49   5.472   3.606 -12.720
  367   2HH2  ARG  49          HH21      ARG  49   3.978   3.213 -11.938
  368    HA   PRO  50           HA       PRO  50  11.851  -0.161  -8.065
  369   1HB   PRO  50          HB2       PRO  50  13.945  -0.174  -6.269
  370   2HB   PRO  50          HB3       PRO  50  14.021   0.528  -7.888
  371   1HG   PRO  50          HG2       PRO  50  13.567   1.870  -5.258
  372   2HG   PRO  50          HG3       PRO  50  14.537   2.410  -6.641
  373   1HD   PRO  50          HD2       PRO  50  12.105   3.430  -6.146
  374   2HD   PRO  50          HD3       PRO  50  12.681   3.171  -7.805
  375    H    PHE  51           HN       PHE  51  11.487   0.947  -4.711
  376    HA   PHE  51           HA       PHE  51  11.311  -1.682  -3.626
  377   1HB   PHE  51          HB2       PHE  51  11.754   0.723  -2.515
  378   2HB   PHE  51          HB3       PHE  51  10.028   0.584  -2.196
  379    HD1  PHE  51           HD1      PHE  51   9.165  -1.163  -0.745
  380    HD2  PHE  51           HD2      PHE  51  13.342  -0.703  -1.413
  381    HE1  PHE  51           HE1      PHE  51   9.628  -2.580   1.210
  382    HE2  PHE  51           HE2      PHE  51  13.813  -2.122   0.540
  383    HZ   PHE  51           HZ       PHE  51  11.975  -3.082   1.838
  384    H    LEU  52           HN       LEU  52   9.155   0.355  -5.300
  385    HA   LEU  52           HA       LEU  52   6.736  -0.717  -4.226
  386   1HB   LEU  52          HB2       LEU  52   7.447   1.175  -6.394
  387   2HB   LEU  52          HB3       LEU  52   5.898   0.369  -6.519
  388    HG   LEU  52           HG       LEU  52   6.827   2.106  -4.236
  389   1HD1  LEU  52          HD11      LEU  52   4.479   2.634  -6.015
  390   2HD1  LEU  52          HD12      LEU  52   5.406   3.754  -5.017
  391   3HD1  LEU  52          HD13      LEU  52   6.106   3.118  -6.506
  392   1HD2  LEU  52          HD21      LEU  52   4.520   1.819  -3.404
  393   2HD2  LEU  52          HD22      LEU  52   4.251   0.609  -4.657
  394   3HD2  LEU  52          HD23      LEU  52   5.447   0.322  -3.396
  395    H    ALA  53           HN       ALA  53   8.931  -1.652  -6.759
  396    HA   ALA  53           HA       ALA  53   7.361  -3.021  -8.529
  397   1HB   ALA  53          HB1       ALA  53   9.787  -2.893  -8.725
  398   2HB   ALA  53          HB2       ALA  53   9.967  -4.007  -7.369
  399   3HB   ALA  53          HB3       ALA  53   9.227  -4.558  -8.872
  400    H    LYS  54           HN       LYS  54   7.930  -3.757  -5.204
  401    HA   LYS  54           HA       LYS  54   6.519  -6.319  -5.428
  402   1HB   LYS  54          HB2       LYS  54   8.049  -5.130  -3.102
  403   2HB   LYS  54          HB3       LYS  54   7.306  -6.725  -3.127
  404   1HG   LYS  54          HG2       LYS  54   8.813  -7.435  -4.884
  405   2HG   LYS  54          HG3       LYS  54   9.519  -5.820  -4.958
  406   1HD   LYS  54          HD2       LYS  54   9.540  -7.542  -2.486
  407   2HD   LYS  54          HD3       LYS  54  10.854  -7.506  -3.663
  408   1HE   LYS  54          HE2       LYS  54   9.830  -5.180  -2.037
  409   2HE   LYS  54          HE3       LYS  54  11.354  -6.035  -1.800
  410   1HZ   LYS  54          HZ1       LYS  54  10.612  -4.484  -4.224
  411   2HZ   LYS  54          HZ2       LYS  54  12.083  -5.278  -3.969
  412   3HZ   LYS  54          HZ3       LYS  54  11.658  -3.954  -3.004
  413    H    MET  55           HN       MET  55   6.318  -3.098  -4.196
  414    HA   MET  55           HA       MET  55   3.755  -3.636  -2.852
  415   1HB   MET  55          HB2       MET  55   5.815  -1.444  -2.632
  416   2HB   MET  55          HB3       MET  55   4.173  -1.211  -2.035
  417   1HG   MET  55          HG2       MET  55   5.894  -3.509  -1.150
  418   2HG   MET  55          HG3       MET  55   5.905  -1.940  -0.347
  419   1HE   MET  55          HE1       MET  55   3.778  -0.898   0.891
  420   2HE   MET  55          HE2       MET  55   2.880  -1.050  -0.619
  421   3HE   MET  55          HE3       MET  55   2.189  -1.663   0.884
  422    H    ARG  56           HN       ARG  56   4.102  -3.473  -5.756
  423    HA   ARG  56           HA       ARG  56   2.773  -0.952  -6.419
  424   1HB   ARG  56          HB2       ARG  56   4.829  -1.333  -7.611
  425   2HB   ARG  56          HB3       ARG  56   4.287  -2.923  -8.118
  426   1HG   ARG  56          HG2       ARG  56   2.713  -2.015  -9.608
  427   2HG   ARG  56          HG3       ARG  56   2.890  -0.395  -8.925
  428   1HD   ARG  56          HD2       ARG  56   5.125  -0.217  -9.760
  429   2HD   ARG  56          HD3       ARG  56   5.128  -1.905 -10.271
  430    HE   ARG  56           HE       ARG  56   3.050  -0.388 -11.524
  431   1HH1  ARG  56          HH12      ARG  56   6.451  -1.144 -11.655
  432   2HH1  ARG  56          HH11      ARG  56   6.590  -0.811 -13.349
  433   1HH2  ARG  56          HH22      ARG  56   3.228   0.054 -13.754
  434   2HH2  ARG  56          HH21      ARG  56   4.759  -0.131 -14.540
  435    H    GLY  57           HN       GLY  57   2.387  -4.421  -6.536
  436   1HA   GLY  57          HA1       GLY  57   0.212  -4.496  -8.342
  437   2HA   GLY  57          HA2       GLY  57   0.616  -5.739  -7.167
  438    H    ILE  58           HN       ILE  58   0.296  -2.952  -5.440
  439    HA   ILE  58           HA       ILE  58  -2.529  -3.544  -4.882
  440    HB   ILE  58           HB       ILE  58  -0.750  -2.242  -2.883
  441   1HG1  ILE  58          HG12      ILE  58  -0.685  -4.898  -2.216
  442   2HG1  ILE  58          HG13      ILE  58  -0.493  -4.956  -3.958
  443   1HG2  ILE  58          HG21      ILE  58  -2.240  -3.355  -1.315
  444   2HG2  ILE  58          HG22      ILE  58  -3.164  -2.409  -2.479
  445   3HG2  ILE  58          HG23      ILE  58  -3.066  -4.161  -2.649
  446   1HD1  ILE  58          HD11      ILE  58   1.659  -4.902  -2.847
  447   2HD1  ILE  58          HD12      ILE  58   1.410  -3.438  -3.798
  448   3HD1  ILE  58          HD13      ILE  58   1.224  -3.392  -2.046
  449    H    LEU  59           HN       LEU  59  -0.182  -0.932  -5.330
  450    HA   LEU  59           HA       LEU  59  -1.811   1.189  -4.503
  451   1HB   LEU  59          HB2       LEU  59  -0.286   2.532  -6.068
  452   2HB   LEU  59          HB3       LEU  59   0.425   1.736  -4.689
  453    HG   LEU  59           HG       LEU  59   0.927  -0.159  -6.435
  454   1HD1  LEU  59          HD11      LEU  59   1.370   1.943  -8.401
  455   2HD1  LEU  59          HD12      LEU  59   0.728   0.315  -8.612
  456   3HD1  LEU  59          HD13      LEU  59  -0.339   1.626  -8.108
  457   1HD2  LEU  59          HD21      LEU  59   2.592   1.115  -5.202
  458   2HD2  LEU  59          HD22      LEU  59   3.081   0.910  -6.884
  459   3HD2  LEU  59          HD23      LEU  59   2.426   2.454  -6.338
  460    H    LYS  60           HN       LYS  60  -1.361  -0.205  -7.738
  461    HA   LYS  60           HA       LYS  60  -3.278   1.635  -8.870
  462   1HB   LYS  60          HB2       LYS  60  -2.616   0.887 -10.943
  463   2HB   LYS  60          HB3       LYS  60  -1.167   0.576 -10.001
  464   1HG   LYS  60          HG2       LYS  60  -3.267  -1.465 -10.699
  465   2HG   LYS  60          HG3       LYS  60  -1.711  -1.267 -11.506
  466   1HD   LYS  60          HD2       LYS  60  -0.564  -1.783  -9.403
  467   2HD   LYS  60          HD3       LYS  60  -2.124  -1.990  -8.605
  468   1HE   LYS  60          HE2       LYS  60  -1.261  -4.156  -9.193
  469   2HE   LYS  60          HE3       LYS  60  -2.652  -3.799 -10.213
  470   1HZ   LYS  60          HZ1       LYS  60   0.188  -3.487 -11.020
  471   2HZ   LYS  60          HZ2       LYS  60  -1.158  -3.188 -11.998
  472   3HZ   LYS  60          HZ3       LYS  60  -0.827  -4.761 -11.477
  473    H    SER  61           HN       SER  61  -3.362  -1.413  -7.364
  474    HA   SER  61           HA       SER  61  -5.727  -2.387  -8.677
  475   1HB   SER  61          HB2       SER  61  -4.272  -3.268  -6.176
  476   2HB   SER  61          HB3       SER  61  -5.693  -4.092  -6.822
  477    HG   SER  61           HG       SER  61  -4.551  -4.648  -8.624
  478    H    ILE  62           HN       ILE  62  -4.977  -0.708  -5.674
  479    HA   ILE  62           HA       ILE  62  -7.722  -0.790  -4.775
  480    HB   ILE  62           HB       ILE  62  -5.312   0.640  -3.643
  481   1HG1  ILE  62          HG12      ILE  62  -6.759  -1.876  -2.772
  482   2HG1  ILE  62          HG13      ILE  62  -5.183  -1.818  -3.553
  483   1HG2  ILE  62          HG21      ILE  62  -7.368   1.802  -3.037
  484   2HG2  ILE  62          HG22      ILE  62  -8.075   0.287  -2.475
  485   3HG2  ILE  62          HG23      ILE  62  -6.685   0.977  -1.635
  486   1HD1  ILE  62          HD11      ILE  62  -5.863  -0.710  -0.840
  487   2HD1  ILE  62          HD12      ILE  62  -4.947  -2.179  -1.178
  488   3HD1  ILE  62          HD13      ILE  62  -4.287  -0.606  -1.623
  489    H    ALA  63           HN       ALA  63  -5.510   1.603  -6.160
  490    HA   ALA  63           HA       ALA  63  -7.453   3.726  -5.901
  491   1HB   ALA  63          HB1       ALA  63  -4.784   3.724  -7.293
  492   2HB   ALA  63          HB2       ALA  63  -5.767   5.141  -6.922
  493   3HB   ALA  63          HB3       ALA  63  -5.072   4.184  -5.614
  494    H    SER  64           HN       SER  64  -5.728   2.398  -8.737
  495    HA   SER  64           HA       SER  64  -7.509   3.635 -10.573
  496   1HB   SER  64          HB2       SER  64  -5.511   1.411 -11.025
  497   2HB   SER  64          HB3       SER  64  -6.310   2.342 -12.291
  498    HG   SER  64           HG       SER  64  -4.171   3.093 -11.689
  499    H    ALA  65           HN       ALA  65  -7.141   0.249  -9.525
  500    HA   ALA  65           HA       ALA  65  -9.402  -0.574 -11.120
  501   1HB   ALA  65          HB1       ALA  65  -8.982  -2.798 -10.139
  502   2HB   ALA  65          HB2       ALA  65  -7.547  -2.092 -10.880
  503   3HB   ALA  65          HB3       ALA  65  -7.726  -2.087  -9.127
  504    H    ASP  66           HN       ASP  66  -8.735   0.001  -7.696
  505    HA   ASP  66           HA       ASP  66 -10.086   0.095  -5.864
  506   1HB   ASP  66          HB2       ASP  66 -11.047   1.977  -7.110
  507   2HB   ASP  66          HB3       ASP  66 -12.146   0.878  -7.939
  508    H    MET  67           HN       MET  67 -10.025  -2.089  -5.339
  509    HA   MET  67           HA       MET  67 -12.054  -3.866  -6.431
  510   1HB   MET  67          HB2       MET  67  -9.826  -4.358  -4.452
  511   2HB   MET  67          HB3       MET  67 -10.904  -5.597  -5.078
  512   1HG   MET  67          HG2       MET  67  -9.095  -3.907  -6.784
  513   2HG   MET  67          HG3       MET  67  -8.685  -5.512  -6.184
  514   1HE   MET  67          HE1       MET  67  -8.606  -4.756  -9.301
  515   2HE   MET  67          HE2       MET  67  -8.182  -6.327  -8.621
  516   3HE   MET  67          HE3       MET  67  -9.321  -6.225  -9.963
  517    H    ASP  68           HN       ASP  68 -12.815  -5.499  -4.523
  518    HA   ASP  68           HA       ASP  68 -14.297  -3.774  -2.674
  519   1HB   ASP  68          HB2       ASP  68 -14.836  -6.626  -3.526
  520   2HB   ASP  68          HB3       ASP  68 -15.849  -5.675  -2.444
  521    H    PHE  69           HN       PHE  69 -13.536  -7.217  -2.345
  522    HA   PHE  69           HA       PHE  69 -11.670  -6.798  -0.213
  523   1HB   PHE  69          HB2       PHE  69 -13.219  -8.157   1.397
  524   2HB   PHE  69          HB3       PHE  69 -13.419  -6.415   1.250
  525    HD1  PHE  69           HD1      PHE  69 -14.824  -9.690   0.354
  526    HD2  PHE  69           HD2      PHE  69 -15.399  -5.474   0.307
  527    HE1  PHE  69           HE1      PHE  69 -17.190 -10.023  -0.234
  528    HE2  PHE  69           HE2      PHE  69 -17.765  -5.798  -0.281
  529    HZ   PHE  69           HZ       PHE  69 -18.664  -8.075  -0.551
  530    H    ASN  70           HN       ASN  70 -13.840  -9.047  -1.868
  531    HA   ASN  70           HA       ASN  70 -12.158 -11.313  -1.193
  532   1HB   ASN  70          HB2       ASN  70 -14.697 -11.044  -2.802
  533   2HB   ASN  70          HB3       ASN  70 -13.821 -12.561  -2.650
  534   1HD2  ASN  70          HD21      ASN  70 -13.012 -11.992   0.100
  535   2HD2  ASN  70          HD22      ASN  70 -14.420 -12.237   1.070
  536    H    GLN  71           HN       GLN  71 -11.473  -8.950  -3.096
  537    HA   GLN  71           HA       GLN  71 -10.679 -10.572  -5.421
  538   1HB   GLN  71          HB2       GLN  71 -10.963  -7.578  -5.127
  539   2HB   GLN  71          HB3       GLN  71 -10.348  -8.379  -6.566
  540   1HG   GLN  71          HG2       GLN  71 -13.082  -8.868  -5.414
  541   2HG   GLN  71          HG3       GLN  71 -12.739  -7.695  -6.685
  542   1HE2  GLN  71          HE21      GLN  71 -12.899 -11.073  -5.864
  543   2HE2  GLN  71          HE22      GLN  71 -12.893 -11.674  -7.484
  544    H    LEU  72           HN       LEU  72  -9.489  -8.276  -3.010
  545    HA   LEU  72           HA       LEU  72  -6.779  -8.436  -4.005
  546   1HB   LEU  72          HB2       LEU  72  -7.873  -7.162  -1.495
  547   2HB   LEU  72          HB3       LEU  72  -6.228  -7.013  -2.072
  548    HG   LEU  72           HG       LEU  72  -8.672  -5.993  -3.511
  549   1HD1  LEU  72          HD11      LEU  72  -6.515  -4.473  -2.058
  550   2HD1  LEU  72          HD12      LEU  72  -7.950  -3.805  -2.837
  551   3HD1  LEU  72          HD13      LEU  72  -8.115  -4.816  -1.401
  552   1HD2  LEU  72          HD21      LEU  72  -5.731  -5.682  -4.106
  553   2HD2  LEU  72          HD22      LEU  72  -6.897  -6.603  -5.057
  554   3HD2  LEU  72          HD23      LEU  72  -7.038  -4.848  -4.948
  555    H    GLU  73           HN       GLU  73  -8.695  -9.886  -1.464
  556    HA   GLU  73           HA       GLU  73  -6.806 -10.824   0.287
  557   1HB   GLU  73          HB2       GLU  73  -9.267 -11.115   0.508
  558   2HB   GLU  73          HB3       GLU  73  -9.197 -12.387  -0.702
  559   1HG   GLU  73          HG2       GLU  73  -7.572 -12.538   1.807
  560   2HG   GLU  73          HG3       GLU  73  -9.258 -13.051   1.770
  561    H    ALA  74           HN       ALA  74  -7.986 -12.593  -2.577
  562    HA   ALA  74           HA       ALA  74  -6.034 -14.648  -2.354
  563   1HB   ALA  74          HB1       ALA  74  -8.185 -15.012  -3.451
  564   2HB   ALA  74          HB2       ALA  74  -7.735 -13.873  -4.719
  565   3HB   ALA  74          HB3       ALA  74  -6.843 -15.383  -4.534
  566    H    PHE  75           HN       PHE  75  -5.932 -11.476  -3.607
  567    HA   PHE  75           HA       PHE  75  -3.920 -11.925  -5.592
  568   1HB   PHE  75          HB2       PHE  75  -5.416 -10.038  -5.821
  569   2HB   PHE  75          HB3       PHE  75  -4.879  -9.382  -4.278
  570    HD1  PHE  75           HD1      PHE  75  -2.719  -8.303  -4.066
  571    HD2  PHE  75           HD2      PHE  75  -4.049  -9.866  -7.798
  572    HE1  PHE  75           HE1      PHE  75  -0.948  -7.042  -5.224
  573    HE2  PHE  75           HE2      PHE  75  -2.282  -8.610  -8.959
  574    HZ   PHE  75           HZ       PHE  75  -0.728  -7.198  -7.673
  575    H    LEU  76           HN       LEU  76  -3.905 -10.787  -2.241
  576    HA   LEU  76           HA       LEU  76  -1.262  -9.966  -2.059
  577   1HB   LEU  76          HB2       LEU  76  -3.300 -10.022  -0.347
  578   2HB   LEU  76          HB3       LEU  76  -2.440 -11.432   0.243
  579    HG   LEU  76           HG       LEU  76  -1.858  -9.426   1.514
  580   1HD1  LEU  76          HD11      LEU  76  -0.188 -11.217   1.195
  581   2HD1  LEU  76          HD12      LEU  76   0.455 -10.329  -0.187
  582   3HD1  LEU  76          HD13      LEU  76   0.534  -9.625   1.428
  583   1HD2  LEU  76          HD21      LEU  76  -0.340  -7.767   0.219
  584   2HD2  LEU  76          HD22      LEU  76  -1.197  -8.366  -1.197
  585   3HD2  LEU  76          HD23      LEU  76  -2.092  -7.605   0.118
  586    H    THR  77           HN       THR  77  -2.615 -13.217  -1.904
  587    HA   THR  77           HA       THR  77  -0.374 -14.593  -0.964
  588    HB   THR  77           HB       THR  77  -2.430 -15.561  -2.966
  589    HG1  THR  77           HG1      THR  77  -2.544 -15.053  -0.295
  590   1HG2  THR  77          HG21      THR  77  -1.804 -17.816  -1.982
  591   2HG2  THR  77          HG22      THR  77  -0.383 -17.020  -1.304
  592   3HG2  THR  77          HG23      THR  77  -0.611 -17.080  -3.053
  593    H    ALA  78           HN       ALA  78  -1.084 -13.236  -4.082
  594    HA   ALA  78           HA       ALA  78   0.913 -14.636  -5.553
  595   1HB   ALA  78          HB1       ALA  78  -0.397 -11.994  -6.188
  596   2HB   ALA  78          HB2       ALA  78   0.475 -13.030  -7.316
  597   3HB   ALA  78          HB3       ALA  78  -1.046 -13.578  -6.612
  598    H    GLN  79           HN       GLN  79   0.852 -11.732  -3.627
  599    HA   GLN  79           HA       GLN  79   3.339 -10.678  -4.546
  600   1HB   GLN  79          HB2       GLN  79   1.878 -10.132  -1.961
  601   2HB   GLN  79          HB3       GLN  79   3.172  -9.158  -2.643
  602   1HG   GLN  79          HG2       GLN  79   1.765  -8.589  -4.541
  603   2HG   GLN  79          HG3       GLN  79   0.474  -9.604  -3.901
  604   1HE2  GLN  79          HE21      GLN  79   2.511  -7.693  -1.833
  605   2HE2  GLN  79          HE22      GLN  79   1.315  -6.532  -1.385
  606    H    THR  80           HN       THR  80   2.575 -13.326  -2.668
  607    HA   THR  80           HA       THR  80   5.169 -13.238  -1.271
  608    HB   THR  80           HB       THR  80   4.241 -14.823   0.346
  609    HG1  THR  80           HG1      THR  80   2.702 -15.819  -1.071
  610   1HG2  THR  80          HG21      THR  80   3.997 -12.482   0.879
  611   2HG2  THR  80          HG22      THR  80   2.533 -13.332   1.377
  612   3HG2  THR  80          HG23      THR  80   2.536 -12.370  -0.102
  613    H    LYS  81           HN       LYS  81   3.328 -14.816  -3.669
  614    HA   LYS  81           HA       LYS  81   5.077 -17.175  -3.595
  615   1HB   LYS  81          HB2       LYS  81   3.439 -18.350  -4.840
  616   2HB   LYS  81          HB3       LYS  81   2.562 -17.465  -3.600
  617   1HG   LYS  81          HG2       LYS  81   2.311 -15.667  -5.474
  618   2HG   LYS  81          HG3       LYS  81   2.649 -17.027  -6.545
  619   1HD   LYS  81          HD2       LYS  81   0.441 -16.895  -4.490
  620   2HD   LYS  81          HD3       LYS  81   0.243 -16.719  -6.234
  621   1HE   LYS  81          HE2       LYS  81   1.107 -19.007  -6.536
  622   2HE   LYS  81          HE3       LYS  81   1.234 -19.171  -4.785
  623   1HZ   LYS  81          HZ1       LYS  81  -1.273 -18.719  -6.311
  624   2HZ   LYS  81          HZ2       LYS  81  -1.161 -18.843  -4.628
  625   3HZ   LYS  81          HZ3       LYS  81  -0.793 -20.177  -5.599
  626    H    LYS  82           HN       LYS  82   5.201 -14.253  -4.889
  627    HA   LYS  82           HA       LYS  82   5.778 -14.942  -7.642
  628   1HB   LYS  82          HB2       LYS  82   6.318 -12.564  -7.906
  629   2HB   LYS  82          HB3       LYS  82   4.749 -12.775  -7.142
  630   1HG   LYS  82          HG2       LYS  82   5.557 -12.091  -5.056
  631   2HG   LYS  82          HG3       LYS  82   7.237 -12.318  -5.543
  632   1HD   LYS  82          HD2       LYS  82   6.805  -9.970  -5.510
  633   2HD   LYS  82          HD3       LYS  82   6.926 -10.468  -7.197
  634   1HE   LYS  82          HE2       LYS  82   4.442 -10.590  -7.271
  635   2HE   LYS  82          HE3       LYS  82   4.406  -9.931  -5.634
  636   1HZ   LYS  82          HZ1       LYS  82   5.550  -7.956  -6.459
  637   2HZ   LYS  82          HZ2       LYS  82   4.080  -8.194  -7.262
  638   3HZ   LYS  82          HZ3       LYS  82   5.535  -8.586  -8.029
  639    H    GLN  83           HN       GLN  83   7.919 -13.710  -8.451
  640    HA   GLN  83           HA       GLN  83  10.085 -15.247  -7.490
  641   1HB   GLN  83          HB2       GLN  83  10.259 -12.718  -9.135
  642   2HB   GLN  83          HB3       GLN  83  11.447 -14.010  -9.048
  643   1HG   GLN  83          HG2       GLN  83   9.839 -15.539 -10.093
  644   2HG   GLN  83          HG3       GLN  83   8.685 -14.212 -10.221
  645   1HE2  GLN  83          HE21      GLN  83  11.647 -15.568 -11.420
  646   2HE2  GLN  83          HE22      GLN  83  11.774 -14.571 -12.826
  647    H    GLY  84           HN       GLY  84  10.412 -14.916  -5.313
  648   1HA   GLY  84          HA1       GLY  84  11.634 -13.914  -3.598
  649   2HA   GLY  84          HA2       GLY  84  11.848 -12.494  -4.616
  650    H    GLY  85           HN       GLY  85   9.815 -11.198  -4.999
  651   1HA   GLY  85          HA1       GLY  85   8.141  -9.898  -4.151
  652   2HA   GLY  85          HA2       GLY  85   7.544 -11.369  -3.405
  653    H    ILE  86           HN       ILE  86   6.869 -10.384  -1.546
  654    HA   ILE  86           HA       ILE  86   8.893  -9.032   0.093
  655    HB   ILE  86           HB       ILE  86   6.992  -8.231   1.432
  656   1HG1  ILE  86          HG12      ILE  86   5.292  -9.621  -0.656
  657   2HG1  ILE  86          HG13      ILE  86   5.506 -10.182   0.998
  658   1HG2  ILE  86          HG21      ILE  86   5.991  -6.784  -0.355
  659   2HG2  ILE  86          HG22      ILE  86   7.755  -6.826  -0.347
  660   3HG2  ILE  86          HG23      ILE  86   6.857  -7.762  -1.544
  661   1HD1  ILE  86          HD11      ILE  86   4.252  -7.573   0.180
  662   2HD1  ILE  86          HD12      ILE  86   3.390  -9.022   0.698
  663   3HD1  ILE  86          HD13      ILE  86   4.438  -8.166   1.830
  664    H    THR  87           HN       THR  87   8.331  -9.357   2.565
  665    HA   THR  87           HA       THR  87   8.546 -12.233   3.044
  666    HB   THR  87           HB       THR  87  10.305 -10.770   3.977
  667    HG1  THR  87           HG1      THR  87   8.746 -11.862   6.090
  668   1HG2  THR  87          HG21      THR  87   9.832  -9.268   5.819
  669   2HG2  THR  87          HG22      THR  87   8.117  -9.670   5.744
  670   3HG2  THR  87          HG23      THR  87   8.876  -8.797   4.414
  671    H    SER  88           HN       SER  88   7.648 -12.805   5.386
  672    HA   SER  88           HA       SER  88   4.836 -12.708   5.185
  673   1HB   SER  88          HB2       SER  88   5.974 -14.572   6.274
  674   2HB   SER  88          HB3       SER  88   6.582 -13.493   7.530
  675    HG   SER  88           HG       SER  88   4.691 -14.660   8.162
  676    H    ASP  89           HN       ASP  89   7.144 -10.895   7.144
  677    HA   ASP  89           HA       ASP  89   5.312  -9.613   8.840
  678   1HB   ASP  89          HB2       ASP  89   7.720  -9.622   9.274
  679   2HB   ASP  89          HB3       ASP  89   7.997  -8.642   7.838
  680    H    GLN  90           HN       GLN  90   6.194  -9.030   5.537
  681    HA   GLN  90           HA       GLN  90   5.010  -6.387   5.463
  682   1HB   GLN  90          HB2       GLN  90   6.242  -8.168   3.366
  683   2HB   GLN  90          HB3       GLN  90   5.477  -6.636   2.965
  684   1HG   GLN  90          HG2       GLN  90   7.064  -5.449   4.356
  685   2HG   GLN  90          HG3       GLN  90   7.796  -6.972   4.857
  686   1HE2  GLN  90          HE21      GLN  90   7.426  -4.676   2.281
  687   2HE2  GLN  90          HE22      GLN  90   8.695  -5.285   1.280
  688    H    ALA  91           HN       ALA  91   4.369  -9.515   3.902
  689    HA   ALA  91           HA       ALA  91   1.974  -8.846   2.655
  690   1HB   ALA  91          HB1       ALA  91   3.214 -10.867   2.134
  691   2HB   ALA  91          HB2       ALA  91   2.844 -11.523   3.730
  692   3HB   ALA  91          HB3       ALA  91   1.548 -11.257   2.564
  693    H    ALA  92           HN       ALA  92   2.626  -9.535   5.982
  694    HA   ALA  92           HA       ALA  92  -0.026 -10.259   6.728
  695   1HB   ALA  92          HB1       ALA  92   2.198  -9.191   8.458
  696   2HB   ALA  92          HB2       ALA  92   0.742 -10.019   9.012
  697   3HB   ALA  92          HB3       ALA  92   1.940 -10.887   8.051
  698    H    VAL  93           HN       VAL  93   1.692  -7.204   6.469
  699    HA   VAL  93           HA       VAL  93  -0.438  -5.772   7.815
  700    HB   VAL  93           HB       VAL  93   2.194  -5.230   7.665
  701   1HG1  VAL  93          HG11      VAL  93   0.971  -3.389   5.619
  702   2HG1  VAL  93          HG12      VAL  93   2.618  -3.323   6.243
  703   3HG1  VAL  93          HG13      VAL  93   2.100  -4.693   5.262
  704   1HG2  VAL  93          HG21      VAL  93   1.603  -2.967   8.473
  705   2HG2  VAL  93          HG22      VAL  93  -0.069  -3.291   8.013
  706   3HG2  VAL  93          HG23      VAL  93   0.708  -4.268   9.258
  707    H    ILE  94           HN       ILE  94   0.642  -6.378   4.536
  708    HA   ILE  94           HA       ILE  94  -1.060  -4.403   3.335
  709    HB   ILE  94           HB       ILE  94   0.093  -6.816   1.946
  710   1HG1  ILE  94          HG12      ILE  94   1.450  -4.135   2.276
  711   2HG1  ILE  94          HG13      ILE  94   1.814  -5.530   3.288
  712   1HG2  ILE  94          HG21      ILE  94   0.079  -5.306  -0.004
  713   2HG2  ILE  94          HG22      ILE  94  -1.534  -5.548   0.666
  714   3HG2  ILE  94          HG23      ILE  94  -0.659  -4.051   0.992
  715   1HD1  ILE  94          HD11      ILE  94   2.208  -5.278   0.321
  716   2HD1  ILE  94          HD12      ILE  94   3.451  -5.393   1.567
  717   3HD1  ILE  94          HD13      ILE  94   2.414  -6.778   1.227
  718    H    SER  95           HN       SER  95  -1.292  -7.831   4.081
  719    HA   SER  95           HA       SER  95  -3.578  -8.490   2.633
  720   1HB   SER  95          HB2       SER  95  -2.249 -10.187   3.754
  721   2HB   SER  95          HB3       SER  95  -2.652  -9.508   5.333
  722    HG   SER  95           HG       SER  95  -4.732 -10.193   5.095
  723    H    LYS  96           HN       LYS  96  -3.216  -6.350   5.222
  724    HA   LYS  96           HA       LYS  96  -5.925  -6.543   6.216
  725   1HB   LYS  96          HB2       LYS  96  -4.047  -4.294   6.861
  726   2HB   LYS  96          HB3       LYS  96  -5.280  -5.040   7.872
  727   1HG   LYS  96          HG2       LYS  96  -2.810  -6.506   7.013
  728   2HG   LYS  96          HG3       LYS  96  -2.878  -5.524   8.477
  729   1HD   LYS  96          HD2       LYS  96  -5.119  -7.367   8.188
  730   2HD   LYS  96          HD3       LYS  96  -3.552  -8.173   8.308
  731   1HE   LYS  96          HE2       LYS  96  -4.650  -6.131  10.239
  732   2HE   LYS  96          HE3       LYS  96  -4.580  -7.871  10.510
  733   1HZ   LYS  96          HZ1       LYS  96  -2.233  -6.095  10.109
  734   2HZ   LYS  96          HZ2       LYS  96  -2.173  -7.761  10.393
  735   3HZ   LYS  96          HZ3       LYS  96  -2.751  -6.720  11.594
  736    H    PHE  97           HN       PHE  97  -4.724  -5.380   3.475
  737    HA   PHE  97           HA       PHE  97  -5.363  -2.779   3.121
  738   1HB   PHE  97          HB2       PHE  97  -6.026  -3.528   0.702
  739   2HB   PHE  97          HB3       PHE  97  -4.369  -3.661   1.273
  740    HD1  PHE  97           HD1      PHE  97  -3.930  -5.316  -0.538
  741    HD2  PHE  97           HD2      PHE  97  -6.815  -6.024   2.513
  742    HE1  PHE  97           HE1      PHE  97  -3.957  -7.707  -1.116
  743    HE2  PHE  97           HE2      PHE  97  -6.840  -8.417   1.937
  744    HZ   PHE  97           HZ       PHE  97  -5.291  -9.237   0.040
  745    H    TRP  98           HN       TRP  98  -7.768  -5.208   3.777
  746    HA   TRP  98           HA       TRP  98  -9.760  -3.111   3.280
  747   1HB   TRP  98          HB2       TRP  98 -11.404  -4.872   2.537
  748   2HB   TRP  98          HB3       TRP  98 -10.120  -4.486   1.403
  749    HD1  TRP  98           HD1      TRP  98  -8.955  -6.487   0.367
  750    HE1  TRP  98           HE1      TRP  98  -8.748  -8.994   0.903
  751    HE3  TRP  98           HE3      TRP  98 -11.415  -6.578   4.857
  752    HZ2  TRP  98           HZ2      TRP  98  -9.527 -10.775   2.942
  753    HZ3  TRP  98           HZ3      TRP  98 -11.644  -8.728   6.027
  754    HH2  TRP  98           HH2      TRP  98 -10.721 -10.783   5.088
  755    H    LYS  99           HN       LYS  99  -8.483  -5.213   5.530
  756    HA   LYS  99           HA       LYS  99 -11.000  -5.523   6.967
  757   1HB   LYS  99          HB2       LYS  99  -9.783  -6.923   8.516
  758   2HB   LYS  99          HB3       LYS  99  -9.441  -7.431   6.873
  759   1HG   LYS  99          HG2       LYS  99  -7.354  -7.514   7.806
  760   2HG   LYS  99          HG3       LYS  99  -7.355  -5.890   7.124
  761   1HD   LYS  99          HD2       LYS  99  -6.428  -5.968   9.411
  762   2HD   LYS  99          HD3       LYS  99  -7.851  -4.937   9.293
  763   1HE   LYS  99          HE2       LYS  99  -9.232  -6.715  10.209
  764   2HE   LYS  99          HE3       LYS  99  -7.831  -7.782  10.293
  765   1HZ   LYS  99          HZ1       LYS  99  -8.308  -6.793  12.440
  766   2HZ   LYS  99          HZ2       LYS  99  -8.164  -5.238  11.789
  767   3HZ   LYS  99          HZ3       LYS  99  -6.811  -6.249  11.864
  768    H    SER 100           HN       SER 100  -8.720  -3.186   6.632
  769    HA   SER 100           HA       SER 100  -8.559  -2.326   9.380
  770   1HB   SER 100          HB2       SER 100  -7.386  -0.347   8.421
  771   2HB   SER 100          HB3       SER 100  -6.677  -1.880   7.912
  772    HG   SER 100           HG       SER 100  -7.911  -1.659   5.958
  773    H    HIS 101           HN       HIS 101 -10.771  -1.987   6.828
  774    HA   HIS 101           HA       HIS 101 -12.107   0.225   8.249
  775   1HB   HIS 101          HB2       HIS 101 -11.954  -0.253   5.268
  776   2HB   HIS 101          HB3       HIS 101 -13.022   0.924   6.025
  777    HD1  HIS 101           HD1      HIS 101 -11.960   3.091   6.914
  778    HD2  HIS 101           HD2      HIS 101  -9.233   0.454   5.219
  779    HE1  HIS 101           HE1      HIS 101  -9.838   4.409   6.631
  780    HE2  HIS 101           HE2      HIS 101  -8.170   2.761   5.709
  781    H    LYS 102           HN       LYS 102 -12.333  -2.929   6.912
  782    HA   LYS 102           HA       LYS 102 -15.247  -2.916   7.324
  783   1HB   LYS 102          HB2       LYS 102 -13.548  -4.635   5.515
  784   2HB   LYS 102          HB3       LYS 102 -15.257  -4.902   5.808
  785   1HG   LYS 102          HG2       LYS 102 -15.755  -2.684   4.886
  786   2HG   LYS 102          HG3       LYS 102 -14.035  -2.451   4.562
  787   1HD   LYS 102          HD2       LYS 102 -14.053  -4.382   3.064
  788   2HD   LYS 102          HD3       LYS 102 -15.767  -4.637   3.403
  789   1HE   LYS 102          HE2       LYS 102 -14.532  -2.228   2.070
  790   2HE   LYS 102          HE3       LYS 102 -15.491  -3.483   1.287
  791   1HZ   LYS 102          HZ1       LYS 102 -16.819  -1.523   1.724
  792   2HZ   LYS 102          HZ2       LYS 102 -16.464  -1.608   3.376
  793   3HZ   LYS 102          HZ3       LYS 102 -17.385  -2.825   2.645
  794    H    THR 103           HN       THR 103 -14.746  -3.249   9.618
  795    HA   THR 103           HA       THR 103 -14.722  -6.077  10.244
  796    HB   THR 103           HB       THR 103 -12.999  -5.577  12.136
  797    HG1  THR 103           HG1      THR 103 -12.547  -3.481  10.281
  798   1HG2  THR 103          HG21      THR 103 -11.157  -6.294  10.704
  799   2HG2  THR 103          HG22      THR 103 -12.083  -5.851   9.269
  800   3HG2  THR 103          HG23      THR 103 -12.634  -7.171  10.300
  801    H    LYS 104           HN       LYS 104 -14.595  -2.794  11.582
  802    HA   LYS 104           HA       LYS 104 -17.020  -3.203  13.062
  803   1HB   LYS 104          HB2       LYS 104 -15.976  -2.717  15.283
  804   2HB   LYS 104          HB3       LYS 104 -15.544  -4.288  14.620
  805   1HG   LYS 104          HG2       LYS 104 -13.452  -3.086  13.722
  806   2HG   LYS 104          HG3       LYS 104 -13.872  -1.826  14.883
  807   1HD   LYS 104          HD2       LYS 104 -13.820  -3.478  16.690
  808   2HD   LYS 104          HD3       LYS 104 -13.398  -4.735  15.525
  809   1HE   LYS 104          HE2       LYS 104 -11.433  -3.901  16.744
  810   2HE   LYS 104          HE3       LYS 104 -11.319  -3.602  15.010
  811   1HZ   LYS 104          HZ1       LYS 104 -12.007  -1.321  15.389
  812   2HZ   LYS 104          HZ2       LYS 104 -10.624  -1.678  16.296
  813   3HZ   LYS 104          HZ3       LYS 104 -12.134  -1.605  17.053
  814    H    ILE 105           HN       ILE 105 -15.248  -1.370  11.217
  815    HA   ILE 105           HA       ILE 105 -15.521   1.165  12.630
  816    HB   ILE 105           HB       ILE 105 -14.395   0.575   9.890
  817   1HG1  ILE 105          HG12      ILE 105 -12.239   1.280  11.144
  818   2HG1  ILE 105          HG13      ILE 105 -13.151   0.927  12.607
  819   1HG2  ILE 105          HG21      ILE 105 -15.214   2.814   9.921
  820   2HG2  ILE 105          HG22      ILE 105 -14.500   3.109  11.507
  821   3HG2  ILE 105          HG23      ILE 105 -13.459   2.884  10.100
  822   1HD1  ILE 105          HD11      ILE 105 -11.720  -0.934  11.863
  823   2HD1  ILE 105          HD12      ILE 105 -13.428  -1.362  11.937
  824   3HD1  ILE 105          HD13      ILE 105 -12.669  -1.036  10.381
  825    H    ARG 106           HN       ARG 106 -16.673  -0.360   9.625
  826    HA   ARG 106           HA       ARG 106 -18.632   1.788   9.301
  827   1HB   ARG 106          HB2       ARG 106 -17.949  -0.510   7.459
  828   2HB   ARG 106          HB3       ARG 106 -19.048   0.809   7.087
  829   1HG   ARG 106          HG2       ARG 106 -17.171   2.394   7.295
  830   2HG   ARG 106          HG3       ARG 106 -16.085   1.032   7.578
  831   1HD   ARG 106          HD2       ARG 106 -16.012   1.771   5.246
  832   2HD   ARG 106          HD3       ARG 106 -16.629   0.124   5.385
  833    HE   ARG 106           HE       ARG 106 -18.871   1.658   5.377
  834   1HH1  ARG 106          HH12      ARG 106 -16.116   1.391   3.258
  835   2HH1  ARG 106          HH11      ARG 106 -17.008   1.813   1.835
  836   1HH2  ARG 106          HH22      ARG 106 -20.052   2.213   3.510
  837   2HH2  ARG 106          HH21      ARG 106 -19.247   2.280   1.978
  838    H    GLU 107           HN       GLU 107 -18.429  -1.697   9.796
  839    HA   GLU 107           HA       GLU 107 -21.284  -2.058   9.732
  840   1HB   GLU 107          HB2       GLU 107 -19.092  -3.930  10.647
  841   2HB   GLU 107          HB3       GLU 107 -20.776  -4.374  10.402
  842   1HG   GLU 107          HG2       GLU 107 -20.575  -3.839   8.029
  843   2HG   GLU 107          HG3       GLU 107 -18.889  -3.388   8.275
  844    H    SER 108           HN       SER 108 -22.675  -2.226  11.424
  845    HA   SER 108           HA       SER 108 -21.602  -2.111  14.146
  846   1HB   SER 108          HB2       SER 108 -22.042   0.215  13.547
  847   2HB   SER 108          HB3       SER 108 -23.680  -0.202  13.048
  848    HG   SER 108           HG       SER 108 -24.182   0.192  15.044
  Start of MODEL    5
    1   1H    MET   1          H1        MET   1  20.855   0.518   0.347
    2   2H    MET   1          H2        MET   1  21.052   1.038   1.944
    3   3H    MET   1          H3        MET   1  22.261   0.119   1.201
    4    HA   MET   1           HA       MET   1  22.912   2.422   1.302
    5   1HB   MET   1          HB2       MET   1  23.588   1.002  -0.629
    6   2HB   MET   1          HB3       MET   1  22.189   1.593  -1.515
    7   1HG   MET   1          HG2       MET   1  24.135   2.786  -2.231
    8   2HG   MET   1          HG3       MET   1  23.080   3.882  -1.341
    9   1HE   MET   1          HE1       MET   1  26.688   5.184  -0.493
   10   2HE   MET   1          HE2       MET   1  26.106   4.528  -2.023
   11   3HE   MET   1          HE3       MET   1  25.092   5.634  -1.094
   12    H    ALA   2           HN       ALA   2  19.788   1.877  -0.198
   13    HA   ALA   2           HA       ALA   2  19.011   4.601   0.436
   14   1HB   ALA   2          HB1       ALA   2  18.820   3.572  -2.392
   15   2HB   ALA   2          HB2       ALA   2  18.210   5.118  -1.803
   16   3HB   ALA   2          HB3       ALA   2  19.946   4.804  -1.822
   17    H    ALA   3           HN       ALA   3  17.730   2.035  -1.685
   18    HA   ALA   3           HA       ALA   3  15.081   2.313  -0.703
   19   1HB   ALA   3          HB1       ALA   3  15.580   1.477  -2.951
   20   2HB   ALA   3          HB2       ALA   3  16.293   0.024  -2.250
   21   3HB   ALA   3          HB3       ALA   3  14.572   0.350  -2.044
   22    H    GLY   4           HN       GLY   4  13.899   0.190   0.018
   23   1HA   GLY   4          HA1       GLY   4  13.624  -1.484   1.584
   24   2HA   GLY   4          HA2       GLY   4  15.373  -1.559   1.748
   25    H    GLU   5           HN       GLU   5  13.947  -1.870   3.988
   26    HA   GLU   5           HA       GLU   5  13.683  -1.119   6.118
   27   1HB   GLU   5          HB2       GLU   5  15.654   0.986   5.207
   28   2HB   GLU   5          HB3       GLU   5  15.208   0.678   6.879
   29   1HG   GLU   5          HG2       GLU   5  16.108  -1.590   6.696
   30   2HG   GLU   5          HG3       GLU   5  16.576  -1.262   5.027
   31    H    LEU   6           HN       LEU   6  12.165   0.127   3.736
   32    HA   LEU   6           HA       LEU   6  11.443   2.753   4.638
   33   1HB   LEU   6          HB2       LEU   6   9.475   2.211   2.943
   34   2HB   LEU   6          HB3       LEU   6  11.075   2.681   2.406
   35    HG   LEU   6           HG       LEU   6  11.643   0.333   2.003
   36   1HD1  LEU   6          HD11      LEU   6  10.252  -0.700   3.714
   37   2HD1  LEU   6          HD12      LEU   6   8.799  -0.238   2.828
   38   3HD1  LEU   6          HD13      LEU   6   9.927  -1.400   2.129
   39   1HD2  LEU   6          HD21      LEU   6  10.736   1.565   0.155
   40   2HD2  LEU   6          HD22      LEU   6  10.061  -0.065   0.124
   41   3HD2  LEU   6          HD23      LEU   6   9.088   1.282   0.716
   42    H    GLU   7           HN       GLU   7  11.068   0.431   6.466
   43    HA   GLU   7           HA       GLU   7   9.656  -0.154   8.141
   44   1HB   GLU   7          HB2       GLU   7   7.917   2.085   7.092
   45   2HB   GLU   7          HB3       GLU   7   7.706   1.262   8.630
   46   1HG   GLU   7          HG2       GLU   7  10.102   2.902   7.837
   47   2HG   GLU   7          HG3       GLU   7   8.785   3.437   8.881
   48    H    GLY   8           HN       GLY   8   8.502  -1.948   8.172
   49   1HA   GLY   8          HA1       GLY   8   6.434  -2.325   6.099
   50   2HA   GLY   8          HA2       GLY   8   7.562  -3.605   6.517
   51    H    GLY   9           HN       GLY   9   6.859  -1.889   9.271
   52   1HA   GLY   9          HA1       GLY   9   5.206  -4.047  10.266
   53   2HA   GLY   9          HA2       GLY   9   5.868  -2.721  11.205
   54    H    LYS  10           HN       LYS  10   4.854  -0.491  10.382
   55    HA   LYS  10           HA       LYS  10   1.942  -0.917  10.272
   56   1HB   LYS  10          HB2       LYS  10   3.396   1.280  11.752
   57   2HB   LYS  10          HB3       LYS  10   1.653   1.069  11.673
   58   1HG   LYS  10          HG2       LYS  10   3.536  -0.961  12.849
   59   2HG   LYS  10          HG3       LYS  10   2.704   0.280  13.786
   60   1HD   LYS  10          HD2       LYS  10   0.546  -0.617  13.066
   61   2HD   LYS  10          HD3       LYS  10   1.373  -1.852  12.114
   62   1HE   LYS  10          HE2       LYS  10   2.325  -2.813  14.113
   63   2HE   LYS  10          HE3       LYS  10   1.641  -1.522  15.100
   64   1HZ   LYS  10          HZ1       LYS  10   0.319  -3.536  15.238
   65   2HZ   LYS  10          HZ2       LYS  10   0.086  -3.534  13.563
   66   3HZ   LYS  10          HZ3       LYS  10  -0.573  -2.296  14.508
   67    HA   PRO  11           HA       PRO  11   2.905   3.315   7.965
   68   1HB   PRO  11          HB2       PRO  11   5.716   2.774   7.170
   69   2HB   PRO  11          HB3       PRO  11   4.955   4.289   7.670
   70   1HG   PRO  11          HG2       PRO  11   6.591   2.992   9.318
   71   2HG   PRO  11          HG3       PRO  11   5.122   3.778   9.931
   72   1HD   PRO  11          HD2       PRO  11   5.631   0.877   9.379
   73   2HD   PRO  11          HD3       PRO  11   4.774   1.632  10.738
   74    H    LEU  12           HN       LEU  12   3.832   0.105   7.210
   75    HA   LEU  12           HA       LEU  12   3.869   0.460   4.348
   76   1HB   LEU  12          HB2       LEU  12   5.167  -1.296   5.576
   77   2HB   LEU  12          HB3       LEU  12   3.653  -2.119   5.891
   78    HG   LEU  12           HG       LEU  12   3.400  -2.005   3.275
   79   1HD1  LEU  12          HD11      LEU  12   5.524  -2.182   2.116
   80   2HD1  LEU  12          HD12      LEU  12   5.375  -0.619   2.920
   81   3HD1  LEU  12          HD13      LEU  12   6.388  -1.881   3.624
   82   1HD2  LEU  12          HD21      LEU  12   5.269  -3.920   4.664
   83   2HD2  LEU  12          HD22      LEU  12   3.512  -4.054   4.590
   84   3HD2  LEU  12          HD23      LEU  12   4.470  -4.197   3.116
   85    H    SER  13           HN       SER  13   1.470  -0.019   6.738
   86    HA   SER  13           HA       SER  13  -0.479  -1.308   5.103
   87   1HB   SER  13          HB2       SER  13  -0.616  -1.401   7.545
   88   2HB   SER  13          HB3       SER  13  -0.824   0.347   7.616
   89    HG   SER  13           HG       SER  13  -2.843   0.149   6.968
   90    H    GLY  14           HN       GLY  14   0.286   2.039   5.893
   91   1HA   GLY  14          HA1       GLY  14  -1.944   3.040   4.320
   92   2HA   GLY  14          HA2       GLY  14  -0.775   4.004   5.206
   93    H    LEU  15           HN       LEU  15   0.583   1.588   3.256
   94    HA   LEU  15           HA       LEU  15   1.996   3.403   1.632
   95   1HB   LEU  15          HB2       LEU  15   1.880   0.613   2.100
   96   2HB   LEU  15          HB3       LEU  15   1.801   0.856   0.371
   97    HG   LEU  15           HG       LEU  15   4.108   0.484   1.312
   98   1HD1  LEU  15          HD11      LEU  15   3.612   1.573  -0.875
   99   2HD1  LEU  15          HD12      LEU  15   3.740   3.134  -0.067
  100   3HD1  LEU  15          HD13      LEU  15   5.140   2.064  -0.147
  101   1HD2  LEU  15          HD21      LEU  15   3.476   2.138   3.278
  102   2HD2  LEU  15          HD22      LEU  15   5.135   1.973   2.703
  103   3HD2  LEU  15          HD23      LEU  15   4.146   3.329   2.166
  104    H    LEU  16           HN       LEU  16  -0.907   1.493   1.131
  105    HA   LEU  16           HA       LEU  16  -1.218   2.112  -1.624
  106   1HB   LEU  16          HB2       LEU  16  -3.414   1.356   0.309
  107   2HB   LEU  16          HB3       LEU  16  -3.422   1.162  -1.432
  108    HG   LEU  16           HG       LEU  16  -3.045  -1.001  -0.750
  109   1HD1  LEU  16          HD11      LEU  16  -0.239   0.097  -0.886
  110   2HD1  LEU  16          HD12      LEU  16  -0.721  -1.579  -1.145
  111   3HD1  LEU  16          HD13      LEU  16  -1.248  -0.326  -2.271
  112   1HD2  LEU  16          HD21      LEU  16  -1.039  -0.274   1.354
  113   2HD2  LEU  16          HD22      LEU  16  -2.769  -0.190   1.690
  114   3HD2  LEU  16          HD23      LEU  16  -2.037  -1.720   1.209
  115    H    ASN  17           HN       ASN  17  -1.720   3.763   1.277
  116    HA   ASN  17           HA       ASN  17  -3.675   5.652   0.311
  117   1HB   ASN  17          HB2       ASN  17  -3.854   5.194   2.604
  118   2HB   ASN  17          HB3       ASN  17  -2.110   5.279   2.852
  119   1HD2  ASN  17          HD21      ASN  17  -2.245   6.756   4.505
  120   2HD2  ASN  17          HD22      ASN  17  -2.715   8.401   4.266
  121    H    ALA  18           HN       ALA  18  -0.308   5.934   1.471
  122    HA   ALA  18           HA       ALA  18   0.211   8.553   0.815
  123   1HB   ALA  18          HB1       ALA  18   2.608   7.733   0.484
  124   2HB   ALA  18          HB2       ALA  18   1.845   7.455   2.049
  125   3HB   ALA  18          HB3       ALA  18   1.974   6.139   0.884
  126    H    LEU  19           HN       LEU  19   0.965   5.724  -1.195
  127    HA   LEU  19           HA       LEU  19   1.897   7.050  -3.443
  128   1HB   LEU  19          HB2       LEU  19   0.352   4.470  -3.441
  129   2HB   LEU  19          HB3       LEU  19   1.517   5.000  -4.637
  130    HG   LEU  19           HG       LEU  19   2.315   4.551  -1.777
  131   1HD1  LEU  19          HD11      LEU  19   2.739   2.302  -2.149
  132   2HD1  LEU  19          HD12      LEU  19   1.168   2.542  -2.907
  133   3HD1  LEU  19          HD13      LEU  19   2.623   2.466  -3.901
  134   1HD2  LEU  19          HD21      LEU  19   4.518   4.219  -2.783
  135   2HD2  LEU  19          HD22      LEU  19   3.832   4.499  -4.383
  136   3HD2  LEU  19          HD23      LEU  19   3.856   5.801  -3.195
  137    H    ALA  20           HN       ALA  20  -1.419   6.201  -2.558
  138    HA   ALA  20           HA       ALA  20  -2.567   6.921  -5.050
  139   1HB   ALA  20          HB1       ALA  20  -4.684   6.673  -4.000
  140   2HB   ALA  20          HB2       ALA  20  -3.624   5.421  -3.351
  141   3HB   ALA  20          HB3       ALA  20  -3.979   6.861  -2.393
  142    H    GLN  21           HN       GLN  21  -1.604   8.956  -5.501
  143    HA   GLN  21           HA       GLN  21  -2.245  11.227  -3.833
  144   1HB   GLN  21          HB2       GLN  21  -1.092  11.264  -6.624
  145   2HB   GLN  21          HB3       GLN  21  -0.982  12.525  -5.404
  146   1HG   GLN  21          HG2       GLN  21   0.487  11.196  -4.068
  147   2HG   GLN  21          HG3       GLN  21   0.251   9.798  -5.118
  148   1HE2  GLN  21          HE21      GLN  21   2.716  11.110  -4.382
  149   2HE2  GLN  21          HE22      GLN  21   3.451  11.637  -5.854
  150    H    ASP  22           HN       ASP  22  -4.544   9.925  -4.566
  151    HA   ASP  22           HA       ASP  22  -6.630  10.296  -5.363
  152   1HB   ASP  22          HB2       ASP  22  -6.393  12.570  -4.544
  153   2HB   ASP  22          HB3       ASP  22  -5.519  13.036  -5.999
  154    H    THR  23           HN       THR  23  -6.666   8.821  -6.987
  155    HA   THR  23           HA       THR  23  -5.490   9.376  -9.562
  156    HB   THR  23           HB       THR  23  -6.268   7.199 -10.227
  157    HG1  THR  23           HG1      THR  23  -8.360   7.446  -9.103
  158   1HG2  THR  23          HG21      THR  23  -5.247   5.786  -8.519
  159   2HG2  THR  23          HG22      THR  23  -5.367   7.096  -7.342
  160   3HG2  THR  23          HG23      THR  23  -4.305   7.261  -8.742
  161    H    PHE  24           HN       PHE  24  -8.431  10.086  -8.041
  162    HA   PHE  24           HA       PHE  24 -10.264   9.874 -10.154
  163   1HB   PHE  24          HB2       PHE  24 -10.220  11.821  -7.841
  164   2HB   PHE  24          HB3       PHE  24 -11.598  11.556  -8.903
  165    HD1  PHE  24           HD1      PHE  24  -9.747  10.359  -6.049
  166    HD2  PHE  24           HD2      PHE  24 -12.739   9.348  -8.902
  167    HE1  PHE  24           HE1      PHE  24 -10.502   8.520  -4.598
  168    HE2  PHE  24           HE2      PHE  24 -13.501   7.509  -7.456
  169    HZ   PHE  24           HZ       PHE  24 -12.393   7.108  -5.289
  170    H    HIS  25           HN       HIS  25  -8.879  12.932  -8.936
  171    HA   HIS  25           HA       HIS  25  -8.167  13.803 -11.579
  172   1HB   HIS  25          HB2       HIS  25 -10.638  14.179 -11.528
  173   2HB   HIS  25          HB3       HIS  25 -10.402  15.275 -10.170
  174    HD1  HIS  25           HD1      HIS  25 -10.202  15.077 -13.851
  175    HD2  HIS  25           HD2      HIS  25  -9.074  17.721 -10.850
  176    HE1  HIS  25           HE1      HIS  25  -9.690  17.243 -15.021
  177    HE2  HIS  25           HE2      HIS  25  -8.941  18.806 -13.194
  178    H    GLY  26           HN       GLY  26  -9.155  15.342  -8.502
  179   1HA   GLY  26          HA1       GLY  26  -6.465  16.567  -8.406
  180   2HA   GLY  26          HA2       GLY  26  -7.920  17.434  -7.935
  181    H    TYR  27           HN       TYR  27  -5.335  16.473  -6.583
  182    HA   TYR  27           HA       TYR  27  -6.338  14.791  -4.456
  183   1HB   TYR  27          HB2       TYR  27  -4.014  15.049  -3.544
  184   2HB   TYR  27          HB3       TYR  27  -4.084  14.373  -5.167
  185    HD1  TYR  27           HD1      TYR  27  -2.994  17.177  -3.122
  186    HD2  TYR  27           HD2      TYR  27  -3.386  15.735  -7.106
  187    HE1  TYR  27           HE1      TYR  27  -1.445  18.920  -3.900
  188    HE2  TYR  27           HE2      TYR  27  -1.836  17.474  -7.895
  189    HH   TYR  27           HH       TYR  27   0.094  19.296  -5.812
  190    HA   PRO  28           HA       PRO  28  -7.487  18.273  -1.922
  191   1HB   PRO  28          HB2       PRO  28  -8.065  16.961   0.352
  192   2HB   PRO  28          HB3       PRO  28  -9.095  16.843  -1.081
  193   1HG   PRO  28          HG2       PRO  28  -7.037  14.922  -0.063
  194   2HG   PRO  28          HG3       PRO  28  -8.648  14.592  -0.728
  195   1HD   PRO  28          HD2       PRO  28  -6.329  14.355  -2.166
  196   2HD   PRO  28          HD3       PRO  28  -7.910  14.701  -2.892
  197    H    GLY  29           HN       GLY  29  -5.149  15.884  -0.789
  198   1HA   GLY  29          HA1       GLY  29  -3.313  17.883   0.069
  199   2HA   GLY  29          HA2       GLY  29  -4.126  17.150   1.443
  200    H    ILE  30           HN       ILE  30  -2.890  15.837  -1.627
  201    HA   ILE  30           HA       ILE  30  -0.931  14.253  -0.164
  202    HB   ILE  30           HB       ILE  30  -2.844  12.780  -0.154
  203   1HG1  ILE  30          HG12      ILE  30  -1.920  10.892  -1.604
  204   2HG1  ILE  30          HG13      ILE  30  -0.691  12.037  -2.133
  205   1HG2  ILE  30          HG21      ILE  30  -4.064  13.802  -2.025
  206   2HG2  ILE  30          HG22      ILE  30  -2.929  13.064  -3.153
  207   3HG2  ILE  30          HG23      ILE  30  -3.975  12.046  -2.162
  208   1HD1  ILE  30          HD11      ILE  30   0.114  12.272   0.126
  209   2HD1  ILE  30          HD12      ILE  30  -1.178  11.234   0.724
  210   3HD1  ILE  30          HD13      ILE  30   0.076  10.566  -0.320
  211    H    THR  31           HN       THR  31   0.921  14.640  -1.175
  212    HA   THR  31           HA       THR  31   0.947  14.614  -4.118
  213    HB   THR  31           HB       THR  31   1.136  16.951  -3.298
  214    HG1  THR  31           HG1      THR  31   3.667  16.271  -4.326
  215   1HG2  THR  31          HG21      THR  31   3.244  17.636  -2.194
  216   2HG2  THR  31          HG22      THR  31   3.668  15.934  -2.010
  217   3HG2  THR  31          HG23      THR  31   2.251  16.583  -1.186
  218    H    GLU  32           HN       GLU  32   3.525  14.705  -4.718
  219    HA   GLU  32           HA       GLU  32   4.479  12.146  -4.113
  220   1HB   GLU  32          HB2       GLU  32   5.994  14.532  -5.181
  221   2HB   GLU  32          HB3       GLU  32   6.574  12.874  -5.206
  222   1HG   GLU  32          HG2       GLU  32   4.715  12.244  -6.658
  223   2HG   GLU  32          HG3       GLU  32   4.135  13.909  -6.634
  224    H    GLU  33           HN       GLU  33   5.470  15.314  -2.862
  225    HA   GLU  33           HA       GLU  33   7.570  14.381  -1.244
  226   1HB   GLU  33          HB2       GLU  33   5.850  16.835  -0.861
  227   2HB   GLU  33          HB3       GLU  33   7.410  16.545  -0.104
  228   1HG   GLU  33          HG2       GLU  33   8.488  16.556  -2.285
  229   2HG   GLU  33          HG3       GLU  33   6.926  16.806  -3.064
  230    H    LEU  34           HN       LEU  34   4.136  14.343  -0.790
  231    HA   LEU  34           HA       LEU  34   4.315  13.968   2.071
  232   1HB   LEU  34          HB2       LEU  34   2.153  14.319   0.113
  233   2HB   LEU  34          HB3       LEU  34   1.763  13.267   1.450
  234    HG   LEU  34           HG       LEU  34   2.122  15.000   3.021
  235   1HD1  LEU  34          HD11      LEU  34   4.029  16.124   2.316
  236   2HD1  LEU  34          HD12      LEU  34   3.348  16.467   0.726
  237   3HD1  LEU  34          HD13      LEU  34   2.747  17.323   2.146
  238   1HD2  LEU  34          HD21      LEU  34   0.628  16.107   0.655
  239   2HD2  LEU  34          HD22      LEU  34  -0.033  15.046   1.898
  240   3HD2  LEU  34          HD23      LEU  34   0.489  16.677   2.318
  241    H    LEU  35           HN       LEU  35   3.487  11.966  -0.743
  242    HA   LEU  35           HA       LEU  35   2.724   9.645   0.429
  243   1HB   LEU  35          HB2       LEU  35   3.011   8.725  -1.609
  244   2HB   LEU  35          HB3       LEU  35   3.291  10.382  -2.083
  245    HG   LEU  35           HG       LEU  35   5.809   9.755  -1.548
  246   1HD1  LEU  35          HD11      LEU  35   4.511   7.113  -2.180
  247   2HD1  LEU  35          HD12      LEU  35   6.241   7.425  -2.321
  248   3HD1  LEU  35          HD13      LEU  35   5.452   7.532  -0.749
  249   1HD2  LEU  35          HD21      LEU  35   5.079  10.564  -3.681
  250   2HD2  LEU  35          HD22      LEU  35   6.051   9.117  -3.940
  251   3HD2  LEU  35          HD23      LEU  35   4.293   9.029  -4.049
  252    H    ARG  36           HN       ARG  36   5.986  10.915   0.187
  253    HA   ARG  36           HA       ARG  36   7.193   8.575   1.381
  254   1HB   ARG  36          HB2       ARG  36   8.658   9.536  -0.110
  255   2HB   ARG  36          HB3       ARG  36   8.162  11.174   0.289
  256   1HG   ARG  36          HG2       ARG  36   9.318  10.819   2.522
  257   2HG   ARG  36          HG3       ARG  36  10.023   9.369   1.800
  258   1HD   ARG  36          HD2       ARG  36  11.170  10.627   0.169
  259   2HD   ARG  36          HD3       ARG  36  10.225  12.075   0.505
  260    HE   ARG  36           HE       ARG  36  11.851  11.074   2.693
  261   1HH1  ARG  36          HH12      ARG  36  11.577  13.297   0.023
  262   2HH1  ARG  36          HH11      ARG  36  12.800  14.367   0.622
  263   1HH2  ARG  36          HH22      ARG  36  13.456  12.479   3.490
  264   2HH2  ARG  36          HH21      ARG  36  13.862  13.906   2.596
  265    H    SER  37           HN       SER  37   7.046  12.008   2.304
  266    HA   SER  37           HA       SER  37   8.095  11.754   4.859
  267   1HB   SER  37          HB2       SER  37   6.101  13.786   3.844
  268   2HB   SER  37          HB3       SER  37   7.057  13.946   5.317
  269    HG   SER  37           HG       SER  37   8.242  13.533   2.782
  270    H    GLN  38           HN       GLN  38   4.945  10.838   3.780
  271    HA   GLN  38           HA       GLN  38   3.834  10.997   6.462
  272   1HB   GLN  38          HB2       GLN  38   2.612  10.073   3.862
  273   2HB   GLN  38          HB3       GLN  38   1.756  10.148   5.396
  274   1HG   GLN  38          HG2       GLN  38   2.702  12.670   5.253
  275   2HG   GLN  38          HG3       GLN  38   2.516  12.298   3.542
  276   1HE2  GLN  38          HE21      GLN  38   0.845  13.776   3.315
  277   2HE2  GLN  38          HE22      GLN  38  -0.740  13.477   3.935
  278    H    LEU  39           HN       LEU  39   5.706   8.788   4.813
  279    HA   LEU  39           HA       LEU  39   4.911   6.698   6.688
  280   1HB   LEU  39          HB2       LEU  39   5.094   6.273   3.708
  281   2HB   LEU  39          HB3       LEU  39   4.980   4.982   4.890
  282    HG   LEU  39           HG       LEU  39   2.885   7.125   4.537
  283   1HD1  LEU  39          HD11      LEU  39   1.706   5.797   3.109
  284   2HD1  LEU  39          HD12      LEU  39   3.349   5.368   2.630
  285   3HD1  LEU  39          HD13      LEU  39   2.442   4.307   3.710
  286   1HD2  LEU  39          HD21      LEU  39   2.722   6.265   6.718
  287   2HD2  LEU  39          HD22      LEU  39   1.518   5.380   5.783
  288   3HD2  LEU  39          HD23      LEU  39   3.059   4.620   6.185
  289    H    TYR  40           HN       TYR  40   7.142   7.046   3.894
  290    HA   TYR  40           HA       TYR  40   9.290   6.159   5.705
  291   1HB   TYR  40          HB2       TYR  40  10.379   5.562   3.344
  292   2HB   TYR  40          HB3       TYR  40   9.359   4.437   4.224
  293    HD1  TYR  40           HD1      TYR  40   7.587   3.435   3.108
  294    HD2  TYR  40           HD2      TYR  40   9.120   7.129   1.640
  295    HE1  TYR  40           HE1      TYR  40   6.076   3.291   1.176
  296    HE2  TYR  40           HE2      TYR  40   7.614   6.985  -0.288
  297    HH   TYR  40           HH       TYR  40   5.025   4.833  -0.455
  298    HA   PRO  41           HA       PRO  41  10.345  10.490   4.417
  299   1HB   PRO  41          HB2       PRO  41  11.548  10.530   7.107
  300   2HB   PRO  41          HB3       PRO  41  10.406  11.659   6.371
  301   1HG   PRO  41          HG2       PRO  41   9.662   9.969   8.322
  302   2HG   PRO  41          HG3       PRO  41   8.566  10.420   7.003
  303   1HD   PRO  41          HD2       PRO  41  10.160   7.912   7.372
  304   2HD   PRO  41          HD3       PRO  41   8.500   8.115   6.774
  305    H    GLU  42           HN       GLU  42  12.040   7.698   5.424
  306    HA   GLU  42           HA       GLU  42  14.687   8.777   5.249
  307   1HB   GLU  42          HB2       GLU  42  15.398   6.393   5.299
  308   2HB   GLU  42          HB3       GLU  42  14.338   6.842   6.627
  309   1HG   GLU  42          HG2       GLU  42  12.444   5.835   5.408
  310   2HG   GLU  42          HG3       GLU  42  13.568   5.315   4.152
  311    H    VAL  43           HN       VAL  43  12.680   6.763   3.095
  312    HA   VAL  43           HA       VAL  43  14.668   6.935   0.998
  313    HB   VAL  43           HB       VAL  43  12.513   5.178   1.585
  314   1HG1  VAL  43          HG11      VAL  43  11.465   4.957  -0.639
  315   2HG1  VAL  43          HG12      VAL  43  11.055   6.475   0.162
  316   3HG1  VAL  43          HG13      VAL  43  12.252   6.456  -1.135
  317   1HG2  VAL  43          HG21      VAL  43  14.757   4.529   0.906
  318   2HG2  VAL  43          HG22      VAL  43  13.545   3.806  -0.152
  319   3HG2  VAL  43          HG23      VAL  43  14.476   5.201  -0.701
  320    HA   PRO  44           HA       PRO  44  13.080  10.781  -0.570
  321   1HB   PRO  44          HB2       PRO  44  14.115  10.597  -3.111
  322   2HB   PRO  44          HB3       PRO  44  15.029  11.140  -1.699
  323   1HG   PRO  44          HG2       PRO  44  14.975   8.454  -3.005
  324   2HG   PRO  44          HG3       PRO  44  16.352   9.350  -2.337
  325   1HD   PRO  44          HD2       PRO  44  15.191   7.319  -1.005
  326   2HD   PRO  44          HD3       PRO  44  15.861   8.731  -0.163
  327    HA   PRO  45           HA       PRO  45   9.434   9.760  -2.844
  328   1HB   PRO  45          HB2       PRO  45   9.468  12.367  -4.167
  329   2HB   PRO  45          HB3       PRO  45   8.365  11.757  -2.934
  330   1HG   PRO  45          HG2       PRO  45  10.156  13.702  -2.416
  331   2HG   PRO  45          HG3       PRO  45   9.675  12.505  -1.194
  332   1HD   PRO  45          HD2       PRO  45  12.128  12.564  -2.926
  333   2HD   PRO  45          HD3       PRO  45  11.993  12.211  -1.189
  334    H    GLU  46           HN       GLU  46  12.111   9.265  -4.183
  335    HA   GLU  46           HA       GLU  46  11.052   9.043  -6.899
  336   1HB   GLU  46          HB2       GLU  46  13.765  10.186  -6.216
  337   2HB   GLU  46          HB3       GLU  46  13.252   9.738  -7.836
  338   1HG   GLU  46          HG2       GLU  46  11.467  11.401  -7.735
  339   2HG   GLU  46          HG3       GLU  46  11.980  11.851  -6.109
  340    H    GLU  47           HN       GLU  47  13.393   8.035  -4.476
  341    HA   GLU  47           HA       GLU  47  14.200   5.733  -6.069
  342   1HB   GLU  47          HB2       GLU  47  15.061   6.696  -3.339
  343   2HB   GLU  47          HB3       GLU  47  15.691   5.250  -4.116
  344   1HG   GLU  47          HG2       GLU  47  16.528   6.626  -5.967
  345   2HG   GLU  47          HG3       GLU  47  15.928   8.067  -5.148
  346    H    PHE  48           HN       PHE  48  11.479   6.231  -4.676
  347    HA   PHE  48           HA       PHE  48  11.272   4.059  -2.801
  348   1HB   PHE  48          HB2       PHE  48   8.894   4.613  -2.741
  349   2HB   PHE  48          HB3       PHE  48   9.864   6.075  -2.609
  350    HD1  PHE  48           HD1      PHE  48  10.121   7.551  -4.623
  351    HD2  PHE  48           HD2      PHE  48   7.347   4.326  -4.486
  352    HE1  PHE  48           HE1      PHE  48   8.893   8.533  -6.511
  353    HE2  PHE  48           HE2      PHE  48   6.114   5.306  -6.375
  354    HZ   PHE  48           HZ       PHE  48   6.894   7.412  -7.395
  355    H    ARG  49           HN       ARG  49  10.624   4.585  -6.180
  356    HA   ARG  49           HA       ARG  49   8.924   2.567  -6.853
  357   1HB   ARG  49          HB2       ARG  49  11.242   3.647  -8.391
  358   2HB   ARG  49          HB3       ARG  49  10.018   2.600  -9.083
  359   1HG   ARG  49          HG2       ARG  49   8.538   4.265  -9.267
  360   2HG   ARG  49          HG3       ARG  49   8.934   4.912  -7.673
  361   1HD   ARG  49          HD2       ARG  49   9.445   6.427  -9.614
  362   2HD   ARG  49          HD3       ARG  49  10.791   6.110  -8.519
  363    HE   ARG  49           HE       ARG  49  11.040   4.227 -10.482
  364   1HH1  ARG  49          HH12      ARG  49  10.851   7.707 -10.429
  365   2HH1  ARG  49          HH11      ARG  49  11.847   7.909 -11.831
  366   1HH2  ARG  49          HH22      ARG  49  12.352   4.484 -12.323
  367   2HH2  ARG  49          HH21      ARG  49  12.702   6.077 -12.909
  368    HA   PRO  50           HA       PRO  50  12.761  -0.427  -7.651
  369   1HB   PRO  50          HB2       PRO  50  14.543  -0.088  -5.493
  370   2HB   PRO  50          HB3       PRO  50  14.848   0.307  -7.185
  371   1HG   PRO  50          HG2       PRO  50  14.049   2.076  -4.941
  372   2HG   PRO  50          HG3       PRO  50  15.035   2.439  -6.368
  373   1HD   PRO  50          HD2       PRO  50  12.496   3.299  -6.127
  374   2HD   PRO  50          HD3       PRO  50  13.184   2.842  -7.698
  375    H    PHE  51           HN       PHE  51  11.565   0.670  -4.534
  376    HA   PHE  51           HA       PHE  51  11.287  -2.145  -3.712
  377   1HB   PHE  51          HB2       PHE  51  12.281   0.083  -2.310
  378   2HB   PHE  51          HB3       PHE  51  10.710  -0.272  -1.598
  379    HD1  PHE  51           HD1      PHE  51  10.350  -2.242  -0.311
  380    HD2  PHE  51           HD2      PHE  51  14.063  -1.605  -2.290
  381    HE1  PHE  51           HE1      PHE  51  11.350  -4.083   0.979
  382    HE2  PHE  51           HE2      PHE  51  15.068  -3.443  -1.006
  383    HZ   PHE  51           HZ       PHE  51  13.713  -4.687   0.632
  384    H    LEU  52           HN       LEU  52   9.610   0.484  -4.891
  385    HA   LEU  52           HA       LEU  52   7.092  -0.140  -3.595
  386   1HB   LEU  52          HB2       LEU  52   8.092   2.213  -4.339
  387   2HB   LEU  52          HB3       LEU  52   7.338   1.787  -5.859
  388    HG   LEU  52           HG       LEU  52   6.142   3.193  -3.871
  389   1HD1  LEU  52          HD11      LEU  52   5.211   3.322  -5.946
  390   2HD1  LEU  52          HD12      LEU  52   5.150   1.571  -6.151
  391   3HD1  LEU  52          HD13      LEU  52   3.992   2.374  -5.091
  392   1HD2  LEU  52          HD21      LEU  52   4.934   0.449  -3.647
  393   2HD2  LEU  52          HD22      LEU  52   6.089   1.085  -2.475
  394   3HD2  LEU  52          HD23      LEU  52   4.545   1.897  -2.720
  395    H    ALA  53           HN       ALA  53   8.885  -1.049  -6.295
  396    HA   ALA  53           HA       ALA  53   6.940  -1.474  -8.256
  397   1HB   ALA  53          HB1       ALA  53   8.522  -3.057  -9.234
  398   2HB   ALA  53          HB2       ALA  53   9.347  -1.593  -8.696
  399   3HB   ALA  53          HB3       ALA  53   9.450  -3.068  -7.734
  400    H    LYS  54           HN       LYS  54   7.979  -3.425  -5.529
  401    HA   LYS  54           HA       LYS  54   6.051  -5.510  -6.194
  402   1HB   LYS  54          HB2       LYS  54   8.099  -5.299  -3.978
  403   2HB   LYS  54          HB3       LYS  54   7.017  -6.668  -4.199
  404   1HG   LYS  54          HG2       LYS  54   8.008  -7.072  -6.411
  405   2HG   LYS  54          HG3       LYS  54   9.120  -5.730  -6.140
  406   1HD   LYS  54          HD2       LYS  54   8.923  -8.165  -4.371
  407   2HD   LYS  54          HD3       LYS  54  10.101  -7.973  -5.670
  408   1HE   LYS  54          HE2       LYS  54   9.820  -6.211  -3.237
  409   2HE   LYS  54          HE3       LYS  54  11.087  -7.404  -3.520
  410   1HZ   LYS  54          HZ1       LYS  54  11.772  -6.109  -5.473
  411   2HZ   LYS  54          HZ2       LYS  54  11.891  -5.215  -4.041
  412   3HZ   LYS  54          HZ3       LYS  54  10.606  -4.940  -5.104
  413    H    MET  55           HN       MET  55   6.006  -2.595  -4.730
  414    HA   MET  55           HA       MET  55   3.873  -3.374  -2.852
  415   1HB   MET  55          HB2       MET  55   6.058  -1.342  -2.653
  416   2HB   MET  55          HB3       MET  55   4.517  -1.002  -1.871
  417   1HG   MET  55          HG2       MET  55   4.780  -2.636  -0.313
  418   2HG   MET  55          HG3       MET  55   5.760  -3.649  -1.370
  419   1HE   MET  55          HE1       MET  55   5.728  -0.351   0.792
  420   2HE   MET  55          HE2       MET  55   7.408   0.166   0.645
  421   3HE   MET  55          HE3       MET  55   6.353   0.180  -0.769
  422    H    ARG  56           HN       ARG  56   3.966  -2.509  -5.808
  423    HA   ARG  56           HA       ARG  56   2.046  -0.287  -5.568
  424   1HB   ARG  56          HB2       ARG  56   2.600   0.252  -7.925
  425   2HB   ARG  56          HB3       ARG  56   3.974   0.400  -6.842
  426   1HG   ARG  56          HG2       ARG  56   4.826  -1.747  -7.603
  427   2HG   ARG  56          HG3       ARG  56   3.437  -1.922  -8.673
  428   1HD   ARG  56          HD2       ARG  56   5.416  -1.126  -9.880
  429   2HD   ARG  56          HD3       ARG  56   4.113   0.060  -9.909
  430    HE   ARG  56           HE       ARG  56   6.112   0.385  -7.826
  431   1HH1  ARG  56          HH12      ARG  56   4.973   1.318 -10.985
  432   2HH1  ARG  56          HH11      ARG  56   5.836   2.820 -10.993
  433   1HH2  ARG  56          HH22      ARG  56   7.246   2.360  -7.827
  434   2HH2  ARG  56          HH21      ARG  56   7.124   3.415  -9.196
  435    H    GLY  57           HN       GLY  57   2.355  -3.556  -6.252
  436   1HA   GLY  57          HA1       GLY  57   0.407  -3.862  -8.295
  437   2HA   GLY  57          HA2       GLY  57   0.953  -5.120  -7.193
  438    H    ILE  58           HN       ILE  58   0.136  -3.017  -5.030
  439    HA   ILE  58           HA       ILE  58  -2.640  -3.953  -4.858
  440    HB   ILE  58           HB       ILE  58  -0.820  -2.845  -2.712
  441   1HG1  ILE  58          HG12      ILE  58  -1.266  -5.269  -1.827
  442   2HG1  ILE  58          HG13      ILE  58  -1.640  -5.618  -3.507
  443   1HG2  ILE  58          HG21      ILE  58  -2.572  -3.448  -1.130
  444   2HG2  ILE  58          HG22      ILE  58  -3.157  -2.266  -2.299
  445   3HG2  ILE  58          HG23      ILE  58  -3.609  -3.964  -2.460
  446   1HD1  ILE  58          HD11      ILE  58   0.957  -4.506  -2.470
  447   2HD1  ILE  58          HD12      ILE  58   0.662  -6.170  -2.974
  448   3HD1  ILE  58          HD13      ILE  58   0.588  -4.865  -4.157
  449    H    LEU  59           HN       LEU  59  -0.697  -1.125  -5.226
  450    HA   LEU  59           HA       LEU  59  -2.500   0.810  -4.239
  451   1HB   LEU  59          HB2       LEU  59  -0.258   1.470  -4.502
  452   2HB   LEU  59          HB3       LEU  59  -0.203   0.925  -6.168
  453    HG   LEU  59           HG       LEU  59  -1.832   2.763  -6.726
  454   1HD1  LEU  59          HD11      LEU  59  -1.753   4.675  -5.025
  455   2HD1  LEU  59          HD12      LEU  59  -2.843   3.325  -4.707
  456   3HD1  LEU  59          HD13      LEU  59  -1.303   3.432  -3.856
  457   1HD2  LEU  59          HD21      LEU  59  -0.098   4.552  -6.596
  458   2HD2  LEU  59          HD22      LEU  59   0.885   3.452  -5.628
  459   3HD2  LEU  59          HD23      LEU  59   0.470   3.033  -7.290
  460    H    LYS  60           HN       LYS  60  -1.752   0.023  -7.656
  461    HA   LYS  60           HA       LYS  60  -3.889   1.555  -8.676
  462   1HB   LYS  60          HB2       LYS  60  -3.260   0.820 -10.774
  463   2HB   LYS  60          HB3       LYS  60  -1.768   0.618  -9.870
  464   1HG   LYS  60          HG2       LYS  60  -3.741  -1.583 -10.441
  465   2HG   LYS  60          HG3       LYS  60  -2.275  -1.270 -11.369
  466   1HD   LYS  60          HD2       LYS  60  -0.939  -1.630  -9.327
  467   2HD   LYS  60          HD3       LYS  60  -2.421  -2.010  -8.447
  468   1HE   LYS  60          HE2       LYS  60  -1.273  -4.045  -9.138
  469   2HE   LYS  60          HE3       LYS  60  -2.830  -3.895  -9.950
  470   1HZ   LYS  60          HZ1       LYS  60  -0.181  -3.248 -11.126
  471   2HZ   LYS  60          HZ2       LYS  60  -1.667  -3.047 -11.907
  472   3HZ   LYS  60          HZ3       LYS  60  -1.133  -4.597 -11.494
  473    H    SER  61           HN       SER  61  -3.811  -1.483  -7.175
  474    HA   SER  61           HA       SER  61  -6.123  -2.602  -8.447
  475   1HB   SER  61          HB2       SER  61  -4.366  -4.000  -7.398
  476   2HB   SER  61          HB3       SER  61  -4.821  -3.355  -5.819
  477    HG   SER  61           HG       SER  61  -6.869  -4.285  -6.092
  478    H    ILE  62           HN       ILE  62  -5.494  -0.965  -5.368
  479    HA   ILE  62           HA       ILE  62  -8.276  -1.110  -4.592
  480    HB   ILE  62           HB       ILE  62  -5.944   0.260  -3.256
  481   1HG1  ILE  62          HG12      ILE  62  -7.327  -2.356  -2.614
  482   2HG1  ILE  62          HG13      ILE  62  -5.765  -2.210  -3.414
  483   1HG2  ILE  62          HG21      ILE  62  -8.058   1.288  -2.622
  484   2HG2  ILE  62          HG22      ILE  62  -8.725  -0.296  -2.225
  485   3HG2  ILE  62          HG23      ILE  62  -7.391   0.362  -1.279
  486   1HD1  ILE  62          HD11      ILE  62  -5.462  -2.737  -1.086
  487   2HD1  ILE  62          HD12      ILE  62  -4.872  -1.108  -1.408
  488   3HD1  ILE  62          HD13      ILE  62  -6.428  -1.339  -0.612
  489    H    ALA  63           HN       ALA  63  -6.061   1.377  -5.788
  490    HA   ALA  63           HA       ALA  63  -7.963   3.493  -5.309
  491   1HB   ALA  63          HB1       ALA  63  -6.289   4.978  -6.181
  492   2HB   ALA  63          HB2       ALA  63  -5.540   3.840  -5.059
  493   3HB   ALA  63          HB3       ALA  63  -5.354   3.616  -6.799
  494    H    SER  64           HN       SER  64  -6.348   2.420  -8.329
  495    HA   SER  64           HA       SER  64  -8.337   3.807  -9.888
  496   1HB   SER  64          HB2       SER  64  -7.043   3.062 -11.834
  497   2HB   SER  64          HB3       SER  64  -5.998   3.789 -10.613
  498    HG   SER  64           HG       SER  64  -5.405   1.654 -11.648
  499    H    ALA  65           HN       ALA  65  -7.673   0.469  -9.028
  500    HA   ALA  65           HA       ALA  65  -9.720  -0.477 -10.876
  501   1HB   ALA  65          HB1       ALA  65  -9.028  -2.733 -10.113
  502   2HB   ALA  65          HB2       ALA  65  -7.707  -1.781 -10.793
  503   3HB   ALA  65          HB3       ALA  65  -7.851  -1.968  -9.047
  504    H    ASP  66           HN       ASP  66  -9.145  -0.163  -7.416
  505    HA   ASP  66           HA       ASP  66 -10.490  -0.422  -5.598
  506   1HB   ASP  66          HB2       ASP  66 -11.681   1.419  -6.797
  507   2HB   ASP  66          HB3       ASP  66 -12.717   0.207  -7.546
  508    H    MET  67           HN       MET  67 -10.144  -2.636  -5.291
  509    HA   MET  67           HA       MET  67 -12.038  -4.495  -6.515
  510   1HB   MET  67          HB2       MET  67  -9.707  -5.138  -4.704
  511   2HB   MET  67          HB3       MET  67 -10.599  -6.255  -5.729
  512   1HG   MET  67          HG2       MET  67  -8.900  -3.975  -6.717
  513   2HG   MET  67          HG3       MET  67  -8.400  -5.663  -6.643
  514   1HE   MET  67          HE1       MET  67 -10.710  -7.366  -9.263
  515   2HE   MET  67          HE2       MET  67  -9.273  -7.554  -8.257
  516   3HE   MET  67          HE3       MET  67 -10.847  -7.295  -7.507
  517    H    ASP  68           HN       ASP  68 -12.433  -6.436  -4.785
  518    HA   ASP  68           HA       ASP  68 -13.950  -5.143  -2.643
  519   1HB   ASP  68          HB2       ASP  68 -14.124  -7.898  -3.871
  520   2HB   ASP  68          HB3       ASP  68 -15.059  -7.406  -2.461
  521    H    PHE  69           HN       PHE  69 -14.225  -7.385  -0.960
  522    HA   PHE  69           HA       PHE  69 -11.615  -7.318   0.353
  523   1HB   PHE  69          HB2       PHE  69 -12.881  -8.220   2.319
  524   2HB   PHE  69          HB3       PHE  69 -13.452  -6.653   1.755
  525    HD1  PHE  69           HD1      PHE  69 -14.206 -10.238   1.947
  526    HD2  PHE  69           HD2      PHE  69 -15.636  -6.395   0.808
  527    HE1  PHE  69           HE1      PHE  69 -16.484 -11.148   1.754
  528    HE2  PHE  69           HE2      PHE  69 -17.916  -7.298   0.614
  529    HZ   PHE  69           HZ       PHE  69 -18.342  -9.675   1.079
  530    H    ASN  70           HN       ASN  70 -13.488  -9.400  -1.549
  531    HA   ASN  70           HA       ASN  70 -12.067 -11.767  -0.526
  532   1HB   ASN  70          HB2       ASN  70 -14.563 -11.862  -0.519
  533   2HB   ASN  70          HB3       ASN  70 -14.538 -11.686  -2.270
  534   1HD2  ASN  70          HD21      ASN  70 -13.892 -13.394  -3.542
  535   2HD2  ASN  70          HD22      ASN  70 -13.710 -14.998  -2.929
  536    H    GLN  71           HN       GLN  71 -11.874  -9.506  -2.903
  537    HA   GLN  71           HA       GLN  71 -10.946 -11.370  -4.964
  538   1HB   GLN  71          HB2       GLN  71 -11.363  -8.382  -5.139
  539   2HB   GLN  71          HB3       GLN  71 -10.991  -9.461  -6.478
  540   1HG   GLN  71          HG2       GLN  71 -13.131 -10.659  -5.980
  541   2HG   GLN  71          HG3       GLN  71 -13.507  -9.373  -4.838
  542   1HE2  GLN  71          HE21      GLN  71 -15.321  -8.743  -5.989
  543   2HE2  GLN  71          HE22      GLN  71 -15.214  -7.896  -7.491
  544    H    LEU  72           HN       LEU  72  -9.824  -8.900  -2.766
  545    HA   LEU  72           HA       LEU  72  -7.202  -8.728  -3.960
  546   1HB   LEU  72          HB2       LEU  72  -8.348  -7.647  -1.391
  547   2HB   LEU  72          HB3       LEU  72  -6.670  -7.442  -1.843
  548    HG   LEU  72           HG       LEU  72  -9.050  -6.375  -3.352
  549   1HD1  LEU  72          HD11      LEU  72  -8.421  -4.244  -2.551
  550   2HD1  LEU  72          HD12      LEU  72  -8.424  -5.314  -1.149
  551   3HD1  LEU  72          HD13      LEU  72  -6.897  -4.854  -1.904
  552   1HD2  LEU  72          HD21      LEU  72  -7.249  -6.966  -4.878
  553   2HD2  LEU  72          HD22      LEU  72  -7.374  -5.213  -4.724
  554   3HD2  LEU  72          HD23      LEU  72  -6.092  -6.082  -3.881
  555    H    GLU  73           HN       GLU  73  -8.731 -10.491  -1.365
  556    HA   GLU  73           HA       GLU  73  -6.541 -11.330   0.105
  557   1HB   GLU  73          HB2       GLU  73  -8.872 -11.772   0.749
  558   2HB   GLU  73          HB3       GLU  73  -9.019 -12.928  -0.567
  559   1HG   GLU  73          HG2       GLU  73  -7.360 -14.358   0.462
  560   2HG   GLU  73          HG3       GLU  73  -7.116 -13.180   1.751
  561    H    ALA  74           HN       ALA  74  -7.579 -12.335  -3.058
  562    HA   ALA  74           HA       ALA  74  -5.899 -14.683  -3.100
  563   1HB   ALA  74          HB1       ALA  74  -6.638 -14.928  -5.409
  564   2HB   ALA  74          HB2       ALA  74  -8.009 -14.653  -4.336
  565   3HB   ALA  74          HB3       ALA  74  -7.401 -13.339  -5.343
  566    H    PHE  75           HN       PHE  75  -5.674 -11.340  -4.035
  567    HA   PHE  75           HA       PHE  75  -3.420 -11.648  -5.765
  568   1HB   PHE  75          HB2       PHE  75  -4.929  -9.734  -5.992
  569   2HB   PHE  75          HB3       PHE  75  -4.497  -9.190  -4.374
  570    HD1  PHE  75           HD1      PHE  75  -2.345  -8.167  -3.938
  571    HD2  PHE  75           HD2      PHE  75  -3.412  -9.460  -7.849
  572    HE1  PHE  75           HE1      PHE  75  -0.492  -6.846  -4.875
  573    HE2  PHE  75           HE2      PHE  75  -1.561  -8.142  -8.792
  574    HZ   PHE  75           HZ       PHE  75  -0.079  -6.856  -7.298
  575    H    LEU  76           HN       LEU  76  -3.876 -10.732  -2.399
  576    HA   LEU  76           HA       LEU  76  -1.232 -10.028  -1.805
  577   1HB   LEU  76          HB2       LEU  76  -3.589  -9.975  -0.487
  578   2HB   LEU  76          HB3       LEU  76  -2.823 -11.332   0.313
  579    HG   LEU  76           HG       LEU  76  -2.577  -9.029   1.377
  580   1HD1  LEU  76          HD11      LEU  76  -0.270  -9.479   2.080
  581   2HD1  LEU  76          HD12      LEU  76  -1.285 -10.921   2.111
  582   3HD1  LEU  76          HD13      LEU  76  -0.135 -10.682   0.797
  583   1HD2  LEU  76          HD21      LEU  76  -2.046  -7.779  -0.642
  584   2HD2  LEU  76          HD22      LEU  76  -0.763  -7.637   0.559
  585   3HD2  LEU  76          HD23      LEU  76  -0.559  -8.703  -0.828
  586    H    THR  77           HN       THR  77  -2.643 -13.080  -2.386
  587    HA   THR  77           HA       THR  77  -0.694 -14.617  -0.907
  588    HB   THR  77           HB       THR  77  -2.628 -15.568  -3.035
  589    HG1  THR  77           HG1      THR  77  -2.907 -15.291  -0.214
  590   1HG2  THR  77          HG21      THR  77  -1.241 -17.086  -0.822
  591   2HG2  THR  77          HG22      THR  77  -0.768 -17.116  -2.521
  592   3HG2  THR  77          HG23      THR  77  -2.337 -17.758  -2.030
  593    H    ALA  78           HN       ALA  78  -1.067 -13.306  -4.083
  594    HA   ALA  78           HA       ALA  78   0.866 -14.954  -5.400
  595   1HB   ALA  78          HB1       ALA  78   0.655 -13.347  -7.229
  596   2HB   ALA  78          HB2       ALA  78  -0.929 -13.832  -6.622
  597   3HB   ALA  78          HB3       ALA  78  -0.255 -12.263  -6.172
  598    H    GLN  79           HN       GLN  79   0.870 -11.640  -4.162
  599    HA   GLN  79           HA       GLN  79   3.434 -10.875  -4.852
  600   1HB   GLN  79          HB2       GLN  79   3.254  -9.284  -2.951
  601   2HB   GLN  79          HB3       GLN  79   1.815  -9.311  -3.967
  602   1HG   GLN  79          HG2       GLN  79   0.514 -10.159  -2.351
  603   2HG   GLN  79          HG3       GLN  79   1.800 -11.162  -1.688
  604   1HE2  GLN  79          HE21      GLN  79   1.939  -7.692  -2.219
  605   2HE2  GLN  79          HE22      GLN  79   2.076  -7.258  -0.559
  606    H    THR  80           HN       THR  80   2.448 -13.201  -2.559
  607    HA   THR  80           HA       THR  80   5.003 -13.101  -1.132
  608    HB   THR  80           HB       THR  80   3.946 -14.724   0.432
  609    HG1  THR  80           HG1      THR  80   2.250 -15.720  -0.347
  610   1HG2  THR  80          HG21      THR  80   2.379 -12.184  -0.041
  611   2HG2  THR  80          HG22      THR  80   3.856 -12.330   0.912
  612   3HG2  THR  80          HG23      THR  80   2.378 -13.128   1.449
  613    H    LYS  81           HN       LYS  81   3.243 -14.978  -3.451
  614    HA   LYS  81           HA       LYS  81   5.171 -17.180  -3.195
  615   1HB   LYS  81          HB2       LYS  81   3.615 -18.517  -4.497
  616   2HB   LYS  81          HB3       LYS  81   2.794 -17.808  -3.116
  617   1HG   LYS  81          HG2       LYS  81   1.898 -16.062  -4.608
  618   2HG   LYS  81          HG3       LYS  81   2.646 -16.887  -5.975
  619   1HD   LYS  81          HD2       LYS  81   1.321 -18.887  -5.492
  620   2HD   LYS  81          HD3       LYS  81   0.578 -18.064  -4.120
  621   1HE   LYS  81          HE2       LYS  81  -0.900 -18.021  -6.052
  622   2HE   LYS  81          HE3       LYS  81  -0.369 -16.393  -5.635
  623   1HZ   LYS  81          HZ1       LYS  81   0.793 -18.069  -7.794
  624   2HZ   LYS  81          HZ2       LYS  81   1.245 -16.484  -7.413
  625   3HZ   LYS  81          HZ3       LYS  81  -0.299 -16.798  -8.027
  626    H    LYS  82           HN       LYS  82   5.001 -14.383  -4.794
  627    HA   LYS  82           HA       LYS  82   5.558 -15.227  -7.476
  628   1HB   LYS  82          HB2       LYS  82   6.091 -12.886  -7.900
  629   2HB   LYS  82          HB3       LYS  82   4.573 -13.025  -7.025
  630   1HG   LYS  82          HG2       LYS  82   5.450 -12.119  -5.111
  631   2HG   LYS  82          HG3       LYS  82   7.095 -12.606  -5.517
  632   1HD   LYS  82          HD2       LYS  82   7.096 -10.284  -5.814
  633   2HD   LYS  82          HD3       LYS  82   6.925 -10.933  -7.445
  634   1HE   LYS  82          HE2       LYS  82   4.600 -10.071  -5.744
  635   2HE   LYS  82          HE3       LYS  82   5.419  -9.000  -6.876
  636   1HZ   LYS  82          HZ1       LYS  82   4.867 -10.587  -8.654
  637   2HZ   LYS  82          HZ2       LYS  82   3.492  -9.942  -7.912
  638   3HZ   LYS  82          HZ3       LYS  82   3.990 -11.515  -7.543
  639    H    GLN  83           HN       GLN  83   7.699 -14.007  -8.402
  640    HA   GLN  83           HA       GLN  83   9.870 -15.562  -7.465
  641   1HB   GLN  83          HB2       GLN  83  10.025 -13.095  -9.207
  642   2HB   GLN  83          HB3       GLN  83  11.199 -14.401  -9.109
  643   1HG   GLN  83          HG2       GLN  83   9.566 -15.944 -10.064
  644   2HG   GLN  83          HG3       GLN  83   8.388 -14.636 -10.161
  645   1HE2  GLN  83          HE21      GLN  83   9.514 -16.292 -12.275
  646   2HE2  GLN  83          HE22      GLN  83  10.249 -15.204 -13.398
  647    H    GLY  84           HN       GLY  84  10.293 -15.161  -5.314
  648   1HA   GLY  84          HA1       GLY  84  11.627 -14.110  -3.706
  649   2HA   GLY  84          HA2       GLY  84  11.742 -12.702  -4.756
  650    H    GLY  85           HN       GLY  85   9.538 -11.585  -5.099
  651   1HA   GLY  85          HA1       GLY  85   7.880 -10.312  -4.181
  652   2HA   GLY  85          HA2       GLY  85   7.439 -11.761  -3.295
  653    H    ILE  86           HN       ILE  86   6.785 -10.346  -1.605
  654    HA   ILE  86           HA       ILE  86   8.917  -8.950  -0.173
  655    HB   ILE  86           HB       ILE  86   7.115  -7.975   1.168
  656   1HG1  ILE  86          HG12      ILE  86   5.287  -9.618  -0.604
  657   2HG1  ILE  86          HG13      ILE  86   5.566  -9.896   1.111
  658   1HG2  ILE  86          HG21      ILE  86   6.010  -6.717  -0.688
  659   2HG2  ILE  86          HG22      ILE  86   7.767  -6.806  -0.819
  660   3HG2  ILE  86          HG23      ILE  86   6.755  -7.845  -1.823
  661   1HD1  ILE  86          HD11      ILE  86   4.015  -7.744  -0.235
  662   2HD1  ILE  86          HD12      ILE  86   3.576  -8.762   1.135
  663   3HD1  ILE  86          HD13      ILE  86   4.725  -7.442   1.349
  664    H    THR  87           HN       THR  87   8.612  -9.052   2.319
  665    HA   THR  87           HA       THR  87   9.037 -11.794   3.079
  666    HB   THR  87           HB       THR  87   9.494 -10.873   5.332
  667    HG1  THR  87           HG1      THR  87   9.360  -8.255   4.373
  668   1HG2  THR  87          HG21      THR  87  10.865  -9.410   3.073
  669   2HG2  THR  87          HG22      THR  87  11.304 -10.998   3.701
  670   3HG2  THR  87          HG23      THR  87  11.484  -9.567   4.717
  671    H    SER  88           HN       SER  88   8.095 -12.088   5.566
  672    HA   SER  88           HA       SER  88   5.278 -12.514   5.125
  673   1HB   SER  88          HB2       SER  88   6.623 -14.235   6.241
  674   2HB   SER  88          HB3       SER  88   7.009 -13.105   7.538
  675    HG   SER  88           HG       SER  88   4.471 -13.030   7.513
  676    H    ASP  89           HN       ASP  89   7.292 -10.339   6.979
  677    HA   ASP  89           HA       ASP  89   5.262  -9.344   8.692
  678   1HB   ASP  89          HB2       ASP  89   7.878  -8.115   7.801
  679   2HB   ASP  89          HB3       ASP  89   6.851  -7.455   9.071
  680    H    GLN  90           HN       GLN  90   6.303  -8.544   5.456
  681    HA   GLN  90           HA       GLN  90   4.938  -6.049   5.287
  682   1HB   GLN  90          HB2       GLN  90   6.149  -7.915   3.269
  683   2HB   GLN  90          HB3       GLN  90   5.222  -6.512   2.751
  684   1HG   GLN  90          HG2       GLN  90   6.751  -5.040   3.916
  685   2HG   GLN  90          HG3       GLN  90   7.645  -6.424   4.542
  686   1HE2  GLN  90          HE21      GLN  90   6.970  -4.455   1.767
  687   2HE2  GLN  90          HE22      GLN  90   8.248  -5.056   0.772
  688    H    ALA  91           HN       ALA  91   4.184  -9.312   4.075
  689    HA   ALA  91           HA       ALA  91   1.709  -8.664   2.916
  690   1HB   ALA  91          HB1       ALA  91   2.611 -11.311   4.045
  691   2HB   ALA  91          HB2       ALA  91   1.270 -11.062   2.926
  692   3HB   ALA  91          HB3       ALA  91   2.922 -10.724   2.411
  693    H    ALA  92           HN       ALA  92   2.619  -9.084   6.207
  694    HA   ALA  92           HA       ALA  92   0.112  -9.863   7.275
  695   1HB   ALA  92          HB1       ALA  92   2.234 -10.128   8.482
  696   2HB   ALA  92          HB2       ALA  92   2.347  -8.375   8.639
  697   3HB   ALA  92          HB3       ALA  92   1.033  -9.247   9.426
  698    H    VAL  93           HN       VAL  93   1.590  -6.695   6.719
  699    HA   VAL  93           HA       VAL  93  -0.718  -5.372   7.873
  700    HB   VAL  93           HB       VAL  93   1.930  -4.666   7.698
  701   1HG1  VAL  93          HG11      VAL  93   1.986  -2.573   6.409
  702   2HG1  VAL  93          HG12      VAL  93   1.764  -3.990   5.384
  703   3HG1  VAL  93          HG13      VAL  93   0.392  -2.947   5.760
  704   1HG2  VAL  93          HG21      VAL  93   1.151  -2.500   8.648
  705   2HG2  VAL  93          HG22      VAL  93  -0.500  -2.992   8.274
  706   3HG2  VAL  93          HG23      VAL  93   0.459  -3.926   9.420
  707    H    ILE  94           HN       ILE  94   0.623  -5.985   4.671
  708    HA   ILE  94           HA       ILE  94  -1.122  -4.186   3.305
  709    HB   ILE  94           HB       ILE  94   0.332  -6.569   2.149
  710   1HG1  ILE  94          HG12      ILE  94   1.221  -3.680   2.372
  711   2HG1  ILE  94          HG13      ILE  94   1.859  -5.014   3.327
  712   1HG2  ILE  94          HG21      ILE  94   0.185  -5.271   0.047
  713   2HG2  ILE  94          HG22      ILE  94  -1.395  -5.737   0.679
  714   3HG2  ILE  94          HG23      ILE  94  -0.817  -4.083   0.882
  715   1HD1  ILE  94          HD11      ILE  94   2.097  -4.658   0.349
  716   2HD1  ILE  94          HD12      ILE  94   3.379  -4.479   1.546
  717   3HD1  ILE  94          HD13      ILE  94   2.668  -6.064   1.248
  718    H    SER  95           HN       SER  95  -1.294  -7.612   4.124
  719    HA   SER  95           HA       SER  95  -3.508  -8.312   2.542
  720   1HB   SER  95          HB2       SER  95  -2.105  -9.983   3.685
  721   2HB   SER  95          HB3       SER  95  -2.711  -9.424   5.244
  722    HG   SER  95           HG       SER  95  -3.737 -11.324   3.938
  723    H    LYS  96           HN       LYS  96  -3.282  -6.260   5.181
  724    HA   LYS  96           HA       LYS  96  -5.980  -6.619   6.148
  725   1HB   LYS  96          HB2       LYS  96  -4.190  -4.330   6.896
  726   2HB   LYS  96          HB3       LYS  96  -5.389  -5.163   7.878
  727   1HG   LYS  96          HG2       LYS  96  -3.902  -7.174   7.813
  728   2HG   LYS  96          HG3       LYS  96  -2.692  -6.163   7.032
  729   1HD   LYS  96          HD2       LYS  96  -2.156  -6.206   9.332
  730   2HD   LYS  96          HD3       LYS  96  -2.847  -4.616   8.988
  731   1HE   LYS  96          HE2       LYS  96  -3.722  -5.523  11.080
  732   2HE   LYS  96          HE3       LYS  96  -4.999  -5.345   9.876
  733   1HZ   LYS  96          HZ1       LYS  96  -4.858  -7.699   9.409
  734   2HZ   LYS  96          HZ2       LYS  96  -5.142  -7.459  11.059
  735   3HZ   LYS  96          HZ3       LYS  96  -3.595  -7.883  10.520
  736    H    PHE  97           HN       PHE  97  -4.805  -5.313   3.452
  737    HA   PHE  97           HA       PHE  97  -5.682  -2.742   3.185
  738   1HB   PHE  97          HB2       PHE  97  -6.112  -3.398   0.714
  739   2HB   PHE  97          HB3       PHE  97  -4.483  -3.477   1.365
  740    HD1  PHE  97           HD1      PHE  97  -4.062  -4.940  -0.699
  741    HD2  PHE  97           HD2      PHE  97  -6.639  -6.089   2.487
  742    HE1  PHE  97           HE1      PHE  97  -3.930  -7.283  -1.433
  743    HE2  PHE  97           HE2      PHE  97  -6.502  -8.437   1.757
  744    HZ   PHE  97           HZ       PHE  97  -5.006  -8.992  -0.290
  745    H    TRP  98           HN       TRP  98  -7.806  -5.413   3.728
  746    HA   TRP  98           HA       TRP  98 -10.012  -3.597   3.039
  747   1HB   TRP  98          HB2       TRP  98 -11.403  -5.571   2.363
  748   2HB   TRP  98          HB3       TRP  98 -10.096  -5.157   1.268
  749    HD1  TRP  98           HD1      TRP  98  -8.686  -7.107   0.481
  750    HE1  TRP  98           HE1      TRP  98  -8.267  -9.526   1.242
  751    HE3  TRP  98           HE3      TRP  98 -11.394  -7.088   4.827
  752    HZ2  TRP  98           HZ2      TRP  98  -8.990 -11.207   3.381
  753    HZ3  TRP  98           HZ3      TRP  98 -11.483  -9.150   6.163
  754    HH2  TRP  98           HH2      TRP  98 -10.308 -11.167   5.452
  755    H    LYS  99           HN       LYS  99  -8.577  -5.039   5.563
  756    HA   LYS  99           HA       LYS  99 -11.146  -5.452   6.942
  757   1HB   LYS  99          HB2       LYS  99  -9.967  -6.891   8.523
  758   2HB   LYS  99          HB3       LYS  99  -9.791  -7.479   6.880
  759   1HG   LYS  99          HG2       LYS  99  -7.661  -7.735   7.663
  760   2HG   LYS  99          HG3       LYS  99  -7.558  -6.133   6.937
  761   1HD   LYS  99          HD2       LYS  99  -6.487  -6.248   9.158
  762   2HD   LYS  99          HD3       LYS  99  -7.815  -5.090   9.107
  763   1HE   LYS  99          HE2       LYS  99  -9.282  -6.676  10.186
  764   2HE   LYS  99          HE3       LYS  99  -8.022  -7.909  10.158
  765   1HZ   LYS  99          HZ1       LYS  99  -7.885  -5.340  11.644
  766   2HZ   LYS  99          HZ2       LYS  99  -6.688  -6.535  11.626
  767   3HZ   LYS  99          HZ3       LYS  99  -8.192  -6.857  12.328
  768    H    SER 100           HN       SER 100  -8.194  -3.676   6.879
  769    HA   SER 100           HA       SER 100  -8.455  -2.628   9.553
  770   1HB   SER 100          HB2       SER 100  -6.229  -2.879   8.568
  771   2HB   SER 100          HB3       SER 100  -6.666  -1.779   7.260
  772    HG   SER 100           HG       SER 100  -5.559  -1.096   9.472
  773    H    HIS 101           HN       HIS 101  -9.769  -1.932   6.499
  774    HA   HIS 101           HA       HIS 101 -10.721   0.678   7.480
  775   1HB   HIS 101          HB2       HIS 101  -9.980  -0.049   4.640
  776   2HB   HIS 101          HB3       HIS 101 -10.732   1.466   5.127
  777    HD1  HIS 101           HD1      HIS 101  -7.504  -0.044   4.567
  778    HD2  HIS 101           HD2      HIS 101  -8.996   2.981   6.994
  779    HE1  HIS 101           HE1      HIS 101  -5.502   1.305   5.267
  780    HE2  HIS 101           HE2      HIS 101  -6.440   3.183   6.660
  781    H    LYS 102           HN       LYS 102 -11.954  -1.964   7.695
  782    HA   LYS 102           HA       LYS 102 -14.491  -1.295   6.405
  783   1HB   LYS 102          HB2       LYS 102 -13.311  -2.917   4.931
  784   2HB   LYS 102          HB3       LYS 102 -13.273  -4.058   6.265
  785   1HG   LYS 102          HG2       LYS 102 -15.070  -4.680   4.854
  786   2HG   LYS 102          HG3       LYS 102 -15.770  -3.970   6.309
  787   1HD   LYS 102          HD2       LYS 102 -16.956  -3.134   4.390
  788   2HD   LYS 102          HD3       LYS 102 -16.003  -1.820   5.084
  789   1HE   LYS 102          HE2       LYS 102 -15.870  -1.852   2.634
  790   2HE   LYS 102          HE3       LYS 102 -14.297  -2.128   3.380
  791   1HZ   LYS 102          HZ1       LYS 102 -14.711  -3.629   1.520
  792   2HZ   LYS 102          HZ2       LYS 102 -16.074  -4.251   2.303
  793   3HZ   LYS 102          HZ3       LYS 102 -14.536  -4.483   2.969
  794    H    THR 103           HN       THR 103 -12.820  -3.535   8.603
  795    HA   THR 103           HA       THR 103 -15.118  -4.384   9.993
  796    HB   THR 103           HB       THR 103 -13.612  -5.232  11.696
  797    HG1  THR 103           HG1      THR 103 -11.939  -3.284  10.652
  798   1HG2  THR 103          HG21      THR 103 -12.420  -5.532   8.937
  799   2HG2  THR 103          HG22      THR 103 -13.755  -6.479   9.595
  800   3HG2  THR 103          HG23      THR 103 -12.147  -6.614  10.304
  801    H    LYS 104           HN       LYS 104 -16.374  -3.343  11.372
  802    HA   LYS 104           HA       LYS 104 -17.182  -1.805  12.831
  803   1HB   LYS 104          HB2       LYS 104 -14.294  -1.885  13.688
  804   2HB   LYS 104          HB3       LYS 104 -15.490  -0.901  14.518
  805   1HG   LYS 104          HG2       LYS 104 -15.300  -2.907  15.743
  806   2HG   LYS 104          HG3       LYS 104 -16.826  -3.005  14.863
  807   1HD   LYS 104          HD2       LYS 104 -15.723  -4.380  13.145
  808   2HD   LYS 104          HD3       LYS 104 -14.221  -4.307  14.068
  809   1HE   LYS 104          HE2       LYS 104 -15.396  -6.403  14.472
  810   2HE   LYS 104          HE3       LYS 104 -15.313  -5.432  15.940
  811   1HZ   LYS 104          HZ1       LYS 104 -17.583  -4.725  15.577
  812   2HZ   LYS 104          HZ2       LYS 104 -17.506  -6.415  15.613
  813   3HZ   LYS 104          HZ3       LYS 104 -17.665  -5.609  14.135
  814    H    ILE 105           HN       ILE 105 -16.109  -0.958  10.185
  815    HA   ILE 105           HA       ILE 105 -15.964   1.917  10.776
  816    HB   ILE 105           HB       ILE 105 -14.290   0.526   8.681
  817   1HG1  ILE 105          HG12      ILE 105 -13.358   1.990  11.147
  818   2HG1  ILE 105          HG13      ILE 105 -13.609   0.247  11.123
  819   1HG2  ILE 105          HG21      ILE 105 -15.001   2.750   7.990
  820   2HG2  ILE 105          HG22      ILE 105 -14.438   3.415   9.524
  821   3HG2  ILE 105          HG23      ILE 105 -13.280   2.747   8.375
  822   1HD1  ILE 105          HD11      ILE 105 -11.704   1.765   9.360
  823   2HD1  ILE 105          HD12      ILE 105 -11.270   0.847  10.801
  824   3HD1  ILE 105          HD13      ILE 105 -11.928   0.016   9.392
  825    H    ARG 106           HN       ARG 106 -17.190  -0.678   8.910
  826    HA   ARG 106           HA       ARG 106 -17.993   0.477   6.543
  827   1HB   ARG 106          HB2       ARG 106 -18.302  -1.895   7.028
  828   2HB   ARG 106          HB3       ARG 106 -19.514  -1.509   8.241
  829   1HG   ARG 106          HG2       ARG 106 -20.931  -0.539   6.469
  830   2HG   ARG 106          HG3       ARG 106 -19.730  -1.036   5.276
  831   1HD   ARG 106          HD2       ARG 106 -20.050  -3.365   5.900
  832   2HD   ARG 106          HD3       ARG 106 -21.206  -2.890   7.143
  833    HE   ARG 106           HE       ARG 106 -21.914  -1.997   4.505
  834   1HH1  ARG 106          HH12      ARG 106 -22.098  -4.631   6.782
  835   2HH1  ARG 106          HH11      ARG 106 -23.514  -5.322   6.064
  836   1HH2  ARG 106          HH22      ARG 106 -23.774  -2.905   3.550
  837   2HH2  ARG 106          HH21      ARG 106 -24.467  -4.340   4.227
  838    H    GLU 107           HN       GLU 107 -20.136   0.144   9.382
  839    HA   GLU 107           HA       GLU 107 -21.876   2.215   8.379
  840   1HB   GLU 107          HB2       GLU 107 -21.917   0.695  10.994
  841   2HB   GLU 107          HB3       GLU 107 -23.182   1.781  10.436
  842   1HG   GLU 107          HG2       GLU 107 -22.323  -0.771   9.094
  843   2HG   GLU 107          HG3       GLU 107 -23.780  -0.539  10.058
  844    H    SER 108           HN       SER 108 -21.881   4.311   8.922
  845    HA   SER 108           HA       SER 108 -19.992   5.187  11.001
  846   1HB   SER 108          HB2       SER 108 -19.474   6.059   8.777
  847   2HB   SER 108          HB3       SER 108 -21.107   6.712   8.632
  848    HG   SER 108           HG       SER 108 -18.932   7.750   9.889
  Start of MODEL    6
    1   1H    MET   1          H1        MET   1  10.968  -1.219  16.110
    2   2H    MET   1          H2        MET   1  10.803  -2.277  14.801
    3   3H    MET   1          H3        MET   1  12.187  -1.315  14.940
    4    HA   MET   1           HA       MET   1  12.854  -2.473  16.926
    5   1HB   MET   1          HB2       MET   1  10.563  -3.016  17.688
    6   2HB   MET   1          HB3       MET   1  10.426  -4.198  16.393
    7   1HG   MET   1          HG2       MET   1  10.921  -5.312  18.461
    8   2HG   MET   1          HG3       MET   1  12.295  -5.456  17.367
    9   1HE   MET   1          HE1       MET   1  14.017  -5.290  20.878
   10   2HE   MET   1          HE2       MET   1  12.457  -6.035  20.536
   11   3HE   MET   1          HE3       MET   1  13.794  -6.227  19.402
   12    H    ALA   2           HN       ALA   2  11.522  -3.642  13.903
   13    HA   ALA   2           HA       ALA   2  13.673  -5.625  13.683
   14   1HB   ALA   2          HB1       ALA   2  12.404  -6.549  11.818
   15   2HB   ALA   2          HB2       ALA   2  11.400  -6.423  13.263
   16   3HB   ALA   2          HB3       ALA   2  11.225  -5.245  11.962
   17    H    ALA   3           HN       ALA   3  12.049  -3.302  11.512
   18    HA   ALA   3           HA       ALA   3  12.821  -2.000   9.815
   19   1HB   ALA   3          HB1       ALA   3  15.387  -2.033  11.401
   20   2HB   ALA   3          HB2       ALA   3  14.947  -0.871  10.150
   21   3HB   ALA   3          HB3       ALA   3  14.034  -0.930  11.658
   22    H    GLY   4           HN       GLY   4  13.212  -4.979   9.738
   23   1HA   GLY   4          HA1       GLY   4  15.619  -5.646   8.462
   24   2HA   GLY   4          HA2       GLY   4  14.107  -6.528   8.300
   25    H    GLU   5           HN       GLU   5  12.648  -5.940   6.620
   26    HA   GLU   5           HA       GLU   5  13.934  -5.292   4.183
   27   1HB   GLU   5          HB2       GLU   5  10.992  -5.470   4.849
   28   2HB   GLU   5          HB3       GLU   5  11.646  -5.359   3.222
   29   1HG   GLU   5          HG2       GLU   5  12.186  -7.589   5.172
   30   2HG   GLU   5          HG3       GLU   5  11.041  -7.649   3.832
   31    H    LEU   6           HN       LEU   6  11.107  -3.612   5.553
   32    HA   LEU   6           HA       LEU   6  12.405  -1.042   5.072
   33   1HB   LEU   6          HB2       LEU   6  11.223  -1.555   2.991
   34   2HB   LEU   6          HB3       LEU   6   9.737  -1.804   3.883
   35    HG   LEU   6           HG       LEU   6   9.729   0.572   4.530
   36   1HD1  LEU   6          HD11      LEU   6  12.170   0.750   2.772
   37   2HD1  LEU   6          HD12      LEU   6  11.285   2.124   3.435
   38   3HD1  LEU   6          HD13      LEU   6  12.111   1.003   4.516
   39   1HD2  LEU   6          HD21      LEU   6  10.006   0.156   1.554
   40   2HD2  LEU   6          HD22      LEU   6   8.557  -0.182   2.504
   41   3HD2  LEU   6          HD23      LEU   6   9.149   1.473   2.355
   42    H    GLU   7           HN       GLU   7  12.414  -0.744   7.311
   43    HA   GLU   7           HA       GLU   7  11.610  -0.116   9.351
   44   1HB   GLU   7          HB2       GLU   7   9.274   0.849   7.698
   45   2HB   GLU   7          HB3       GLU   7   9.663   1.375   9.327
   46   1HG   GLU   7          HG2       GLU   7  11.413   1.790   6.919
   47   2HG   GLU   7          HG3       GLU   7  10.303   2.988   7.591
   48    H    GLY   8           HN       GLY   8   8.966   0.021  10.352
   49   1HA   GLY   8          HA1       GLY   8   8.478  -2.801  10.783
   50   2HA   GLY   8          HA2       GLY   8   7.701  -1.465  11.619
   51    H    GLY   9           HN       GLY   9   5.663  -2.458  11.392
   52   1HA   GLY   9          HA1       GLY   9   4.636  -3.010   8.740
   53   2HA   GLY   9          HA2       GLY   9   3.776  -3.211  10.257
   54    H    LYS  10           HN       LYS  10   4.410  -0.427  11.087
   55    HA   LYS  10           HA       LYS  10   2.085   0.840  10.355
   56   1HB   LYS  10          HB2       LYS  10   3.312   1.659  12.223
   57   2HB   LYS  10          HB3       LYS  10   4.724   2.003  11.234
   58   1HG   LYS  10          HG2       LYS  10   3.588   4.054  11.814
   59   2HG   LYS  10          HG3       LYS  10   3.466   3.769  10.075
   60   1HD   LYS  10          HD2       LYS  10   1.202   2.899  10.374
   61   2HD   LYS  10          HD3       LYS  10   1.327   3.150  12.116
   62   1HE   LYS  10          HE2       LYS  10   1.543   5.542  11.784
   63   2HE   LYS  10          HE3       LYS  10   1.520   5.325  10.035
   64   1HZ   LYS  10          HZ1       LYS  10  -0.636   6.021  10.886
   65   2HZ   LYS  10          HZ2       LYS  10  -0.711   4.654  11.879
   66   3HZ   LYS  10          HZ3       LYS  10  -0.731   4.479  10.197
   67    HA   PRO  11           HA       PRO  11   4.461   3.274   6.876
   68   1HB   PRO  11          HB2       PRO  11   6.624   1.991   5.814
   69   2HB   PRO  11          HB3       PRO  11   6.750   3.199   7.102
   70   1HG   PRO  11          HG2       PRO  11   6.745   0.213   7.300
   71   2HG   PRO  11          HG3       PRO  11   7.764   1.394   8.139
   72   1HD   PRO  11          HD2       PRO  11   5.669   0.244   9.346
   73   2HD   PRO  11          HD3       PRO  11   6.123   1.929   9.670
   74    H    LEU  12           HN       LEU  12   5.170  -0.198   6.443
   75    HA   LEU  12           HA       LEU  12   4.488  -0.426   3.790
   76   1HB   LEU  12          HB2       LEU  12   5.508  -2.158   5.380
   77   2HB   LEU  12          HB3       LEU  12   3.855  -2.586   5.779
   78    HG   LEU  12           HG       LEU  12   3.478  -3.016   3.320
   79   1HD1  LEU  12          HD11      LEU  12   5.341  -1.722   2.446
   80   2HD1  LEU  12          HD12      LEU  12   6.485  -2.795   3.254
   81   3HD1  LEU  12          HD13      LEU  12   5.472  -3.409   1.949
   82   1HD2  LEU  12          HD21      LEU  12   5.547  -4.676   4.755
   83   2HD2  LEU  12          HD22      LEU  12   3.796  -4.834   4.896
   84   3HD2  LEU  12          HD23      LEU  12   4.595  -5.203   3.367
   85    H    SER  13           HN       SER  13   2.338  -0.257   6.555
   86    HA   SER  13           HA       SER  13   0.028  -1.097   5.047
   87   1HB   SER  13          HB2       SER  13  -1.254  -0.556   7.051
   88   2HB   SER  13          HB3       SER  13   0.174  -1.501   7.479
   89    HG   SER  13           HG       SER  13  -0.253   0.387   8.821
   90    H    GLY  14           HN       GLY  14   1.199   1.984   6.388
   91   1HA   GLY  14          HA1       GLY  14  -0.880   3.484   5.063
   92   2HA   GLY  14          HA2       GLY  14   0.478   4.150   5.964
   93    H    LEU  15           HN       LEU  15   1.662   1.915   3.875
   94    HA   LEU  15           HA       LEU  15   2.971   3.793   2.209
   95   1HB   LEU  15          HB2       LEU  15   3.152   1.063   2.811
   96   2HB   LEU  15          HB3       LEU  15   2.830   1.127   1.093
   97    HG   LEU  15           HG       LEU  15   5.198   1.014   1.412
   98   1HD1  LEU  15          HD11      LEU  15   4.481   2.413  -0.417
   99   2HD1  LEU  15          HD12      LEU  15   4.355   3.805   0.657
  100   3HD1  LEU  15          HD13      LEU  15   5.932   3.090   0.322
  101   1HD2  LEU  15          HD21      LEU  15   6.404   2.818   2.640
  102   2HD2  LEU  15          HD22      LEU  15   4.846   3.377   3.247
  103   3HD2  LEU  15          HD23      LEU  15   5.430   1.767   3.669
  104    H    LEU  16           HN       LEU  16   0.473   1.366   1.545
  105    HA   LEU  16           HA       LEU  16  -0.030   2.113  -1.119
  106   1HB   LEU  16          HB2       LEU  16  -2.114   0.946   0.714
  107   2HB   LEU  16          HB3       LEU  16  -1.927   0.709  -1.007
  108    HG   LEU  16           HG       LEU  16   0.183  -0.266   0.829
  109   1HD1  LEU  16          HD11      LEU  16  -2.399  -1.669   0.208
  110   2HD1  LEU  16          HD12      LEU  16  -0.981  -2.440   0.918
  111   3HD1  LEU  16          HD13      LEU  16  -1.822  -1.165   1.798
  112   1HD2  LEU  16          HD21      LEU  16  -0.841  -1.170  -1.845
  113   2HD2  LEU  16          HD22      LEU  16   0.647  -0.274  -1.544
  114   3HD2  LEU  16          HD23      LEU  16   0.477  -1.926  -0.950
  115    H    ASN  17           HN       ASN  17  -0.853   3.514   1.870
  116    HA   ASN  17           HA       ASN  17  -3.147   5.002   1.003
  117   1HB   ASN  17          HB2       ASN  17  -3.027   4.499   3.323
  118   2HB   ASN  17          HB3       ASN  17  -1.376   5.107   3.444
  119   1HD2  ASN  17          HD21      ASN  17  -1.027   7.324   3.547
  120   2HD2  ASN  17          HD22      ASN  17  -2.297   8.445   3.887
  121    H    ALA  18           HN       ALA  18   0.157   5.960   1.941
  122    HA   ALA  18           HA       ALA  18  -0.002   8.630   1.113
  123   1HB   ALA  18          HB1       ALA  18   1.744   7.890   2.582
  124   2HB   ALA  18          HB2       ALA  18   2.386   6.811   1.343
  125   3HB   ALA  18          HB3       ALA  18   2.468   8.556   1.120
  126    H    LEU  19           HN       LEU  19   0.813   5.695  -0.632
  127    HA   LEU  19           HA       LEU  19   1.912   6.859  -2.941
  128   1HB   LEU  19          HB2       LEU  19   0.507   4.231  -2.504
  129   2HB   LEU  19          HB3       LEU  19   1.270   4.674  -4.020
  130    HG   LEU  19           HG       LEU  19   2.821   4.656  -1.449
  131   1HD1  LEU  19          HD11      LEU  19   1.828   2.452  -1.653
  132   2HD1  LEU  19          HD12      LEU  19   2.372   2.342  -3.328
  133   3HD1  LEU  19          HD13      LEU  19   3.553   2.383  -2.018
  134   1HD2  LEU  19          HD21      LEU  19   4.711   4.345  -2.961
  135   2HD2  LEU  19          HD22      LEU  19   3.611   4.343  -4.342
  136   3HD2  LEU  19          HD23      LEU  19   3.803   5.803  -3.370
  137    H    ALA  20           HN       ALA  20  -1.223   7.066  -1.789
  138    HA   ALA  20           HA       ALA  20  -2.653   6.941  -4.256
  139   1HB   ALA  20          HB1       ALA  20  -3.756   6.597  -2.095
  140   2HB   ALA  20          HB2       ALA  20  -3.435   8.278  -1.665
  141   3HB   ALA  20          HB3       ALA  20  -4.512   7.901  -3.010
  142    H    GLN  21           HN       GLN  21  -1.157   8.269  -5.515
  143    HA   GLN  21           HA       GLN  21  -1.072  11.107  -4.962
  144   1HB   GLN  21          HB2       GLN  21  -0.071   9.649  -7.409
  145   2HB   GLN  21          HB3       GLN  21   0.392  11.257  -6.866
  146   1HG   GLN  21          HG2       GLN  21   1.437  10.287  -4.883
  147   2HG   GLN  21          HG3       GLN  21   0.973   8.676  -5.428
  148   1HE2  GLN  21          HE21      GLN  21   3.097  11.368  -5.907
  149   2HE2  GLN  21          HE22      GLN  21   4.196  10.578  -6.980
  150    H    ASP  22           HN       ASP  22  -2.657  12.423  -5.517
  151    HA   ASP  22           HA       ASP  22  -4.428  13.355  -6.592
  152   1HB   ASP  22          HB2       ASP  22  -3.196  11.975  -8.986
  153   2HB   ASP  22          HB3       ASP  22  -4.452  13.207  -9.067
  154    H    THR  23           HN       THR  23  -5.910  12.059  -5.398
  155    HA   THR  23           HA       THR  23  -6.908   9.623  -6.626
  156    HB   THR  23           HB       THR  23  -8.398   9.477  -4.671
  157    HG1  THR  23           HG1      THR  23  -8.091  11.076  -2.999
  158   1HG2  THR  23          HG21      THR  23  -5.514  10.063  -3.990
  159   2HG2  THR  23          HG22      THR  23  -6.178   8.508  -4.494
  160   3HG2  THR  23          HG23      THR  23  -6.651   9.211  -2.947
  161    H    PHE  24           HN       PHE  24  -8.051  12.890  -5.891
  162    HA   PHE  24           HA       PHE  24  -9.727  14.156  -6.753
  163   1HB   PHE  24          HB2       PHE  24  -8.785  13.308  -8.935
  164   2HB   PHE  24          HB3       PHE  24 -10.015  12.050  -8.902
  165    HD1  PHE  24           HD1      PHE  24 -12.069  12.437  -9.881
  166    HD2  PHE  24           HD2      PHE  24  -9.641  15.754  -8.777
  167    HE1  PHE  24           HE1      PHE  24 -13.662  13.961 -10.971
  168    HE2  PHE  24           HE2      PHE  24 -11.231  17.284  -9.864
  169    HZ   PHE  24           HZ       PHE  24 -13.245  16.388 -10.963
  170    H    HIS  25           HN       HIS  25 -10.130  11.237  -5.391
  171    HA   HIS  25           HA       HIS  25 -13.022  11.616  -5.156
  172   1HB   HIS  25          HB2       HIS  25 -11.697   8.959  -5.741
  173   2HB   HIS  25          HB3       HIS  25 -13.395   9.173  -5.333
  174    HD1  HIS  25           HD1      HIS  25 -11.046   9.236  -8.148
  175    HD2  HIS  25           HD2      HIS  25 -14.902  10.575  -7.368
  176    HE1  HIS  25           HE1      HIS  25 -12.055   9.728 -10.398
  177    HE2  HIS  25           HE2      HIS  25 -14.353  10.630  -9.895
  178    H    GLY  26           HN       GLY  26 -10.025  11.075  -3.764
  179   1HA   GLY  26          HA1       GLY  26 -11.263  10.151  -1.244
  180   2HA   GLY  26          HA2       GLY  26  -9.604   9.797  -1.705
  181    H    TYR  27           HN       TYR  27  -8.044  11.105  -0.985
  182    HA   TYR  27           HA       TYR  27  -8.860  13.523   0.449
  183   1HB   TYR  27          HB2       TYR  27  -6.274  11.955   0.503
  184   2HB   TYR  27          HB3       TYR  27  -6.575  13.417   1.437
  185    HD1  TYR  27           HD1      TYR  27  -8.400  13.386   3.182
  186    HD2  TYR  27           HD2      TYR  27  -7.009   9.852   1.268
  187    HE1  TYR  27           HE1      TYR  27  -9.374  12.031   4.989
  188    HE2  TYR  27           HE2      TYR  27  -7.977   8.486   3.067
  189    HH   TYR  27           HH       TYR  27 -10.167   9.718   5.337
  190    HA   PRO  28           HA       PRO  28  -7.209  15.662  -3.203
  191   1HB   PRO  28          HB2       PRO  28  -8.236  18.091  -2.595
  192   2HB   PRO  28          HB3       PRO  28  -9.209  16.801  -3.314
  193   1HG   PRO  28          HG2       PRO  28  -9.009  17.646  -0.446
  194   2HG   PRO  28          HG3       PRO  28 -10.453  17.248  -1.394
  195   1HD   PRO  28          HD2       PRO  28  -9.308  15.493   0.318
  196   2HD   PRO  28          HD3       PRO  28 -10.129  14.976  -1.169
  197    H    GLY  29           HN       GLY  29  -6.378  15.758   0.004
  198   1HA   GLY  29          HA1       GLY  29  -4.627  18.087  -0.186
  199   2HA   GLY  29          HA2       GLY  29  -4.915  17.117   1.249
  200    H    ILE  30           HN       ILE  30  -4.443  14.731  -0.731
  201    HA   ILE  30           HA       ILE  30  -1.784  14.236   0.069
  202    HB   ILE  30           HB       ILE  30  -3.467  12.474  -0.469
  203   1HG1  ILE  30          HG12      ILE  30  -1.812  10.991  -1.720
  204   2HG1  ILE  30          HG13      ILE  30  -0.765  12.401  -1.811
  205   1HG2  ILE  30          HG21      ILE  30  -2.802  13.085  -3.342
  206   2HG2  ILE  30          HG22      ILE  30  -3.884  11.826  -2.745
  207   3HG2  ILE  30          HG23      ILE  30  -4.310  13.526  -2.542
  208   1HD1  ILE  30          HD11      ILE  30  -0.456  10.666   0.095
  209   2HD1  ILE  30          HD12      ILE  30  -0.338  12.392   0.449
  210   3HD1  ILE  30          HD13      ILE  30  -1.816  11.513   0.832
  211    H    THR  31           HN       THR  31   0.143  14.526  -0.928
  212    HA   THR  31           HA       THR  31   0.149  15.679  -3.638
  213    HB   THR  31           HB       THR  31   1.981  16.588  -1.410
  214    HG1  THR  31           HG1      THR  31  -0.111  17.305  -0.948
  215   1HG2  THR  31          HG21      THR  31   1.451  17.652  -4.186
  216   2HG2  THR  31          HG22      THR  31   2.940  16.906  -3.606
  217   3HG2  THR  31          HG23      THR  31   2.429  18.468  -2.968
  218    H    GLU  32           HN       GLU  32   2.177  15.382  -4.803
  219    HA   GLU  32           HA       GLU  32   3.123  12.765  -4.664
  220   1HB   GLU  32          HB2       GLU  32   3.236  14.040  -6.721
  221   2HB   GLU  32          HB3       GLU  32   4.343  15.193  -5.988
  222   1HG   GLU  32          HG2       GLU  32   5.996  13.357  -5.733
  223   2HG   GLU  32          HG3       GLU  32   4.895  12.305  -6.622
  224    H    GLU  33           HN       GLU  33   4.721  15.775  -3.598
  225    HA   GLU  33           HA       GLU  33   6.977  14.355  -2.539
  226   1HB   GLU  33          HB2       GLU  33   6.047  17.206  -2.153
  227   2HB   GLU  33          HB3       GLU  33   7.558  16.567  -1.520
  228   1HG   GLU  33          HG2       GLU  33   8.262  16.047  -3.829
  229   2HG   GLU  33          HG3       GLU  33   6.781  16.801  -4.418
  230    H    LEU  34           HN       LEU  34   3.838  14.792  -1.538
  231    HA   LEU  34           HA       LEU  34   4.331  14.856   1.309
  232   1HB   LEU  34          HB2       LEU  34   2.401  15.992   0.262
  233   2HB   LEU  34          HB3       LEU  34   1.767  14.426  -0.210
  234    HG   LEU  34           HG       LEU  34   1.732  13.846   2.262
  235   1HD1  LEU  34          HD11      LEU  34   2.088  16.830   2.496
  236   2HD1  LEU  34          HD12      LEU  34   1.634  15.742   3.808
  237   3HD1  LEU  34          HD13      LEU  34   3.222  15.598   3.053
  238   1HD2  LEU  34          HD21      LEU  34  -0.004  15.994   1.086
  239   2HD2  LEU  34          HD22      LEU  34  -0.291  14.255   1.105
  240   3HD2  LEU  34          HD23      LEU  34  -0.365  15.176   2.607
  241    H    LEU  35           HN       LEU  35   3.561  12.480  -1.155
  242    HA   LEU  35           HA       LEU  35   2.585  10.409   0.352
  243   1HB   LEU  35          HB2       LEU  35   2.972   9.078  -1.468
  244   2HB   LEU  35          HB3       LEU  35   2.977  10.663  -2.194
  245    HG   LEU  35           HG       LEU  35   5.597  10.437  -1.794
  246   1HD1  LEU  35          HD11      LEU  35   5.312   8.217  -0.693
  247   2HD1  LEU  35          HD12      LEU  35   4.742   7.584  -2.236
  248   3HD1  LEU  35          HD13      LEU  35   6.388   8.201  -2.091
  249   1HD2  LEU  35          HD21      LEU  35   4.394  10.799  -3.935
  250   2HD2  LEU  35          HD22      LEU  35   5.796   9.741  -4.089
  251   3HD2  LEU  35          HD23      LEU  35   4.172   9.055  -4.063
  252    H    ARG  36           HN       ARG  36   5.946  11.426  -0.024
  253    HA   ARG  36           HA       ARG  36   6.953   9.172   1.470
  254   1HB   ARG  36          HB2       ARG  36   8.694   9.787   0.189
  255   2HB   ARG  36          HB3       ARG  36   8.086  11.415  -0.034
  256   1HG   ARG  36          HG2       ARG  36   8.945  11.864   2.336
  257   2HG   ARG  36          HG3       ARG  36   9.820  10.340   2.166
  258   1HD   ARG  36          HD2       ARG  36  11.017  11.181   0.266
  259   2HD   ARG  36          HD3       ARG  36  10.028  12.640   0.229
  260    HE   ARG  36           HE       ARG  36  11.813  12.030   2.492
  261   1HH1  ARG  36          HH12      ARG  36  10.634  14.185   0.020
  262   2HH1  ARG  36          HH11      ARG  36  11.562  15.537   0.575
  263   1HH2  ARG  36          HH22      ARG  36  13.040  13.807   3.230
  264   2HH2  ARG  36          HH21      ARG  36  12.930  15.324   2.400
  265    H    SER  37           HN       SER  37   6.870  12.671   2.018
  266    HA   SER  37           HA       SER  37   7.749  12.701   4.638
  267   1HB   SER  37          HB2       SER  37   5.785  14.573   3.299
  268   2HB   SER  37          HB3       SER  37   6.632  14.905   4.810
  269    HG   SER  37           HG       SER  37   7.517  15.098   2.242
  270    H    GLN  38           HN       GLN  38   4.733  11.606   3.414
  271    HA   GLN  38           HA       GLN  38   3.044  12.102   5.588
  272   1HB   GLN  38          HB2       GLN  38   3.040  10.280   3.267
  273   2HB   GLN  38          HB3       GLN  38   2.051   9.774   4.629
  274   1HG   GLN  38          HG2       GLN  38   1.862  12.437   3.243
  275   2HG   GLN  38          HG3       GLN  38   0.792  11.063   2.966
  276   1HE2  GLN  38          HE21      GLN  38   0.162  13.742   3.914
  277   2HE2  GLN  38          HE22      GLN  38  -0.599  13.544   5.452
  278    H    LEU  39           HN       LEU  39   4.839   9.090   4.838
  279    HA   LEU  39           HA       LEU  39   4.822   8.531   7.725
  280   1HB   LEU  39          HB2       LEU  39   4.415   6.401   5.639
  281   2HB   LEU  39          HB3       LEU  39   4.262   6.245   7.378
  282    HG   LEU  39           HG       LEU  39   2.399   8.169   6.851
  283   1HD1  LEU  39          HD11      LEU  39   2.730   7.921   4.426
  284   2HD1  LEU  39          HD12      LEU  39   2.298   6.215   4.556
  285   3HD1  LEU  39          HD13      LEU  39   1.103   7.459   4.926
  286   1HD2  LEU  39          HD21      LEU  39   0.753   6.314   7.067
  287   2HD2  LEU  39          HD22      LEU  39   2.093   5.174   6.933
  288   3HD2  LEU  39          HD23      LEU  39   2.022   6.296   8.293
  289    H    TYR  40           HN       TYR  40   6.408   8.026   4.613
  290    HA   TYR  40           HA       TYR  40   8.770   7.030   6.065
  291   1HB   TYR  40          HB2       TYR  40   9.387   6.317   3.575
  292   2HB   TYR  40          HB3       TYR  40   8.416   5.303   4.627
  293    HD1  TYR  40           HD1      TYR  40   5.836   5.618   4.451
  294    HD2  TYR  40           HD2      TYR  40   8.596   6.866   1.463
  295    HE1  TYR  40           HE1      TYR  40   4.026   5.628   2.791
  296    HE2  TYR  40           HE2      TYR  40   6.792   6.874  -0.208
  297    HH   TYR  40           HH       TYR  40   3.517   6.698   0.626
  298    HA   PRO  41           HA       PRO  41  10.213  11.105   4.565
  299   1HB   PRO  41          HB2       PRO  41  11.941  11.559   6.577
  300   2HB   PRO  41          HB3       PRO  41  10.203  11.827   6.764
  301   1HG   PRO  41          HG2       PRO  41  11.855   9.476   7.618
  302   2HG   PRO  41          HG3       PRO  41  10.610  10.352   8.528
  303   1HD   PRO  41          HD2       PRO  41  10.115   8.008   7.256
  304   2HD   PRO  41          HD3       PRO  41   8.883   9.271   7.447
  305    H    GLU  42           HN       GLU  42  11.841   8.147   5.367
  306    HA   GLU  42           HA       GLU  42  14.434   8.922   4.468
  307   1HB   GLU  42          HB2       GLU  42  14.943   6.502   4.550
  308   2HB   GLU  42          HB3       GLU  42  14.218   7.099   6.035
  309   1HG   GLU  42          HG2       GLU  42  12.053   6.187   5.327
  310   2HG   GLU  42          HG3       GLU  42  12.814   5.554   3.867
  311    H    VAL  43           HN       VAL  43  11.799   7.029   3.001
  312    HA   VAL  43           HA       VAL  43  13.132   6.607   0.533
  313    HB   VAL  43           HB       VAL  43  10.366   6.217   1.546
  314   1HG1  VAL  43          HG11      VAL  43  11.017   6.433  -1.388
  315   2HG1  VAL  43          HG12      VAL  43   9.592   5.606  -0.757
  316   3HG1  VAL  43          HG13      VAL  43   9.799   7.336  -0.484
  317   1HG2  VAL  43          HG21      VAL  43  11.929   4.408   1.706
  318   2HG2  VAL  43          HG22      VAL  43  10.723   3.999   0.484
  319   3HG2  VAL  43          HG23      VAL  43  12.328   4.542  -0.009
  320    HA   PRO  44           HA       PRO  44  12.656  10.911  -0.814
  321   1HB   PRO  44          HB2       PRO  44  13.735   9.768  -3.329
  322   2HB   PRO  44          HB3       PRO  44  14.305  11.148  -2.385
  323   1HG   PRO  44          HG2       PRO  44  15.642   8.837  -2.391
  324   2HG   PRO  44          HG3       PRO  44  15.508   9.820  -0.921
  325   1HD   PRO  44          HD2       PRO  44  14.033   7.329  -1.677
  326   2HD   PRO  44          HD3       PRO  44  14.666   7.831  -0.096
  327    HA   PRO  45           HA       PRO  45   8.907  10.610  -3.160
  328   1HB   PRO  45          HB2       PRO  45   9.565  13.149  -4.490
  329   2HB   PRO  45          HB3       PRO  45   8.259  12.783  -3.362
  330   1HG   PRO  45          HG2       PRO  45  10.328  14.324  -2.640
  331   2HG   PRO  45          HG3       PRO  45   9.572  13.196  -1.495
  332   1HD   PRO  45          HD2       PRO  45  12.089  12.856  -3.101
  333   2HD   PRO  45          HD3       PRO  45  11.801  12.508  -1.381
  334    H    GLU  46           HN       GLU  46  11.637   9.785  -4.399
  335    HA   GLU  46           HA       GLU  46  10.591   9.469  -7.108
  336   1HB   GLU  46          HB2       GLU  46  12.104  11.378  -7.243
  337   2HB   GLU  46          HB3       GLU  46  13.376  10.453  -6.457
  338   1HG   GLU  46          HG2       GLU  46  13.387   8.898  -8.368
  339   2HG   GLU  46          HG3       GLU  46  12.173   9.902  -9.161
  340    H    GLU  47           HN       GLU  47  12.900   8.512  -4.623
  341    HA   GLU  47           HA       GLU  47  13.628   6.081  -6.004
  342   1HB   GLU  47          HB2       GLU  47  14.433   7.431  -3.486
  343   2HB   GLU  47          HB3       GLU  47  14.651   5.688  -3.566
  344   1HG   GLU  47          HG2       GLU  47  15.983   5.971  -5.611
  345   2HG   GLU  47          HG3       GLU  47  15.793   7.718  -5.476
  346    H    PHE  48           HN       PHE  48  10.821   6.793  -4.794
  347    HA   PHE  48           HA       PHE  48  10.397   4.632  -2.942
  348   1HB   PHE  48          HB2       PHE  48   8.071   5.308  -2.957
  349   2HB   PHE  48          HB3       PHE  48   9.094   6.733  -2.819
  350    HD1  PHE  48           HD1      PHE  48   9.527   8.097  -4.906
  351    HD2  PHE  48           HD2      PHE  48   6.492   5.125  -4.671
  352    HE1  PHE  48           HE1      PHE  48   8.398   9.104  -6.845
  353    HE2  PHE  48           HE2      PHE  48   5.357   6.125  -6.612
  354    HZ   PHE  48           HZ       PHE  48   6.284   8.112  -7.688
  355    H    ARG  49           HN       ARG  49  10.276   5.068  -6.350
  356    HA   ARG  49           HA       ARG  49   8.426   3.112  -7.082
  357   1HB   ARG  49          HB2       ARG  49   9.706   4.915  -8.493
  358   2HB   ARG  49          HB3       ARG  49  10.845   3.602  -8.767
  359   1HG   ARG  49          HG2       ARG  49   9.300   3.638 -10.579
  360   2HG   ARG  49          HG3       ARG  49   8.950   2.218  -9.594
  361   1HD   ARG  49          HD2       ARG  49   6.850   3.152 -10.077
  362   2HD   ARG  49          HD3       ARG  49   7.204   3.653  -8.423
  363    HE   ARG  49           HE       ARG  49   8.073   5.606 -10.293
  364   1HH1  ARG  49          HH12      ARG  49   5.229   4.343  -8.721
  365   2HH1  ARG  49          HH11      ARG  49   4.334   5.817  -8.874
  366   1HH2  ARG  49          HH22      ARG  49   6.899   7.550 -10.498
  367   2HH2  ARG  49          HH21      ARG  49   5.282   7.638  -9.885
  368    HA   PRO  50           HA       PRO  50  12.264   0.046  -7.481
  369   1HB   PRO  50          HB2       PRO  50  14.016   0.489  -5.351
  370   2HB   PRO  50          HB3       PRO  50  14.330   0.864  -7.046
  371   1HG   PRO  50          HG2       PRO  50  13.428   2.650  -4.843
  372   2HG   PRO  50          HG3       PRO  50  14.505   3.000  -6.207
  373   1HD   PRO  50          HD2       PRO  50  11.967   3.864  -6.165
  374   2HD   PRO  50          HD3       PRO  50  12.741   3.340  -7.673
  375    H    PHE  51           HN       PHE  51  11.249   1.379  -4.344
  376    HA   PHE  51           HA       PHE  51  11.198  -1.203  -3.103
  377   1HB   PHE  51          HB2       PHE  51  10.811   1.533  -2.248
  378   2HB   PHE  51          HB3       PHE  51   9.534   0.499  -1.613
  379    HD1  PHE  51           HD1      PHE  51  10.411  -1.806  -0.630
  380    HD2  PHE  51           HD2      PHE  51  12.736   1.739  -1.027
  381    HE1  PHE  51           HE1      PHE  51  11.929  -2.610   1.131
  382    HE2  PHE  51           HE2      PHE  51  14.259   0.939   0.732
  383    HZ   PHE  51           HZ       PHE  51  13.882  -1.274   1.774
  384    H    LEU  52           HN       LEU  52   9.074   0.612  -5.072
  385    HA   LEU  52           HA       LEU  52   6.668  -0.731  -4.289
  386   1HB   LEU  52          HB2       LEU  52   7.355   1.037  -6.625
  387   2HB   LEU  52          HB3       LEU  52   5.779   0.304  -6.433
  388    HG   LEU  52           HG       LEU  52   7.064   2.284  -4.557
  389   1HD1  LEU  52          HD11      LEU  52   4.666   2.536  -6.363
  390   2HD1  LEU  52          HD12      LEU  52   5.306   3.780  -5.292
  391   3HD1  LEU  52          HD13      LEU  52   6.256   3.235  -6.673
  392   1HD2  LEU  52          HD21      LEU  52   5.720   0.666  -3.335
  393   2HD2  LEU  52          HD22      LEU  52   4.929   2.242  -3.369
  394   3HD2  LEU  52          HD23      LEU  52   4.367   0.949  -4.429
  395    H    ALA  53           HN       ALA  53   9.347  -1.582  -6.162
  396    HA   ALA  53           HA       ALA  53   8.219  -3.069  -8.231
  397   1HB   ALA  53          HB1       ALA  53  10.747  -3.614  -6.676
  398   2HB   ALA  53          HB2       ALA  53  10.310  -4.389  -8.200
  399   3HB   ALA  53          HB3       ALA  53  10.598  -2.651  -8.146
  400    H    LYS  54           HN       LYS  54   8.113  -3.520  -4.889
  401    HA   LYS  54           HA       LYS  54   6.947  -6.198  -5.224
  402   1HB   LYS  54          HB2       LYS  54   8.564  -5.217  -2.862
  403   2HB   LYS  54          HB3       LYS  54   7.822  -6.803  -3.017
  404   1HG   LYS  54          HG2       LYS  54   9.306  -7.434  -4.746
  405   2HG   LYS  54          HG3       LYS  54   9.896  -5.783  -4.935
  406   1HD   LYS  54          HD2       LYS  54  10.237  -7.400  -2.415
  407   2HD   LYS  54          HD3       LYS  54  11.440  -7.335  -3.703
  408   1HE   LYS  54          HE2       LYS  54  10.416  -5.012  -2.074
  409   2HE   LYS  54          HE3       LYS  54  12.008  -5.761  -1.949
  410   1HZ   LYS  54          HZ1       LYS  54  12.437  -5.075  -4.249
  411   2HZ   LYS  54          HZ2       LYS  54  12.142  -3.751  -3.240
  412   3HZ   LYS  54          HZ3       LYS  54  10.939  -4.292  -4.298
  413    H    MET  55           HN       MET  55   6.212  -3.131  -4.727
  414    HA   MET  55           HA       MET  55   3.913  -3.757  -3.016
  415   1HB   MET  55          HB2       MET  55   5.963  -1.603  -2.600
  416   2HB   MET  55          HB3       MET  55   4.307  -1.364  -2.053
  417   1HG   MET  55          HG2       MET  55   5.938  -3.760  -1.257
  418   2HG   MET  55          HG3       MET  55   5.952  -2.246  -0.350
  419   1HE   MET  55          HE1       MET  55   3.000  -1.225  -0.602
  420   2HE   MET  55          HE2       MET  55   2.241  -1.944   0.819
  421   3HE   MET  55          HE3       MET  55   3.863  -1.262   0.936
  422    H    ARG  56           HN       ARG  56   4.522  -3.131  -5.969
  423    HA   ARG  56           HA       ARG  56   2.951  -0.695  -6.340
  424   1HB   ARG  56          HB2       ARG  56   3.652  -0.724  -8.609
  425   2HB   ARG  56          HB3       ARG  56   5.064  -1.158  -7.657
  426   1HG   ARG  56          HG2       ARG  56   4.078  -3.607  -8.170
  427   2HG   ARG  56          HG3       ARG  56   3.531  -2.742  -9.607
  428   1HD   ARG  56          HD2       ARG  56   5.961  -1.871  -9.726
  429   2HD   ARG  56          HD3       ARG  56   6.321  -3.193  -8.621
  430    HE   ARG  56           HE       ARG  56   4.917  -4.324 -10.701
  431   1HH1  ARG  56          HH12      ARG  56   7.878  -2.526 -10.334
  432   2HH1  ARG  56          HH11      ARG  56   8.667  -3.298 -11.668
  433   1HH2  ARG  56          HH22      ARG  56   5.949  -5.349 -12.464
  434   2HH2  ARG  56          HH21      ARG  56   7.570  -4.903 -12.879
  435    H    GLY  57           HN       GLY  57   2.730  -4.156  -6.780
  436   1HA   GLY  57          HA1       GLY  57   0.485  -4.245  -8.468
  437   2HA   GLY  57          HA2       GLY  57   0.986  -5.522  -7.370
  438    H    ILE  58           HN       ILE  58   0.727  -3.886  -4.980
  439    HA   ILE  58           HA       ILE  58  -2.067  -4.332  -4.522
  440    HB   ILE  58           HB       ILE  58  -0.077  -3.043  -2.663
  441   1HG1  ILE  58          HG12      ILE  58  -0.399  -5.597  -1.770
  442   2HG1  ILE  58          HG13      ILE  58  -0.463  -5.839  -3.509
  443   1HG2  ILE  58          HG21      ILE  58  -2.699  -4.439  -2.144
  444   2HG2  ILE  58          HG22      ILE  58  -1.608  -3.805  -0.912
  445   3HG2  ILE  58          HG23      ILE  58  -2.406  -2.703  -2.034
  446   1HD1  ILE  58          HD11      ILE  58   1.794  -6.119  -2.646
  447   2HD1  ILE  58          HD12      ILE  58   1.697  -4.750  -3.753
  448   3HD1  ILE  58          HD13      ILE  58   1.761  -4.474  -2.012
  449    H    LEU  59           HN       LEU  59   0.048  -1.498  -4.759
  450    HA   LEU  59           HA       LEU  59  -1.874   0.430  -4.051
  451   1HB   LEU  59          HB2       LEU  59   0.579   0.827  -4.173
  452   2HB   LEU  59          HB3       LEU  59   0.482   0.752  -5.919
  453    HG   LEU  59           HG       LEU  59   0.594   3.062  -4.808
  454   1HD1  LEU  59          HD11      LEU  59  -1.662   2.565  -6.738
  455   2HD1  LEU  59          HD12      LEU  59  -0.760   4.061  -6.515
  456   3HD1  LEU  59          HD13      LEU  59   0.042   2.640  -7.182
  457   1HD2  LEU  59          HD21      LEU  59  -1.108   2.618  -3.085
  458   2HD2  LEU  59          HD22      LEU  59  -1.502   4.023  -4.077
  459   3HD2  LEU  59          HD23      LEU  59  -2.331   2.490  -4.349
  460    H    LYS  60           HN       LYS  60  -0.921  -0.909  -7.178
  461    HA   LYS  60           HA       LYS  60  -2.722   0.667  -8.714
  462   1HB   LYS  60          HB2       LYS  60  -0.890  -0.188  -9.904
  463   2HB   LYS  60          HB3       LYS  60  -1.086  -1.798  -9.231
  464   1HG   LYS  60          HG2       LYS  60  -3.267  -0.748 -10.945
  465   2HG   LYS  60          HG3       LYS  60  -1.752  -1.218 -11.721
  466   1HD   LYS  60          HD2       LYS  60  -3.260  -3.003  -9.817
  467   2HD   LYS  60          HD3       LYS  60  -3.503  -3.030 -11.567
  468   1HE   LYS  60          HE2       LYS  60  -0.922  -3.575 -10.102
  469   2HE   LYS  60          HE3       LYS  60  -1.947  -4.770 -10.897
  470   1HZ   LYS  60          HZ1       LYS  60  -0.510  -2.543 -12.237
  471   2HZ   LYS  60          HZ2       LYS  60  -1.518  -3.659 -13.010
  472   3HZ   LYS  60          HZ3       LYS  60  -0.079  -4.179 -12.290
  473    H    SER  61           HN       SER  61  -3.073  -2.088  -6.753
  474    HA   SER  61           HA       SER  61  -5.417  -3.146  -8.048
  475   1HB   SER  61          HB2       SER  61  -3.913  -3.788  -5.526
  476   2HB   SER  61          HB3       SER  61  -5.492  -4.507  -5.840
  477    HG   SER  61           HG       SER  61  -3.784  -5.818  -6.613
  478    H    ILE  62           HN       ILE  62  -4.754  -1.319  -5.071
  479    HA   ILE  62           HA       ILE  62  -7.565  -1.195  -4.409
  480    HB   ILE  62           HB       ILE  62  -5.277   0.266  -3.094
  481   1HG1  ILE  62          HG12      ILE  62  -6.550  -2.358  -2.290
  482   2HG1  ILE  62          HG13      ILE  62  -5.012  -2.227  -3.136
  483   1HG2  ILE  62          HG21      ILE  62  -7.456   1.213  -2.585
  484   2HG2  ILE  62          HG22      ILE  62  -8.062  -0.382  -2.136
  485   3HG2  ILE  62          HG23      ILE  62  -6.800   0.386  -1.172
  486   1HD1  ILE  62          HD11      ILE  62  -4.121  -0.936  -1.233
  487   2HD1  ILE  62          HD12      ILE  62  -5.645  -1.193  -0.384
  488   3HD1  ILE  62          HD13      ILE  62  -4.621  -2.568  -0.794
  489    H    ALA  63           HN       ALA  63  -5.091   1.115  -5.506
  490    HA   ALA  63           HA       ALA  63  -6.994   3.287  -5.520
  491   1HB   ALA  63          HB1       ALA  63  -5.145   4.667  -6.244
  492   2HB   ALA  63          HB2       ALA  63  -4.657   3.657  -4.883
  493   3HB   ALA  63          HB3       ALA  63  -4.154   3.234  -6.519
  494    H    SER  64           HN       SER  64  -4.917   1.906  -8.086
  495    HA   SER  64           HA       SER  64  -6.350   3.223 -10.156
  496   1HB   SER  64          HB2       SER  64  -4.385   0.931 -10.302
  497   2HB   SER  64          HB3       SER  64  -4.968   1.856 -11.684
  498    HG   SER  64           HG       SER  64  -4.137   3.741 -10.422
  499    H    ALA  65           HN       ALA  65  -6.436  -0.115  -8.939
  500    HA   ALA  65           HA       ALA  65  -8.413  -0.826 -10.952
  501   1HB   ALA  65          HB1       ALA  65  -8.248  -3.087 -10.028
  502   2HB   ALA  65          HB2       ALA  65  -6.668  -2.434 -10.457
  503   3HB   ALA  65          HB3       ALA  65  -7.169  -2.488  -8.769
  504    H    ASP  66           HN       ASP  66  -8.226  -0.331  -7.463
  505    HA   ASP  66           HA       ASP  66  -9.819  -0.167  -5.846
  506   1HB   ASP  66          HB2       ASP  66 -10.510   1.732  -7.288
  507   2HB   ASP  66          HB3       ASP  66 -11.593   0.651  -8.160
  508    H    MET  67           HN       MET  67  -9.938  -2.346  -5.299
  509    HA   MET  67           HA       MET  67 -11.987  -3.963  -6.632
  510   1HB   MET  67          HB2       MET  67  -9.883  -4.783  -4.623
  511   2HB   MET  67          HB3       MET  67 -10.981  -5.867  -5.464
  512   1HG   MET  67          HG2       MET  67  -9.073  -4.098  -6.948
  513   2HG   MET  67          HG3       MET  67  -8.590  -5.672  -6.323
  514   1HE   MET  67          HE1       MET  67 -11.230  -4.792  -9.943
  515   2HE   MET  67          HE2       MET  67 -11.709  -4.124  -8.383
  516   3HE   MET  67          HE3       MET  67 -10.151  -3.692  -9.085
  517    H    ASP  68           HN       ASP  68 -12.810  -5.688  -4.789
  518    HA   ASP  68           HA       ASP  68 -14.280  -3.989  -2.911
  519   1HB   ASP  68          HB2       ASP  68 -14.815  -6.818  -3.844
  520   2HB   ASP  68          HB3       ASP  68 -15.829  -5.916  -2.722
  521    H    PHE  69           HN       PHE  69 -13.419  -7.430  -2.681
  522    HA   PHE  69           HA       PHE  69 -11.582  -7.080  -0.538
  523   1HB   PHE  69          HB2       PHE  69 -12.943  -8.087   1.251
  524   2HB   PHE  69          HB3       PHE  69 -13.611  -6.552   0.712
  525    HD1  PHE  69           HD1      PHE  69 -14.187 -10.077   1.123
  526    HD2  PHE  69           HD2      PHE  69 -15.608  -6.553  -0.792
  527    HE1  PHE  69           HE1      PHE  69 -16.356 -11.169   0.731
  528    HE2  PHE  69           HE2      PHE  69 -17.780  -7.638  -1.186
  529    HZ   PHE  69           HZ       PHE  69 -18.157  -9.950  -0.424
  530    H    ASN  70           HN       ASN  70 -13.802  -9.189  -2.269
  531    HA   ASN  70           HA       ASN  70 -12.366 -11.586  -1.536
  532   1HB   ASN  70          HB2       ASN  70 -14.783 -11.690  -1.871
  533   2HB   ASN  70          HB3       ASN  70 -14.595 -11.135  -3.532
  534   1HD2  ASN  70          HD21      ASN  70 -14.171 -13.785  -1.325
  535   2HD2  ASN  70          HD22      ASN  70 -13.932 -15.007  -2.523
  536    H    GLN  71           HN       GLN  71 -12.021  -9.162  -3.867
  537    HA   GLN  71           HA       GLN  71 -10.805 -10.845  -5.885
  538   1HB   GLN  71          HB2       GLN  71 -10.827  -7.830  -5.740
  539   2HB   GLN  71          HB3       GLN  71 -10.513  -8.823  -7.156
  540   1HG   GLN  71          HG2       GLN  71 -13.126  -8.544  -5.691
  541   2HG   GLN  71          HG3       GLN  71 -12.727  -7.902  -7.284
  542   1HE2  GLN  71          HE21      GLN  71 -13.513 -10.739  -5.447
  543   2HE2  GLN  71          HE22      GLN  71 -13.825 -11.776  -6.793
  544    H    LEU  72           HN       LEU  72  -9.786  -8.613  -3.363
  545    HA   LEU  72           HA       LEU  72  -7.011  -8.722  -4.139
  546   1HB   LEU  72          HB2       LEU  72  -8.334  -7.602  -1.667
  547   2HB   LEU  72          HB3       LEU  72  -6.637  -7.429  -2.063
  548    HG   LEU  72           HG       LEU  72  -8.896  -6.347  -3.737
  549   1HD1  LEU  72          HD11      LEU  72  -8.242  -4.170  -2.853
  550   2HD1  LEU  72          HD12      LEU  72  -8.791  -5.255  -1.575
  551   3HD1  LEU  72          HD13      LEU  72  -7.067  -4.953  -1.794
  552   1HD2  LEU  72          HD21      LEU  72  -5.914  -5.897  -3.861
  553   2HD2  LEU  72          HD22      LEU  72  -6.868  -6.832  -5.013
  554   3HD2  LEU  72          HD23      LEU  72  -7.123  -5.093  -4.864
  555    H    GLU  73           HN       GLU  73  -9.115 -10.457  -2.012
  556    HA   GLU  73           HA       GLU  73  -7.403 -11.482  -0.115
  557   1HB   GLU  73          HB2       GLU  73  -9.824 -11.896  -0.137
  558   2HB   GLU  73          HB3       GLU  73  -9.635 -12.950  -1.531
  559   1HG   GLU  73          HG2       GLU  73  -9.880 -14.258   0.480
  560   2HG   GLU  73          HG3       GLU  73  -8.263 -14.471  -0.189
  561    H    ALA  74           HN       ALA  74  -7.996 -12.745  -3.386
  562    HA   ALA  74           HA       ALA  74  -6.047 -14.842  -3.080
  563   1HB   ALA  74          HB1       ALA  74  -7.509 -13.877  -5.535
  564   2HB   ALA  74          HB2       ALA  74  -6.536 -15.344  -5.427
  565   3HB   ALA  74          HB3       ALA  74  -8.011 -15.192  -4.473
  566    H    PHE  75           HN       PHE  75  -5.987 -11.557  -3.989
  567    HA   PHE  75           HA       PHE  75  -3.670 -11.688  -5.681
  568   1HB   PHE  75          HB2       PHE  75  -5.346  -9.907  -5.927
  569   2HB   PHE  75          HB3       PHE  75  -4.964  -9.325  -4.310
  570    HD1  PHE  75           HD1      PHE  75  -2.896  -8.149  -3.865
  571    HD2  PHE  75           HD2      PHE  75  -3.865  -9.514  -7.779
  572    HE1  PHE  75           HE1      PHE  75  -1.139  -6.700  -4.807
  573    HE2  PHE  75           HE2      PHE  75  -2.110  -8.071  -8.725
  574    HZ   PHE  75           HZ       PHE  75  -0.746  -6.663  -7.237
  575    H    LEU  76           HN       LEU  76  -4.313 -11.147  -2.298
  576    HA   LEU  76           HA       LEU  76  -1.747 -10.149  -1.597
  577   1HB   LEU  76          HB2       LEU  76  -4.066 -10.093  -0.371
  578   2HB   LEU  76          HB3       LEU  76  -3.518 -11.606   0.325
  579    HG   LEU  76           HG       LEU  76  -3.132  -9.616   1.765
  580   1HD1  LEU  76          HD11      LEU  76  -0.534 -10.866   0.926
  581   2HD1  LEU  76          HD12      LEU  76  -0.985 -10.255   2.516
  582   3HD1  LEU  76          HD13      LEU  76  -1.753 -11.711   1.880
  583   1HD2  LEU  76          HD21      LEU  76  -2.637  -7.971   0.067
  584   2HD2  LEU  76          HD22      LEU  76  -1.288  -8.098   1.192
  585   3HD2  LEU  76          HD23      LEU  76  -1.184  -8.848  -0.399
  586    H    THR  77           HN       THR  77  -2.955 -13.263  -2.291
  587    HA   THR  77           HA       THR  77  -0.937 -14.700  -0.785
  588    HB   THR  77           HB       THR  77  -2.862 -15.756  -2.869
  589    HG1  THR  77           HG1      THR  77  -3.715 -16.523  -0.581
  590   1HG2  THR  77          HG21      THR  77  -2.456 -17.923  -1.775
  591   2HG2  THR  77          HG22      THR  77  -1.259 -17.159  -0.729
  592   3HG2  THR  77          HG23      THR  77  -0.980 -17.250  -2.468
  593    H    ALA  78           HN       ALA  78  -1.355 -13.350  -3.919
  594    HA   ALA  78           HA       ALA  78   0.584 -14.953  -5.279
  595   1HB   ALA  78          HB1       ALA  78  -0.561 -12.261  -6.007
  596   2HB   ALA  78          HB2       ALA  78   0.350 -13.324  -7.081
  597   3HB   ALA  78          HB3       ALA  78  -1.229 -13.826  -6.473
  598    H    GLN  79           HN       GLN  79   0.601 -11.786  -3.705
  599    HA   GLN  79           HA       GLN  79   3.184 -11.003  -4.483
  600   1HB   GLN  79          HB2       GLN  79   3.016  -9.434  -2.571
  601   2HB   GLN  79          HB3       GLN  79   1.584  -9.428  -3.596
  602   1HG   GLN  79          HG2       GLN  79   0.285 -10.505  -2.035
  603   2HG   GLN  79          HG3       GLN  79   1.676 -11.161  -1.173
  604   1HE2  GLN  79          HE21      GLN  79   1.609  -7.845  -2.174
  605   2HE2  GLN  79          HE22      GLN  79   1.390  -7.166  -0.609
  606    H    THR  80           HN       THR  80   2.171 -13.440  -2.359
  607    HA   THR  80           HA       THR  80   4.778 -13.433  -0.979
  608    HB   THR  80           HB       THR  80   3.672 -14.925   0.706
  609    HG1  THR  80           HG1      THR  80   1.413 -15.063   0.660
  610   1HG2  THR  80          HG21      THR  80   2.283 -12.268   0.381
  611   2HG2  THR  80          HG22      THR  80   3.923 -12.455   1.000
  612   3HG2  THR  80          HG23      THR  80   2.563 -13.152   1.881
  613    H    LYS  81           HN       LYS  81   3.499 -14.743  -3.595
  614    HA   LYS  81           HA       LYS  81   4.943 -17.269  -3.217
  615   1HB   LYS  81          HB2       LYS  81   2.176 -16.946  -4.375
  616   2HB   LYS  81          HB3       LYS  81   3.154 -18.387  -4.614
  617   1HG   LYS  81          HG2       LYS  81   3.229 -18.724  -2.185
  618   2HG   LYS  81          HG3       LYS  81   2.216 -17.296  -1.969
  619   1HD   LYS  81          HD2       LYS  81   0.412 -18.349  -3.194
  620   2HD   LYS  81          HD3       LYS  81   1.428 -19.752  -3.533
  621   1HE   LYS  81          HE2       LYS  81   0.564 -18.824  -0.794
  622   2HE   LYS  81          HE3       LYS  81  -0.138 -20.171  -1.689
  623   1HZ   LYS  81          HZ1       LYS  81   2.006 -21.284  -1.629
  624   2HZ   LYS  81          HZ2       LYS  81   1.476 -20.932  -0.061
  625   3HZ   LYS  81          HZ3       LYS  81   2.683 -19.988  -0.776
  626    H    LYS  82           HN       LYS  82   4.961 -14.495  -4.786
  627    HA   LYS  82           HA       LYS  82   5.370 -15.497  -7.484
  628   1HB   LYS  82          HB2       LYS  82   5.680 -13.177  -8.113
  629   2HB   LYS  82          HB3       LYS  82   4.235 -13.327  -7.126
  630   1HG   LYS  82          HG2       LYS  82   5.285 -12.337  -5.267
  631   2HG   LYS  82          HG3       LYS  82   6.887 -12.520  -5.984
  632   1HD   LYS  82          HD2       LYS  82   6.286 -10.229  -6.200
  633   2HD   LYS  82          HD3       LYS  82   6.145 -10.954  -7.802
  634   1HE   LYS  82          HE2       LYS  82   3.700 -11.233  -7.374
  635   2HE   LYS  82          HE3       LYS  82   3.914 -10.319  -5.882
  636   1HZ   LYS  82          HZ1       LYS  82   4.750  -9.223  -8.495
  637   2HZ   LYS  82          HZ2       LYS  82   4.446  -8.393  -7.052
  638   3HZ   LYS  82          HZ3       LYS  82   3.162  -9.055  -7.934
  639    H    GLN  83           HN       GLN  83   7.408 -13.810  -8.343
  640    HA   GLN  83           HA       GLN  83   9.728 -15.054  -7.039
  641   1HB   GLN  83          HB2       GLN  83   9.727 -13.680  -9.719
  642   2HB   GLN  83          HB3       GLN  83  10.889 -14.840  -9.090
  643   1HG   GLN  83          HG2       GLN  83   9.097 -16.566  -9.149
  644   2HG   GLN  83          HG3       GLN  83   8.060 -15.386  -9.951
  645   1HE2  GLN  83          HE21      GLN  83  10.831 -17.453 -10.254
  646   2HE2  GLN  83          HE22      GLN  83  10.996 -17.325 -11.969
  647    H    GLY  84           HN       GLY  84  10.988 -13.826  -5.800
  648   1HA   GLY  84          HA1       GLY  84  12.055 -11.986  -4.929
  649   2HA   GLY  84          HA2       GLY  84  11.833 -11.221  -6.496
  650    H    GLY  85           HN       GLY  85   8.995 -12.348  -4.943
  651   1HA   GLY  85          HA1       GLY  85   7.830  -9.773  -4.834
  652   2HA   GLY  85          HA2       GLY  85   7.160 -11.240  -4.136
  653    H    ILE  86           HN       ILE  86   6.694 -10.912  -2.072
  654    HA   ILE  86           HA       ILE  86   8.661  -9.452  -0.429
  655    HB   ILE  86           HB       ILE  86   6.854  -8.609   0.938
  656   1HG1  ILE  86          HG12      ILE  86   5.004 -10.053  -0.975
  657   2HG1  ILE  86          HG13      ILE  86   5.341 -10.556   0.677
  658   1HG2  ILE  86          HG21      ILE  86   7.474  -7.247  -0.941
  659   2HG2  ILE  86          HG22      ILE  86   6.433  -8.180  -2.016
  660   3HG2  ILE  86          HG23      ILE  86   5.722  -7.171  -0.754
  661   1HD1  ILE  86          HD11      ILE  86   4.383  -8.426   1.470
  662   2HD1  ILE  86          HD12      ILE  86   3.956  -8.036  -0.194
  663   3HD1  ILE  86          HD13      ILE  86   3.233  -9.435   0.598
  664    H    THR  87           HN       THR  87   8.264  -9.954   1.995
  665    HA   THR  87           HA       THR  87   8.472 -12.829   2.285
  666    HB   THR  87           HB       THR  87   9.075 -12.325   4.639
  667    HG1  THR  87           HG1      THR  87   8.072  -9.881   3.926
  668   1HG2  THR  87          HG21      THR  87  11.204 -11.197   4.148
  669   2HG2  THR  87          HG22      THR  87  10.580 -10.722   2.566
  670   3HG2  THR  87          HG23      THR  87  10.825 -12.428   2.943
  671    H    SER  88           HN       SER  88   7.542 -13.450   4.693
  672    HA   SER  88           HA       SER  88   4.705 -13.517   4.297
  673   1HB   SER  88          HB2       SER  88   6.389 -14.536   6.599
  674   2HB   SER  88          HB3       SER  88   4.683 -14.900   6.344
  675    HG   SER  88           HG       SER  88   6.134 -15.421   4.122
  676    H    ASP  89           HN       ASP  89   6.900 -11.922   6.559
  677    HA   ASP  89           HA       ASP  89   4.946 -10.894   8.304
  678   1HB   ASP  89          HB2       ASP  89   6.706  -9.264   8.967
  679   2HB   ASP  89          HB3       ASP  89   7.278 -10.930   8.950
  680    H    GLN  90           HN       GLN  90   6.111  -9.825   5.199
  681    HA   GLN  90           HA       GLN  90   5.068  -7.183   5.325
  682   1HB   GLN  90          HB2       GLN  90   6.074  -8.965   3.144
  683   2HB   GLN  90          HB3       GLN  90   5.214  -7.492   2.709
  684   1HG   GLN  90          HG2       GLN  90   6.906  -6.394   4.391
  685   2HG   GLN  90          HG3       GLN  90   7.856  -7.839   4.043
  686   1HE2  GLN  90          HE21      GLN  90   9.466  -6.713   2.990
  687   2HE2  GLN  90          HE22      GLN  90   9.239  -5.993   1.436
  688    H    ALA  91           HN       ALA  91   3.679 -10.274   4.668
  689    HA   ALA  91           HA       ALA  91   1.390  -9.290   3.245
  690   1HB   ALA  91          HB1       ALA  91   0.566 -11.550   3.358
  691   2HB   ALA  91          HB2       ALA  91   2.279 -11.572   2.940
  692   3HB   ALA  91          HB3       ALA  91   1.768 -11.963   4.581
  693    H    ALA  92           HN       ALA  92   2.227  -9.739   6.576
  694    HA   ALA  92           HA       ALA  92  -0.326 -10.011   7.702
  695   1HB   ALA  92          HB1       ALA  92   2.118  -8.707   8.890
  696   2HB   ALA  92          HB2       ALA  92   0.697  -9.246   9.784
  697   3HB   ALA  92          HB3       ALA  92   1.719 -10.423   8.959
  698    H    VAL  93           HN       VAL  93   1.496  -7.123   6.785
  699    HA   VAL  93           HA       VAL  93  -0.556  -5.385   7.864
  700    HB   VAL  93           HB       VAL  93   2.203  -5.080   7.119
  701   1HG1  VAL  93          HG11      VAL  93   0.337  -2.994   5.998
  702   2HG1  VAL  93          HG12      VAL  93   2.083  -2.810   6.172
  703   3HG1  VAL  93          HG13      VAL  93   1.431  -4.032   5.082
  704   1HG2  VAL  93          HG21      VAL  93   1.243  -4.552   9.295
  705   2HG2  VAL  93          HG22      VAL  93   2.045  -3.147   8.595
  706   3HG2  VAL  93          HG23      VAL  93   0.286  -3.263   8.567
  707    H    ILE  94           HN       ILE  94   0.681  -6.258   4.642
  708    HA   ILE  94           HA       ILE  94  -0.998  -4.473   3.223
  709    HB   ILE  94           HB       ILE  94   0.155  -7.043   2.143
  710   1HG1  ILE  94          HG12      ILE  94   1.454  -4.312   2.137
  711   2HG1  ILE  94          HG13      ILE  94   1.835  -5.557   3.322
  712   1HG2  ILE  94          HG21      ILE  94  -0.629  -4.443   0.827
  713   2HG2  ILE  94          HG22      ILE  94   0.148  -5.801   0.014
  714   3HG2  ILE  94          HG23      ILE  94  -1.474  -5.984   0.687
  715   1HD1  ILE  94          HD11      ILE  94   3.482  -5.542   1.570
  716   2HD1  ILE  94          HD12      ILE  94   2.546  -7.036   1.494
  717   3HD1  ILE  94          HD13      ILE  94   2.226  -5.735   0.346
  718    H    SER  95           HN       SER  95  -1.464  -7.772   4.359
  719    HA   SER  95           HA       SER  95  -3.755  -8.375   2.828
  720   1HB   SER  95          HB2       SER  95  -2.509 -10.119   4.004
  721   2HB   SER  95          HB3       SER  95  -2.954  -9.413   5.557
  722    HG   SER  95           HG       SER  95  -4.313 -11.168   4.102
  723    H    LYS  96           HN       LYS  96  -3.283  -6.208   5.366
  724    HA   LYS  96           HA       LYS  96  -6.011  -6.255   6.322
  725   1HB   LYS  96          HB2       LYS  96  -3.817  -4.289   6.986
  726   2HB   LYS  96          HB3       LYS  96  -5.309  -4.554   7.881
  727   1HG   LYS  96          HG2       LYS  96  -4.609  -6.691   8.595
  728   2HG   LYS  96          HG3       LYS  96  -3.230  -6.684   7.496
  729   1HD   LYS  96          HD2       LYS  96  -2.328  -6.195   9.608
  730   2HD   LYS  96          HD3       LYS  96  -2.431  -4.635   8.788
  731   1HE   LYS  96          HE2       LYS  96  -4.581  -4.219   9.946
  732   2HE   LYS  96          HE3       LYS  96  -4.365  -5.732  10.824
  733   1HZ   LYS  96          HZ1       LYS  96  -3.642  -3.856  12.147
  734   2HZ   LYS  96          HZ2       LYS  96  -2.552  -3.383  10.942
  735   3HZ   LYS  96          HZ3       LYS  96  -2.318  -4.840  11.768
  736    H    PHE  97           HN       PHE  97  -4.699  -5.183   3.594
  737    HA   PHE  97           HA       PHE  97  -5.221  -2.575   3.150
  738   1HB   PHE  97          HB2       PHE  97  -5.974  -3.341   0.779
  739   2HB   PHE  97          HB3       PHE  97  -4.326  -3.619   1.318
  740    HD1  PHE  97           HD1      PHE  97  -4.224  -5.316  -0.565
  741    HD2  PHE  97           HD2      PHE  97  -6.822  -5.743   2.780
  742    HE1  PHE  97           HE1      PHE  97  -4.489  -7.705  -1.077
  743    HE2  PHE  97           HE2      PHE  97  -7.087  -8.137   2.272
  744    HZ   PHE  97           HZ       PHE  97  -5.827  -9.105   0.245
  745    H    TRP  98           HN       TRP  98  -7.719  -4.847   3.961
  746    HA   TRP  98           HA       TRP  98  -9.613  -2.664   3.701
  747   1HB   TRP  98          HB2       TRP  98 -11.337  -4.148   2.602
  748   2HB   TRP  98          HB3       TRP  98 -10.028  -3.587   1.577
  749    HD1  TRP  98           HD1      TRP  98  -8.995  -5.374   0.098
  750    HE1  TRP  98           HE1      TRP  98  -8.910  -7.943   0.077
  751    HE3  TRP  98           HE3      TRP  98 -11.382  -6.319   4.527
  752    HZ2  TRP  98           HZ2      TRP  98  -9.741 -10.084   1.705
  753    HZ3  TRP  98           HZ3      TRP  98 -11.698  -8.656   5.215
  754    HH2  TRP  98           HH2      TRP  98 -10.895 -10.501   3.832
  755    H    LYS  99           HN       LYS  99  -8.528  -5.405   5.327
  756    HA   LYS  99           HA       LYS  99 -10.920  -6.187   6.612
  757   1HB   LYS  99          HB2       LYS  99  -9.592  -7.482   8.050
  758   2HB   LYS  99          HB3       LYS  99  -8.687  -7.439   6.544
  759   1HG   LYS  99          HG2       LYS  99  -6.933  -6.574   7.566
  760   2HG   LYS  99          HG3       LYS  99  -7.894  -5.248   8.213
  761   1HD   LYS  99          HD2       LYS  99  -7.638  -7.999   9.429
  762   2HD   LYS  99          HD3       LYS  99  -6.826  -6.540   9.999
  763   1HE   LYS  99          HE2       LYS  99  -8.945  -5.516  10.530
  764   2HE   LYS  99          HE3       LYS  99  -9.817  -6.881   9.833
  765   1HZ   LYS  99          HZ1       LYS  99  -9.739  -7.022  12.240
  766   2HZ   LYS  99          HZ2       LYS  99  -8.049  -6.988  12.218
  767   3HZ   LYS  99          HZ3       LYS  99  -8.875  -8.304  11.551
  768    H    SER 100           HN       SER 100  -8.758  -3.534   7.055
  769    HA   SER 100           HA       SER 100  -9.415  -2.865   9.725
  770   1HB   SER 100          HB2       SER 100  -8.475  -0.647   9.186
  771   2HB   SER 100          HB3       SER 100  -7.430  -1.945   8.609
  772    HG   SER 100           HG       SER 100  -7.676  -0.386   6.999
  773    H    HIS 101           HN       HIS 101 -10.900  -2.243   6.638
  774    HA   HIS 101           HA       HIS 101 -12.920  -0.497   7.851
  775   1HB   HIS 101          HB2       HIS 101 -11.795   0.088   5.651
  776   2HB   HIS 101          HB3       HIS 101 -12.650  -1.276   4.940
  777    HD1  HIS 101           HD1      HIS 101 -13.994   1.375   7.310
  778    HD2  HIS 101           HD2      HIS 101 -14.572  -0.065   3.453
  779    HE1  HIS 101           HE1      HIS 101 -15.993   2.615   6.423
  780    HE2  HIS 101           HE2      HIS 101 -16.336   1.718   4.092
  781    H    LYS 102           HN       LYS 102 -12.380  -3.698   7.405
  782    HA   LYS 102           HA       LYS 102 -13.577  -5.566   7.408
  783   1HB   LYS 102          HB2       LYS 102 -15.569  -3.704   8.644
  784   2HB   LYS 102          HB3       LYS 102 -15.717  -5.444   8.606
  785   1HG   LYS 102          HG2       LYS 102 -14.864  -4.976  10.723
  786   2HG   LYS 102          HG3       LYS 102 -13.475  -5.524   9.787
  787   1HD   LYS 102          HD2       LYS 102 -12.790  -3.613  11.040
  788   2HD   LYS 102          HD3       LYS 102 -12.929  -3.114   9.354
  789   1HE   LYS 102          HE2       LYS 102 -15.106  -2.129   9.805
  790   2HE   LYS 102          HE3       LYS 102 -15.030  -2.681  11.477
  791   1HZ   LYS 102          HZ1       LYS 102 -13.057  -1.273  11.776
  792   2HZ   LYS 102          HZ2       LYS 102 -14.424  -0.373  11.350
  793   3HZ   LYS 102          HZ3       LYS 102 -13.232  -0.694  10.195
  794    H    THR 103           HN       THR 103 -14.749  -6.806   6.120
  795    HA   THR 103           HA       THR 103 -15.563  -5.899   3.629
  796    HB   THR 103           HB       THR 103 -16.529  -8.097   3.272
  797    HG1  THR 103           HG1      THR 103 -16.174  -8.521   6.070
  798   1HG2  THR 103          HG21      THR 103 -14.607  -9.500   3.909
  799   2HG2  THR 103          HG22      THR 103 -14.046  -8.226   4.992
  800   3HG2  THR 103          HG23      THR 103 -14.093  -7.948   3.250
  801    H    LYS 104           HN       LYS 104 -17.717  -7.085   6.228
  802    HA   LYS 104           HA       LYS 104 -20.091  -6.259   4.960
  803   1HB   LYS 104          HB2       LYS 104 -19.759  -6.562   7.939
  804   2HB   LYS 104          HB3       LYS 104 -21.206  -6.827   6.977
  805   1HG   LYS 104          HG2       LYS 104 -18.717  -8.523   6.975
  806   2HG   LYS 104          HG3       LYS 104 -20.274  -8.936   7.691
  807   1HD   LYS 104          HD2       LYS 104 -19.781  -8.447   4.752
  808   2HD   LYS 104          HD3       LYS 104 -19.915 -10.034   5.513
  809   1HE   LYS 104          HE2       LYS 104 -22.065  -7.918   5.441
  810   2HE   LYS 104          HE3       LYS 104 -22.016  -9.373   4.445
  811   1HZ   LYS 104          HZ1       LYS 104 -22.146 -10.706   6.463
  812   2HZ   LYS 104          HZ2       LYS 104 -23.474  -9.665   6.340
  813   3HZ   LYS 104          HZ3       LYS 104 -22.213  -9.304   7.408
  814    H    ILE 105           HN       ILE 105 -17.682  -4.468   6.428
  815    HA   ILE 105           HA       ILE 105 -19.497  -2.226   6.997
  816    HB   ILE 105           HB       ILE 105 -16.711  -2.810   8.003
  817   1HG1  ILE 105          HG12      ILE 105 -17.973  -2.539  10.225
  818   2HG1  ILE 105          HG13      ILE 105 -19.445  -2.642   9.267
  819   1HG2  ILE 105          HG21      ILE 105 -16.468  -0.557   7.943
  820   2HG2  ILE 105          HG22      ILE 105 -18.213  -0.273   7.871
  821   3HG2  ILE 105          HG23      ILE 105 -17.441  -0.641   9.415
  822   1HD1  ILE 105          HD11      ILE 105 -17.328  -4.752   9.568
  823   2HD1  ILE 105          HD12      ILE 105 -18.973  -4.784  10.198
  824   3HD1  ILE 105          HD13      ILE 105 -18.694  -4.862   8.460
  825    H    ARG 106           HN       ARG 106 -19.402  -2.363   4.482
  826    HA   ARG 106           HA       ARG 106 -17.762  -0.138   3.642
  827   1HB   ARG 106          HB2       ARG 106 -16.372  -2.210   3.300
  828   2HB   ARG 106          HB3       ARG 106 -17.575  -2.746   2.137
  829   1HG   ARG 106          HG2       ARG 106 -17.119  -0.880   0.706
  830   2HG   ARG 106          HG3       ARG 106 -16.045  -0.165   1.911
  831   1HD   ARG 106          HD2       ARG 106 -14.527  -2.060   1.695
  832   2HD   ARG 106          HD3       ARG 106 -15.609  -2.805   0.519
  833    HE   ARG 106           HE       ARG 106 -15.087  -0.417  -0.604
  834   1HH1  ARG 106          HH12      ARG 106 -13.019  -2.873   0.752
  835   2HH1  ARG 106          HH11      ARG 106 -11.694  -2.525  -0.309
  836   1HH2  ARG 106          HH22      ARG 106 -13.348   0.047  -2.003
  837   2HH2  ARG 106          HH21      ARG 106 -11.882  -0.867  -1.875
  838    H    GLU 107           HN       GLU 107 -20.252  -2.504   3.005
  839    HA   GLU 107           HA       GLU 107 -21.328  -0.828   0.846
  840   1HB   GLU 107          HB2       GLU 107 -21.919  -3.687   1.623
  841   2HB   GLU 107          HB3       GLU 107 -22.782  -2.812   0.366
  842   1HG   GLU 107          HG2       GLU 107 -20.704  -2.550  -0.885
  843   2HG   GLU 107          HG3       GLU 107 -19.833  -3.418   0.380
  844    H    SER 108           HN       SER 108 -21.750  -1.559   4.114
  845    HA   SER 108           HA       SER 108 -24.544  -1.415   4.391
  846   1HB   SER 108          HB2       SER 108 -24.054  -0.804   6.761
  847   2HB   SER 108          HB3       SER 108 -23.163  -2.223   6.210
  848    HG   SER 108           HG       SER 108 -21.634  -0.186   5.655
  Start of MODEL    7
    1   1H    MET   1          H1        MET   1  23.135  -4.122  11.486
    2   2H    MET   1          H2        MET   1  23.084  -5.610  10.683
    3   3H    MET   1          H3        MET   1  22.925  -5.552  12.367
    4    HA   MET   1           HA       MET   1  20.795  -5.929  11.327
    5   1HB   MET   1          HB2       MET   1  21.083  -3.169  12.528
    6   2HB   MET   1          HB3       MET   1  19.575  -4.059  12.380
    7   1HG   MET   1          HG2       MET   1  20.500  -5.814  13.839
    8   2HG   MET   1          HG3       MET   1  21.962  -4.848  14.032
    9   1HE   MET   1          HE1       MET   1  18.128  -5.123  14.758
   10   2HE   MET   1          HE2       MET   1  17.791  -3.585  15.553
   11   3HE   MET   1          HE3       MET   1  18.213  -3.620  13.840
   12    H    ALA   2           HN       ALA   2  19.771  -5.817   9.456
   13    HA   ALA   2           HA       ALA   2  20.473  -3.822   7.496
   14   1HB   ALA   2          HB1       ALA   2  19.005  -5.069   6.002
   15   2HB   ALA   2          HB2       ALA   2  20.113  -6.154   6.841
   16   3HB   ALA   2          HB3       ALA   2  18.431  -6.039   7.359
   17    H    ALA   3           HN       ALA   3  19.476  -1.940   7.210
   18    HA   ALA   3           HA       ALA   3  16.636  -1.656   7.530
   19   1HB   ALA   3          HB1       ALA   3  18.423  -0.133   9.425
   20   2HB   ALA   3          HB2       ALA   3  16.671   0.011   9.288
   21   3HB   ALA   3          HB3       ALA   3  17.390  -1.491   9.868
   22    H    GLY   4           HN       GLY   4  16.383   1.055   7.687
   23   1HA   GLY   4          HA1       GLY   4  17.640   3.002   6.631
   24   2HA   GLY   4          HA2       GLY   4  17.781   1.936   5.241
   25    H    GLU   5           HN       GLU   5  15.789   1.237   4.203
   26    HA   GLU   5           HA       GLU   5  13.928   3.433   4.014
   27   1HB   GLU   5          HB2       GLU   5  12.979   2.253   2.135
   28   2HB   GLU   5          HB3       GLU   5  14.731   2.213   2.001
   29   1HG   GLU   5          HG2       GLU   5  13.065  -0.043   3.090
   30   2HG   GLU   5          HG3       GLU   5  13.601   0.083   1.416
   31    H    LEU   6           HN       LEU   6  11.663   3.259   4.308
   32    HA   LEU   6           HA       LEU   6   9.755   2.670   5.409
   33   1HB   LEU   6          HB2       LEU   6  10.862  -0.104   5.747
   34   2HB   LEU   6          HB3       LEU   6   9.185   0.390   5.613
   35    HG   LEU   6           HG       LEU   6  11.080   0.728   3.307
   36   1HD1  LEU   6          HD11      LEU   6   9.445  -1.725   3.936
   37   2HD1  LEU   6          HD12      LEU   6  10.367  -1.436   2.461
   38   3HD1  LEU   6          HD13      LEU   6  11.204  -1.614   4.004
   39   1HD2  LEU   6          HD21      LEU   6   8.885   0.387   2.076
   40   2HD2  LEU   6          HD22      LEU   6   8.098   0.576   3.643
   41   3HD2  LEU   6          HD23      LEU   6   9.063   1.894   2.976
   42    H    GLU   7           HN       GLU   7   9.890   3.808   7.286
   43    HA   GLU   7           HA       GLU   7  11.720   3.338   9.354
   44   1HB   GLU   7          HB2       GLU   7  10.231   4.738  10.747
   45   2HB   GLU   7          HB3       GLU   7  10.576   5.457   9.181
   46   1HG   GLU   7          HG2       GLU   7   8.406   4.821   8.359
   47   2HG   GLU   7          HG3       GLU   7   8.063   3.945   9.850
   48    H    GLY   8           HN       GLY   8   8.419   2.147   8.877
   49   1HA   GLY   8          HA1       GLY   8   8.990  -0.043  10.704
   50   2HA   GLY   8          HA2       GLY   8   7.697   1.038  11.201
   51    H    GLY   9           HN       GLY   9   6.658  -1.214  11.055
   52   1HA   GLY   9          HA1       GLY   9   6.001  -2.137   8.406
   53   2HA   GLY   9          HA2       GLY   9   5.367  -2.764   9.919
   54    H    LYS  10           HN       LYS  10   4.227  -0.492  11.014
   55    HA   LYS  10           HA       LYS  10   1.702  -0.461   9.980
   56   1HB   LYS  10          HB2       LYS  10   3.167   1.698  11.485
   57   2HB   LYS  10          HB3       LYS  10   1.449   1.792  11.123
   58   1HG   LYS  10          HG2       LYS  10   2.767  -0.401  12.713
   59   2HG   LYS  10          HG3       LYS  10   1.919   0.983  13.400
   60   1HD   LYS  10          HD2       LYS  10   0.670  -1.058  11.559
   61   2HD   LYS  10          HD3       LYS  10   0.541  -1.080  13.317
   62   1HE   LYS  10          HE2       LYS  10  -0.542   1.128  13.246
   63   2HE   LYS  10          HE3       LYS  10  -0.438   1.112  11.487
   64   1HZ   LYS  10          HZ1       LYS  10  -1.943  -0.842  13.142
   65   2HZ   LYS  10          HZ2       LYS  10  -1.852  -0.843  11.453
   66   3HZ   LYS  10          HZ3       LYS  10  -2.624   0.429  12.257
   67    HA   PRO  11           HA       PRO  11   2.736   3.662   7.428
   68   1HB   PRO  11          HB2       PRO  11   5.579   2.966   6.896
   69   2HB   PRO  11          HB3       PRO  11   4.826   4.551   7.098
   70   1HG   PRO  11          HG2       PRO  11   6.315   3.394   9.030
   71   2HG   PRO  11          HG3       PRO  11   4.952   4.468   9.383
   72   1HD   PRO  11          HD2       PRO  11   5.167   1.546   9.716
   73   2HD   PRO  11          HD3       PRO  11   4.094   2.704  10.511
   74    H    LEU  12           HN       LEU  12   4.704   0.765   6.836
   75    HA   LEU  12           HA       LEU  12   4.519   0.649   4.070
   76   1HB   LEU  12          HB2       LEU  12   6.010  -0.738   5.460
   77   2HB   LEU  12          HB3       LEU  12   4.625  -1.653   6.018
   78    HG   LEU  12           HG       LEU  12   4.235  -2.280   3.583
   79   1HD1  LEU  12          HD11      LEU  12   6.255  -2.212   2.155
   80   2HD1  LEU  12          HD12      LEU  12   5.586  -0.617   2.500
   81   3HD1  LEU  12          HD13      LEU  12   7.024  -1.172   3.355
   82   1HD2  LEU  12          HD21      LEU  12   6.792  -3.234   4.860
   83   2HD2  LEU  12          HD22      LEU  12   5.178  -3.769   5.325
   84   3HD2  LEU  12          HD23      LEU  12   5.788  -4.113   3.708
   85    H    SER  13           HN       SER  13   2.145  -0.134   6.480
   86    HA   SER  13           HA       SER  13   0.467  -1.660   4.719
   87   1HB   SER  13          HB2       SER  13   0.322  -2.122   7.080
   88   2HB   SER  13          HB3       SER  13  -0.045  -0.434   7.438
   89    HG   SER  13           HG       SER  13  -1.910  -1.809   7.400
   90    H    GLY  14           HN       GLY  14   0.754   1.688   5.695
   91   1HA   GLY  14          HA1       GLY  14  -1.693   2.417   4.274
   92   2HA   GLY  14          HA2       GLY  14  -0.676   3.496   5.217
   93    H    LEU  15           HN       LEU  15   0.943   1.435   3.050
   94    HA   LEU  15           HA       LEU  15   2.101   3.530   1.571
   95   1HB   LEU  15          HB2       LEU  15   2.304   0.715   1.793
   96   2HB   LEU  15          HB3       LEU  15   2.153   1.095   0.092
   97    HG   LEU  15           HG       LEU  15   4.510   0.912   0.919
   98   1HD1  LEU  15          HD11      LEU  15   3.779   3.640  -0.123
   99   2HD1  LEU  15          HD12      LEU  15   5.304   2.784  -0.343
  100   3HD1  LEU  15          HD13      LEU  15   3.835   2.179  -1.108
  101   1HD2  LEU  15          HD21      LEU  15   5.392   2.281   2.498
  102   2HD2  LEU  15          HD22      LEU  15   4.314   3.620   2.099
  103   3HD2  LEU  15          HD23      LEU  15   3.725   2.275   3.075
  104    H    LEU  16           HN       LEU  16  -0.581   1.362   0.939
  105    HA   LEU  16           HA       LEU  16  -1.029   2.172  -1.747
  106   1HB   LEU  16          HB2       LEU  16  -3.163   1.096   0.085
  107   2HB   LEU  16          HB3       LEU  16  -3.043   0.925  -1.654
  108    HG   LEU  16           HG       LEU  16  -2.504  -1.192  -0.916
  109   1HD1  LEU  16          HD11      LEU  16  -0.752  -0.373  -2.408
  110   2HD1  LEU  16          HD12      LEU  16   0.182   0.170  -1.014
  111   3HD1  LEU  16          HD13      LEU  16  -0.128  -1.550  -1.251
  112   1HD2  LEU  16          HD21      LEU  16  -0.544  -0.437   1.164
  113   2HD2  LEU  16          HD22      LEU  16  -2.249  -0.160   1.524
  114   3HD2  LEU  16          HD23      LEU  16  -1.686  -1.778   1.107
  115    H    ASN  17           HN       ASN  17  -1.635   3.509   1.295
  116    HA   ASN  17           HA       ASN  17  -3.788   5.264   0.508
  117   1HB   ASN  17          HB2       ASN  17  -2.196   4.762   2.992
  118   2HB   ASN  17          HB3       ASN  17  -3.127   6.257   2.854
  119   1HD2  ASN  17          HD21      ASN  17  -3.433   3.936   4.634
  120   2HD2  ASN  17          HD22      ASN  17  -5.052   3.379   4.400
  121    H    ALA  18           HN       ALA  18  -0.330   5.536   1.249
  122    HA   ALA  18           HA       ALA  18  -0.081   8.323   0.959
  123   1HB   ALA  18          HB1       ALA  18   1.717   7.314   1.999
  124   2HB   ALA  18          HB2       ALA  18   1.832   6.037   0.787
  125   3HB   ALA  18          HB3       ALA  18   2.355   7.673   0.396
  126    H    LEU  19           HN       LEU  19   0.263   5.666  -1.326
  127    HA   LEU  19           HA       LEU  19   0.987   7.366  -3.529
  128   1HB   LEU  19          HB2       LEU  19   0.127   4.483  -3.607
  129   2HB   LEU  19          HB3       LEU  19   1.054   5.351  -4.817
  130    HG   LEU  19           HG       LEU  19   2.189   5.141  -2.071
  131   1HD1  LEU  19          HD11      LEU  19   2.270   2.905  -4.088
  132   2HD1  LEU  19          HD12      LEU  19   3.160   2.974  -2.567
  133   3HD1  LEU  19          HD13      LEU  19   1.400   2.878  -2.553
  134   1HD2  LEU  19          HD21      LEU  19   4.281   5.090  -3.307
  135   2HD2  LEU  19          HD22      LEU  19   3.398   5.031  -4.832
  136   3HD2  LEU  19          HD23      LEU  19   3.299   6.465  -3.811
  137    H    ALA  20           HN       ALA  20  -1.811   7.277  -2.038
  138    HA   ALA  20           HA       ALA  20  -3.690   6.616  -4.057
  139   1HB   ALA  20          HB1       ALA  20  -4.016   8.379  -1.636
  140   2HB   ALA  20          HB2       ALA  20  -5.330   7.757  -2.637
  141   3HB   ALA  20          HB3       ALA  20  -4.319   6.643  -1.714
  142    H    GLN  21           HN       GLN  21  -1.473   9.013  -4.107
  143    HA   GLN  21           HA       GLN  21  -3.059  11.216  -4.987
  144   1HB   GLN  21          HB2       GLN  21  -0.875  12.161  -5.748
  145   2HB   GLN  21          HB3       GLN  21  -0.908  11.688  -4.056
  146   1HG   GLN  21          HG2       GLN  21   0.559   9.973  -4.358
  147   2HG   GLN  21          HG3       GLN  21   0.079   9.712  -6.036
  148   1HE2  GLN  21          HE21      GLN  21   2.729  10.099  -4.718
  149   2HE2  GLN  21          HE22      GLN  21   3.478  11.378  -5.603
  150    H    ASP  22           HN       ASP  22  -2.534   8.313  -6.405
  151    HA   ASP  22           HA       ASP  22  -2.758   9.453  -9.113
  152   1HB   ASP  22          HB2       ASP  22  -1.450   6.849  -8.300
  153   2HB   ASP  22          HB3       ASP  22  -1.676   7.393  -9.960
  154    H    THR  23           HN       THR  23  -4.653   8.363  -6.880
  155    HA   THR  23           HA       THR  23  -5.935   6.077  -7.868
  156    HB   THR  23           HB       THR  23  -6.340   6.860  -5.605
  157    HG1  THR  23           HG1      THR  23  -8.240   5.949  -5.759
  158   1HG2  THR  23          HG21      THR  23  -7.888   9.134  -6.837
  159   2HG2  THR  23          HG22      THR  23  -6.274   9.289  -6.148
  160   3HG2  THR  23          HG23      THR  23  -7.630   8.829  -5.119
  161    H    PHE  24           HN       PHE  24  -6.082   9.386  -8.863
  162    HA   PHE  24           HA       PHE  24  -7.865   8.634 -11.043
  163   1HB   PHE  24          HB2       PHE  24  -9.212   9.607  -9.085
  164   2HB   PHE  24          HB3       PHE  24  -8.443  11.141  -9.477
  165    HD1  PHE  24           HD1      PHE  24 -11.042   8.816 -10.312
  166    HD2  PHE  24           HD2      PHE  24  -8.800  12.129 -11.762
  167    HE1  PHE  24           HE1      PHE  24 -12.762   9.226 -12.022
  168    HE2  PHE  24           HE2      PHE  24 -10.515  12.545 -13.474
  169    HZ   PHE  24           HZ       PHE  24 -12.501  11.094 -13.606
  170    H    HIS  25           HN       HIS  25  -6.618  11.706  -9.718
  171    HA   HIS  25           HA       HIS  25  -4.853  11.982 -12.020
  172   1HB   HIS  25          HB2       HIS  25  -5.711  14.122 -12.695
  173   2HB   HIS  25          HB3       HIS  25  -7.057  12.988 -12.662
  174    HD1  HIS  25           HD1      HIS  25  -8.657  13.190 -10.499
  175    HD2  HIS  25           HD2      HIS  25  -6.060  16.360 -11.176
  176    HE1  HIS  25           HE1      HIS  25  -9.554  15.098  -9.130
  177    HE2  HIS  25           HE2      HIS  25  -7.906  16.972  -9.473
  178    H    GLY  26           HN       GLY  26  -5.950  13.082  -8.880
  179   1HA   GLY  26          HA1       GLY  26  -3.746  13.353  -7.486
  180   2HA   GLY  26          HA2       GLY  26  -3.554  14.737  -8.553
  181    H    TYR  27           HN       TYR  27  -5.482  13.339  -5.981
  182    HA   TYR  27           HA       TYR  27  -7.210  15.599  -5.689
  183   1HB   TYR  27          HB2       TYR  27  -7.864  13.323  -4.981
  184   2HB   TYR  27          HB3       TYR  27  -6.613  13.358  -3.745
  185    HD1  TYR  27           HD1      TYR  27  -9.859  14.763  -4.773
  186    HD2  TYR  27           HD2      TYR  27  -6.936  14.545  -1.689
  187    HE1  TYR  27           HE1      TYR  27 -11.455  15.772  -3.198
  188    HE2  TYR  27           HE2      TYR  27  -8.524  15.551  -0.104
  189    HH   TYR  27           HH       TYR  27 -11.852  15.917  -0.817
  190    HA   PRO  28           HA       PRO  28  -4.380  18.332  -3.585
  191   1HB   PRO  28          HB2       PRO  28  -6.865  19.319  -2.279
  192   2HB   PRO  28          HB3       PRO  28  -5.616  20.218  -3.147
  193   1HG   PRO  28          HG2       PRO  28  -7.984  19.749  -4.271
  194   2HG   PRO  28          HG3       PRO  28  -6.491  19.690  -5.226
  195   1HD   PRO  28          HD2       PRO  28  -8.168  17.449  -4.186
  196   2HD   PRO  28          HD3       PRO  28  -7.284  17.581  -5.720
  197    H    GLY  29           HN       GLY  29  -3.179  17.574  -1.963
  198   1HA   GLY  29          HA1       GLY  29  -3.162  17.628   0.555
  199   2HA   GLY  29          HA2       GLY  29  -4.559  16.567   0.448
  200    H    ILE  30           HN       ILE  30  -2.763  15.607  -2.058
  201    HA   ILE  30           HA       ILE  30  -0.823  14.013  -0.599
  202    HB   ILE  30           HB       ILE  30  -2.900  12.692  -0.455
  203   1HG1  ILE  30          HG12      ILE  30  -1.944  10.596  -1.566
  204   2HG1  ILE  30          HG13      ILE  30  -0.632  11.626  -2.131
  205   1HG2  ILE  30          HG21      ILE  30  -3.975  13.450  -2.505
  206   2HG2  ILE  30          HG22      ILE  30  -2.758  12.609  -3.464
  207   3HG2  ILE  30          HG23      ILE  30  -3.873  11.690  -2.453
  208   1HD1  ILE  30          HD11      ILE  30  -1.382  11.297   0.761
  209   2HD1  ILE  30          HD12      ILE  30  -0.128  10.363  -0.054
  210   3HD1  ILE  30          HD13      ILE  30   0.038  12.112   0.107
  211    H    THR  31           HN       THR  31   0.982  13.870  -1.736
  212    HA   THR  31           HA       THR  31   0.913  13.636  -4.626
  213    HB   THR  31           HB       THR  31   0.928  16.103  -4.172
  214    HG1  THR  31           HG1      THR  31   2.539  16.478  -5.713
  215   1HG2  THR  31          HG21      THR  31   2.205  16.332  -2.206
  216   2HG2  THR  31          HG22      THR  31   3.195  17.025  -3.488
  217   3HG2  THR  31          HG23      THR  31   3.552  15.411  -2.874
  218    H    GLU  32           HN       GLU  32   3.673  14.178  -5.038
  219    HA   GLU  32           HA       GLU  32   4.760  11.696  -4.241
  220   1HB   GLU  32          HB2       GLU  32   6.102  14.105  -5.464
  221   2HB   GLU  32          HB3       GLU  32   6.852  12.524  -5.290
  222   1HG   GLU  32          HG2       GLU  32   5.146  11.555  -6.742
  223   2HG   GLU  32          HG3       GLU  32   4.395  13.140  -6.917
  224    H    GLU  33           HN       GLU  33   5.443  15.017  -3.205
  225    HA   GLU  33           HA       GLU  33   7.509  14.352  -1.412
  226   1HB   GLU  33          HB2       GLU  33   5.615  16.706  -1.403
  227   2HB   GLU  33          HB3       GLU  33   7.047  16.575  -0.394
  228   1HG   GLU  33          HG2       GLU  33   7.593  17.948  -2.248
  229   2HG   GLU  33          HG3       GLU  33   8.411  16.403  -2.469
  230    H    LEU  34           HN       LEU  34   4.034  14.214  -1.110
  231    HA   LEU  34           HA       LEU  34   4.104  14.026   1.749
  232   1HB   LEU  34          HB2       LEU  34   1.782  13.478  -0.080
  233   2HB   LEU  34          HB3       LEU  34   1.747  13.883   1.610
  234    HG   LEU  34           HG       LEU  34   2.281  15.666  -0.690
  235   1HD1  LEU  34          HD11      LEU  34   0.430  15.790   1.672
  236   2HD1  LEU  34          HD12      LEU  34   0.617  17.074   0.476
  237   3HD1  LEU  34          HD13      LEU  34  -0.009  15.500  -0.010
  238   1HD2  LEU  34          HD21      LEU  34   3.120  16.044   2.153
  239   2HD2  LEU  34          HD22      LEU  34   4.086  16.225   0.685
  240   3HD2  LEU  34          HD23      LEU  34   2.833  17.410   1.069
  241    H    LEU  35           HN       LEU  35   3.319  11.769  -0.918
  242    HA   LEU  35           HA       LEU  35   2.574   9.570   0.505
  243   1HB   LEU  35          HB2       LEU  35   3.090   8.251  -1.332
  244   2HB   LEU  35          HB3       LEU  35   2.858   9.839  -2.033
  245    HG   LEU  35           HG       LEU  35   5.487   9.979  -1.763
  246   1HD1  LEU  35          HD11      LEU  35   5.903   7.923  -0.658
  247   2HD1  LEU  35          HD12      LEU  35   4.909   7.026  -1.804
  248   3HD1  LEU  35          HD13      LEU  35   6.446   7.718  -2.322
  249   1HD2  LEU  35          HD21      LEU  35   4.139   8.380  -3.933
  250   2HD2  LEU  35          HD22      LEU  35   4.221  10.139  -3.856
  251   3HD2  LEU  35          HD23      LEU  35   5.699   9.197  -4.051
  252    H    ARG  36           HN       ARG  36   5.804  10.849   0.150
  253    HA   ARG  36           HA       ARG  36   7.055   8.628   1.501
  254   1HB   ARG  36          HB2       ARG  36   8.484   9.559  -0.052
  255   2HB   ARG  36          HB3       ARG  36   7.970  11.202   0.298
  256   1HG   ARG  36          HG2       ARG  36   9.137  10.934   2.535
  257   2HG   ARG  36          HG3       ARG  36   9.855   9.466   1.862
  258   1HD   ARG  36          HD2       ARG  36  10.936  10.698   0.138
  259   2HD   ARG  36          HD3       ARG  36  10.029  12.159   0.522
  260    HE   ARG  36           HE       ARG  36  11.851  11.037   2.526
  261   1HH1  ARG  36          HH12      ARG  36  11.025  13.580   0.290
  262   2HH1  ARG  36          HH11      ARG  36  12.186  14.694   0.930
  263   1HH2  ARG  36          HH22      ARG  36  13.383  12.498   3.373
  264   2HH2  ARG  36          HH21      ARG  36  13.525  14.081   2.684
  265    H    SER  37           HN       SER  37   6.746  12.100   2.203
  266    HA   SER  37           HA       SER  37   7.746  12.028   4.800
  267   1HB   SER  37          HB2       SER  37   5.760  13.953   3.583
  268   2HB   SER  37          HB3       SER  37   6.645  14.225   5.083
  269    HG   SER  37           HG       SER  37   7.448  14.902   2.746
  270    H    GLN  38           HN       GLN  38   4.668  10.974   3.662
  271    HA   GLN  38           HA       GLN  38   3.431  11.255   6.279
  272   1HB   GLN  38          HB2       GLN  38   2.357  10.138   3.685
  273   2HB   GLN  38          HB3       GLN  38   1.426  10.295   5.168
  274   1HG   GLN  38          HG2       GLN  38   1.889  12.760   5.084
  275   2HG   GLN  38          HG3       GLN  38   2.574  12.501   3.483
  276   1HE2  GLN  38          HE21      GLN  38   0.247  14.066   4.311
  277   2HE2  GLN  38          HE22      GLN  38  -1.088  13.443   3.410
  278    H    LEU  39           HN       LEU  39   5.362   9.002   4.705
  279    HA   LEU  39           HA       LEU  39   4.593   6.969   6.665
  280   1HB   LEU  39          HB2       LEU  39   4.986   6.440   3.723
  281   2HB   LEU  39          HB3       LEU  39   4.818   5.198   4.950
  282    HG   LEU  39           HG       LEU  39   2.712   7.247   4.253
  283   1HD1  LEU  39          HD11      LEU  39   3.271   5.419   2.559
  284   2HD1  LEU  39          HD12      LEU  39   2.585   4.299   3.736
  285   3HD1  LEU  39          HD13      LEU  39   1.587   5.590   3.061
  286   1HD2  LEU  39          HD21      LEU  39   2.608   4.854   6.078
  287   2HD2  LEU  39          HD22      LEU  39   2.615   6.538   6.590
  288   3HD2  LEU  39          HD23      LEU  39   1.251   5.902   5.670
  289    H    TYR  40           HN       TYR  40   6.934   7.112   3.947
  290    HA   TYR  40           HA       TYR  40   9.016   6.488   5.932
  291   1HB   TYR  40          HB2       TYR  40  10.269   5.713   3.738
  292   2HB   TYR  40          HB3       TYR  40   9.154   4.656   4.579
  293    HD1  TYR  40           HD1      TYR  40   8.021   3.325   3.054
  294    HD2  TYR  40           HD2      TYR  40   8.672   7.425   2.112
  295    HE1  TYR  40           HE1      TYR  40   6.700   3.059   1.004
  296    HE2  TYR  40           HE2      TYR  40   7.354   7.164   0.060
  297    HH   TYR  40           HH       TYR  40   5.387   4.490  -0.537
  298    HA   PRO  41           HA       PRO  41  10.043  10.732   4.362
  299   1HB   PRO  41          HB2       PRO  41  11.064  11.582   6.750
  300   2HB   PRO  41          HB3       PRO  41   9.359  11.728   6.308
  301   1HG   PRO  41          HG2       PRO  41  10.707   9.668   8.012
  302   2HG   PRO  41          HG3       PRO  41   9.158  10.495   8.267
  303   1HD   PRO  41          HD2       PRO  41   9.296   7.981   7.303
  304   2HD   PRO  41          HD3       PRO  41   8.035   9.120   6.787
  305    H    GLU  42           HN       GLU  42  11.655   8.008   5.426
  306    HA   GLU  42           HA       GLU  42  14.320   9.086   5.504
  307   1HB   GLU  42          HB2       GLU  42  14.981   6.656   5.558
  308   2HB   GLU  42          HB3       GLU  42  13.920   7.172   6.862
  309   1HG   GLU  42          HG2       GLU  42  12.224   6.296   4.824
  310   2HG   GLU  42          HG3       GLU  42  13.535   5.120   4.892
  311    H    VAL  43           HN       VAL  43  12.453   7.091   3.217
  312    HA   VAL  43           HA       VAL  43  14.593   7.290   1.258
  313    HB   VAL  43           HB       VAL  43  13.436   5.145   1.463
  314   1HG1  VAL  43          HG11      VAL  43  11.133   4.845   0.908
  315   2HG1  VAL  43          HG12      VAL  43  11.239   6.106   2.136
  316   3HG1  VAL  43          HG13      VAL  43  10.973   6.541   0.447
  317   1HG2  VAL  43          HG21      VAL  43  12.828   6.509  -1.158
  318   2HG2  VAL  43          HG22      VAL  43  14.376   5.793  -0.708
  319   3HG2  VAL  43          HG23      VAL  43  12.952   4.770  -0.893
  320    HA   PRO  44           HA       PRO  44  12.940  11.049  -0.501
  321   1HB   PRO  44          HB2       PRO  44  14.069  10.718  -3.012
  322   2HB   PRO  44          HB3       PRO  44  14.877  11.454  -1.625
  323   1HG   PRO  44          HG2       PRO  44  15.062   8.657  -2.664
  324   2HG   PRO  44          HG3       PRO  44  16.346   9.707  -2.034
  325   1HD   PRO  44          HD2       PRO  44  15.313   7.748  -0.543
  326   2HD   PRO  44          HD3       PRO  44  15.747   9.313   0.180
  327    HA   PRO  45           HA       PRO  45   9.384   9.813  -2.834
  328   1HB   PRO  45          HB2       PRO  45   9.493  12.339  -4.329
  329   2HB   PRO  45          HB3       PRO  45   8.290  11.777  -3.168
  330   1HG   PRO  45          HG2       PRO  45   9.977  13.769  -2.569
  331   2HG   PRO  45          HG3       PRO  45   9.472  12.582  -1.347
  332   1HD   PRO  45          HD2       PRO  45  12.011  12.681  -2.949
  333   2HD   PRO  45          HD3       PRO  45  11.797  12.399  -1.206
  334    H    GLU  46           HN       GLU  46  12.159   9.332  -4.029
  335    HA   GLU  46           HA       GLU  46  11.237   8.961  -6.792
  336   1HB   GLU  46          HB2       GLU  46  12.786  10.900  -6.672
  337   2HB   GLU  46          HB3       GLU  46  14.021   9.841  -6.006
  338   1HG   GLU  46          HG2       GLU  46  13.905   8.489  -8.083
  339   2HG   GLU  46          HG3       GLU  46  12.783   9.679  -8.744
  340    H    GLU  47           HN       GLU  47  13.304   7.932  -4.144
  341    HA   GLU  47           HA       GLU  47  14.134   5.530  -5.544
  342   1HB   GLU  47          HB2       GLU  47  14.676   6.518  -2.741
  343   2HB   GLU  47          HB3       GLU  47  15.314   5.015  -3.395
  344   1HG   GLU  47          HG2       GLU  47  16.404   6.356  -5.199
  345   2HG   GLU  47          HG3       GLU  47  15.907   7.809  -4.333
  346    H    PHE  48           HN       PHE  48  11.310   6.326  -4.322
  347    HA   PHE  48           HA       PHE  48  10.771   4.094  -2.592
  348   1HB   PHE  48          HB2       PHE  48   8.532   4.915  -2.485
  349   2HB   PHE  48          HB3       PHE  48   9.590   6.322  -2.475
  350    HD1  PHE  48           HD1      PHE  48  10.027   7.425  -4.797
  351    HD2  PHE  48           HD2      PHE  48   6.760   4.835  -3.949
  352    HE1  PHE  48           HE1      PHE  48   8.796   8.355  -6.714
  353    HE2  PHE  48           HE2      PHE  48   5.523   5.760  -5.863
  354    HZ   PHE  48           HZ       PHE  48   6.542   7.522  -7.250
  355    H    ARG  49           HN       ARG  49  10.571   4.767  -5.987
  356    HA   ARG  49           HA       ARG  49   8.679   2.892  -6.791
  357   1HB   ARG  49          HB2       ARG  49  10.053   4.750  -8.098
  358   2HB   ARG  49          HB3       ARG  49  11.040   3.362  -8.539
  359   1HG   ARG  49          HG2       ARG  49   9.409   3.711 -10.248
  360   2HG   ARG  49          HG3       ARG  49   8.991   2.237  -9.372
  361   1HD   ARG  49          HD2       ARG  49   7.401   3.606  -8.006
  362   2HD   ARG  49          HD3       ARG  49   7.731   4.961  -9.085
  363    HE   ARG  49           HE       ARG  49   6.982   2.888 -10.724
  364   1HH1  ARG  49          HH12      ARG  49   5.558   4.627  -8.061
  365   2HH1  ARG  49          HH11      ARG  49   3.933   4.401  -8.616
  366   1HH2  ARG  49          HH22      ARG  49   4.845   2.586 -11.460
  367   2HH2  ARG  49          HH21      ARG  49   3.528   3.244 -10.549
  368    HA   PRO  50           HA       PRO  50  12.400  -0.249  -7.530
  369   1HB   PRO  50          HB2       PRO  50  14.304   0.038  -5.511
  370   2HB   PRO  50          HB3       PRO  50  14.507   0.521  -7.197
  371   1HG   PRO  50          HG2       PRO  50  13.774   2.170  -4.825
  372   2HG   PRO  50          HG3       PRO  50  14.786   2.591  -6.218
  373   1HD   PRO  50          HD2       PRO  50  12.278   3.500  -5.990
  374   2HD   PRO  50          HD3       PRO  50  12.955   3.047  -7.568
  375    H    PHE  51           HN       PHE  51  11.610   0.947  -4.288
  376    HA   PHE  51           HA       PHE  51  11.435  -1.770  -3.272
  377   1HB   PHE  51          HB2       PHE  51  11.853   0.791  -2.107
  378   2HB   PHE  51          HB3       PHE  51  10.375   0.127  -1.416
  379    HD1  PHE  51           HD1      PHE  51  10.430  -1.694   0.096
  380    HD2  PHE  51           HD2      PHE  51  13.983  -0.455  -1.895
  381    HE1  PHE  51           HE1      PHE  51  11.766  -3.100   1.611
  382    HE2  PHE  51           HE2      PHE  51  15.324  -1.861  -0.384
  383    HZ   PHE  51           HZ       PHE  51  14.217  -3.209   1.347
  384    H    LEU  52           HN       LEU  52   9.436   0.556  -4.725
  385    HA   LEU  52           HA       LEU  52   6.962  -0.434  -3.629
  386   1HB   LEU  52          HB2       LEU  52   7.496   1.965  -4.481
  387   2HB   LEU  52          HB3       LEU  52   7.176   1.297  -6.069
  388    HG   LEU  52           HG       LEU  52   4.911   0.651  -5.304
  389   1HD1  LEU  52          HD11      LEU  52   5.507   2.297  -2.858
  390   2HD1  LEU  52          HD12      LEU  52   4.040   1.389  -3.222
  391   3HD1  LEU  52          HD13      LEU  52   5.543   0.534  -2.881
  392   1HD2  LEU  52          HD21      LEU  52   5.239   2.734  -6.502
  393   2HD2  LEU  52          HD22      LEU  52   3.997   2.930  -5.265
  394   3HD2  LEU  52          HD23      LEU  52   5.622   3.563  -4.994
  395    H    ALA  53           HN       ALA  53   9.107  -1.335  -6.084
  396    HA   ALA  53           HA       ALA  53   7.430  -2.305  -8.089
  397   1HB   ALA  53          HB1       ALA  53   9.264  -3.807  -8.686
  398   2HB   ALA  53          HB2       ALA  53   9.866  -2.191  -8.315
  399   3HB   ALA  53          HB3       ALA  53  10.039  -3.489  -7.133
  400    H    LYS  54           HN       LYS  54   7.911  -3.337  -4.886
  401    HA   LYS  54           HA       LYS  54   6.424  -5.830  -5.373
  402   1HB   LYS  54          HB2       LYS  54   8.134  -5.185  -2.968
  403   2HB   LYS  54          HB3       LYS  54   7.447  -6.745  -3.400
  404   1HG   LYS  54          HG2       LYS  54   9.075  -7.204  -4.894
  405   2HG   LYS  54          HG3       LYS  54   9.253  -5.519  -5.387
  406   1HD   LYS  54          HD2       LYS  54  11.259  -6.217  -4.252
  407   2HD   LYS  54          HD3       LYS  54  10.399  -5.063  -3.232
  408   1HE   LYS  54          HE2       LYS  54   9.415  -7.004  -2.004
  409   2HE   LYS  54          HE3       LYS  54  10.468  -8.061  -2.941
  410   1HZ   LYS  54          HZ1       LYS  54  11.457  -7.576  -0.816
  411   2HZ   LYS  54          HZ2       LYS  54  11.345  -5.911  -1.091
  412   3HZ   LYS  54          HZ3       LYS  54  12.381  -6.855  -2.037
  413    H    MET  55           HN       MET  55   6.126  -2.736  -4.308
  414    HA   MET  55           HA       MET  55   3.896  -3.403  -2.502
  415   1HB   MET  55          HB2       MET  55   5.914  -1.159  -2.308
  416   2HB   MET  55          HB3       MET  55   4.410  -1.182  -1.391
  417   1HG   MET  55          HG2       MET  55   6.310  -3.484  -1.234
  418   2HG   MET  55          HG3       MET  55   6.585  -2.024  -0.288
  419   1HE   MET  55          HE1       MET  55   5.157  -4.954   2.049
  420   2HE   MET  55          HE2       MET  55   6.017  -5.214   0.531
  421   3HE   MET  55          HE3       MET  55   6.592  -4.000   1.675
  422    H    ARG  56           HN       ARG  56   4.049  -2.777  -5.475
  423    HA   ARG  56           HA       ARG  56   2.275  -0.425  -5.443
  424   1HB   ARG  56          HB2       ARG  56   3.093   0.299  -7.471
  425   2HB   ARG  56          HB3       ARG  56   4.538  -0.405  -6.764
  426   1HG   ARG  56          HG2       ARG  56   2.733  -1.776  -8.744
  427   2HG   ARG  56          HG3       ARG  56   4.258  -0.980  -9.130
  428   1HD   ARG  56          HD2       ARG  56   5.460  -2.546  -7.722
  429   2HD   ARG  56          HD3       ARG  56   3.946  -3.310  -7.241
  430    HE   ARG  56           HE       ARG  56   4.729  -3.291 -10.069
  431   1HH1  ARG  56          HH12      ARG  56   4.078  -5.028  -7.121
  432   2HH1  ARG  56          HH11      ARG  56   4.031  -6.577  -7.892
  433   1HH2  ARG  56          HH22      ARG  56   4.669  -5.326 -11.094
  434   2HH2  ARG  56          HH21      ARG  56   4.368  -6.747 -10.151
  435    H    GLY  57           HN       GLY  57   2.594  -3.754  -6.291
  436   1HA   GLY  57          HA1       GLY  57   0.614  -4.064  -8.221
  437   2HA   GLY  57          HA2       GLY  57   1.058  -5.289  -7.039
  438    H    ILE  58           HN       ILE  58   0.312  -3.503  -4.800
  439    HA   ILE  58           HA       ILE  58  -2.486  -4.196  -4.719
  440    HB   ILE  58           HB       ILE  58  -0.797  -2.812  -2.636
  441   1HG1  ILE  58          HG12      ILE  58  -1.175  -5.346  -1.742
  442   2HG1  ILE  58          HG13      ILE  58  -1.055  -5.629  -3.470
  443   1HG2  ILE  58          HG21      ILE  58  -2.529  -3.596  -1.076
  444   2HG2  ILE  58          HG22      ILE  58  -3.176  -2.485  -2.284
  445   3HG2  ILE  58          HG23      ILE  58  -3.458  -4.220  -2.439
  446   1HD1  ILE  58          HD11      ILE  58   1.112  -5.873  -2.524
  447   2HD1  ILE  58          HD12      ILE  58   1.097  -4.372  -3.448
  448   3HD1  ILE  58          HD13      ILE  58   0.983  -4.326  -1.688
  449    H    LEU  59           HN       LEU  59  -0.492  -1.295  -4.816
  450    HA   LEU  59           HA       LEU  59  -2.485   0.609  -4.321
  451   1HB   LEU  59          HB2       LEU  59  -0.048   1.066  -4.333
  452   2HB   LEU  59          HB3       LEU  59  -0.035   0.879  -6.073
  453    HG   LEU  59           HG       LEU  59  -0.023   3.254  -5.127
  454   1HD1  LEU  59          HD11      LEU  59  -0.501   2.614  -7.492
  455   2HD1  LEU  59          HD12      LEU  59  -2.216   2.638  -7.090
  456   3HD1  LEU  59          HD13      LEU  59  -1.261   4.115  -6.964
  457   1HD2  LEU  59          HD21      LEU  59  -2.947   2.632  -4.728
  458   2HD2  LEU  59          HD22      LEU  59  -1.771   2.927  -3.445
  459   3HD2  LEU  59          HD23      LEU  59  -2.186   4.216  -4.575
  460    H    LYS  60           HN       LYS  60  -1.341  -0.834  -7.341
  461    HA   LYS  60           HA       LYS  60  -3.059   0.640  -9.047
  462   1HB   LYS  60          HB2       LYS  60  -1.064  -0.398  -9.925
  463   2HB   LYS  60          HB3       LYS  60  -1.610  -1.988  -9.416
  464   1HG   LYS  60          HG2       LYS  60  -3.351  -0.498 -11.288
  465   2HG   LYS  60          HG3       LYS  60  -1.827  -1.121 -11.917
  466   1HD   LYS  60          HD2       LYS  60  -3.860  -2.787 -10.435
  467   2HD   LYS  60          HD3       LYS  60  -3.757  -2.679 -12.193
  468   1HE   LYS  60          HE2       LYS  60  -1.578  -3.657 -10.350
  469   2HE   LYS  60          HE3       LYS  60  -2.623  -4.675 -11.341
  470   1HZ   LYS  60          HZ1       LYS  60  -0.677  -2.666 -12.343
  471   2HZ   LYS  60          HZ2       LYS  60  -1.712  -3.583 -13.316
  472   3HZ   LYS  60          HZ3       LYS  60  -0.502  -4.348 -12.414
  473    H    SER  61           HN       SER  61  -3.349  -2.411  -7.343
  474    HA   SER  61           HA       SER  61  -5.652  -3.398  -8.600
  475   1HB   SER  61          HB2       SER  61  -4.575  -3.829  -5.808
  476   2HB   SER  61          HB3       SER  61  -5.933  -4.731  -6.484
  477    HG   SER  61           HG       SER  61  -3.872  -5.782  -6.727
  478    H    ILE  62           HN       ILE  62  -5.300  -1.375  -5.697
  479    HA   ILE  62           HA       ILE  62  -8.169  -1.220  -5.354
  480    HB   ILE  62           HB       ILE  62  -5.898   0.113  -3.882
  481   1HG1  ILE  62          HG12      ILE  62  -7.842  -2.000  -2.945
  482   2HG1  ILE  62          HG13      ILE  62  -6.268  -2.379  -3.636
  483   1HG2  ILE  62          HG21      ILE  62  -7.604   0.788  -2.223
  484   2HG2  ILE  62          HG22      ILE  62  -7.807   1.586  -3.780
  485   3HG2  ILE  62          HG23      ILE  62  -8.861   0.245  -3.332
  486   1HD1  ILE  62          HD11      ILE  62  -6.764  -0.773  -1.140
  487   2HD1  ILE  62          HD12      ILE  62  -6.204  -2.443  -1.214
  488   3HD1  ILE  62          HD13      ILE  62  -5.185  -1.144  -1.829
  489    H    ALA  63           HN       ALA  63  -5.641   0.807  -6.706
  490    HA   ALA  63           HA       ALA  63  -7.352   3.132  -6.833
  491   1HB   ALA  63          HB1       ALA  63  -5.463   4.234  -7.897
  492   2HB   ALA  63          HB2       ALA  63  -4.964   3.396  -6.429
  493   3HB   ALA  63          HB3       ALA  63  -4.615   2.692  -8.007
  494    H    SER  64           HN       SER  64  -5.624   1.282  -9.351
  495    HA   SER  64           HA       SER  64  -7.153   2.449 -11.451
  496   1HB   SER  64          HB2       SER  64  -4.858   1.703 -11.811
  497   2HB   SER  64          HB3       SER  64  -5.332   0.039 -11.474
  498    HG   SER  64           HG       SER  64  -5.230   0.536 -13.731
  499    H    ALA  65           HN       ALA  65  -7.518  -0.474  -9.557
  500    HA   ALA  65           HA       ALA  65  -9.731  -1.277 -11.332
  501   1HB   ALA  65          HB1       ALA  65  -9.438  -3.550 -10.416
  502   2HB   ALA  65          HB2       ALA  65  -8.008  -2.951 -11.256
  503   3HB   ALA  65          HB3       ALA  65  -8.052  -2.968  -9.494
  504    H    ASP  66           HN       ASP  66  -8.810  -0.767  -7.966
  505    HA   ASP  66           HA       ASP  66 -10.026  -0.567  -6.056
  506   1HB   ASP  66          HB2       ASP  66 -11.069   1.283  -7.313
  507   2HB   ASP  66          HB3       ASP  66 -12.260   0.161  -7.965
  508    H    MET  67           HN       MET  67  -9.863  -2.801  -5.621
  509    HA   MET  67           HA       MET  67 -11.983  -4.580  -6.460
  510   1HB   MET  67          HB2       MET  67  -9.683  -5.044  -4.555
  511   2HB   MET  67          HB3       MET  67 -10.738  -6.284  -5.217
  512   1HG   MET  67          HG2       MET  67  -8.942  -4.510  -6.854
  513   2HG   MET  67          HG3       MET  67  -8.543  -6.146  -6.336
  514   1HE   MET  67          HE1       MET  67  -8.104  -6.955  -8.866
  515   2HE   MET  67          HE2       MET  67  -9.203  -6.552 -10.185
  516   3HE   MET  67          HE3       MET  67  -8.363  -5.268  -9.313
  517    H    ASP  68           HN       ASP  68 -12.787  -6.106  -4.580
  518    HA   ASP  68           HA       ASP  68 -14.159  -4.343  -2.712
  519   1HB   ASP  68          HB2       ASP  68 -14.580  -7.283  -3.290
  520   2HB   ASP  68          HB3       ASP  68 -15.602  -6.282  -2.263
  521    H    PHE  69           HN       PHE  69 -13.199  -7.706  -2.139
  522    HA   PHE  69           HA       PHE  69 -11.264  -7.010  -0.141
  523   1HB   PHE  69          HB2       PHE  69 -12.540  -8.102   1.736
  524   2HB   PHE  69          HB3       PHE  69 -13.174  -6.546   1.216
  525    HD1  PHE  69           HD1      PHE  69 -13.810 -10.097   1.522
  526    HD2  PHE  69           HD2      PHE  69 -15.253  -6.438  -0.103
  527    HE1  PHE  69           HE1      PHE  69 -16.023 -11.121   1.193
  528    HE2  PHE  69           HE2      PHE  69 -17.470  -7.455  -0.432
  529    HZ   PHE  69           HZ       PHE  69 -17.860  -9.792   0.222
  530    H    ASN  70           HN       ASN  70 -13.435  -9.534  -1.374
  531    HA   ASN  70           HA       ASN  70 -11.845 -11.714  -0.517
  532   1HB   ASN  70          HB2       ASN  70 -14.154 -12.107  -1.028
  533   2HB   ASN  70          HB3       ASN  70 -13.957 -11.486  -2.665
  534   1HD2  ASN  70          HD21      ASN  70 -12.970 -12.757  -4.218
  535   2HD2  ASN  70          HD22      ASN  70 -12.717 -14.453  -4.002
  536    H    GLN  71           HN       GLN  71 -12.027  -9.922  -3.563
  537    HA   GLN  71           HA       GLN  71 -10.303 -11.545  -5.060
  538   1HB   GLN  71          HB2       GLN  71 -10.697  -8.558  -5.311
  539   2HB   GLN  71          HB3       GLN  71 -10.054  -9.629  -6.548
  540   1HG   GLN  71          HG2       GLN  71 -12.228 -10.822  -6.570
  541   2HG   GLN  71          HG3       GLN  71 -12.852  -9.617  -5.445
  542   1HE2  GLN  71          HE21      GLN  71 -13.212  -7.516  -6.164
  543   2HE2  GLN  71          HE22      GLN  71 -13.292  -7.121  -7.845
  544    H    LEU  72           HN       LEU  72  -9.595  -8.561  -3.241
  545    HA   LEU  72           HA       LEU  72  -6.854  -8.494  -3.705
  546   1HB   LEU  72          HB2       LEU  72  -8.745  -7.124  -2.074
  547   2HB   LEU  72          HB3       LEU  72  -7.357  -7.515  -1.095
  548    HG   LEU  72           HG       LEU  72  -5.968  -6.212  -2.380
  549   1HD1  LEU  72          HD11      LEU  72  -8.052  -6.347  -4.511
  550   2HD1  LEU  72          HD12      LEU  72  -6.775  -5.130  -4.539
  551   3HD1  LEU  72          HD13      LEU  72  -6.362  -6.844  -4.594
  552   1HD2  LEU  72          HD21      LEU  72  -6.927  -4.042  -2.334
  553   2HD2  LEU  72          HD22      LEU  72  -8.552  -4.712  -2.480
  554   3HD2  LEU  72          HD23      LEU  72  -7.621  -4.970  -1.005
  555    H    GLU  73           HN       GLU  73  -8.697 -10.152  -1.182
  556    HA   GLU  73           HA       GLU  73  -6.603 -10.952   0.457
  557   1HB   GLU  73          HB2       GLU  73  -8.965 -11.276   1.033
  558   2HB   GLU  73          HB3       GLU  73  -9.113 -12.495  -0.228
  559   1HG   GLU  73          HG2       GLU  73  -8.907 -13.568   1.909
  560   2HG   GLU  73          HG3       GLU  73  -7.458 -13.881   0.954
  561    H    ALA  74           HN       ALA  74  -7.611 -12.150  -2.652
  562    HA   ALA  74           HA       ALA  74  -5.944 -14.509  -2.524
  563   1HB   ALA  74          HB1       ALA  74  -6.675 -14.909  -4.810
  564   2HB   ALA  74          HB2       ALA  74  -8.055 -14.535  -3.779
  565   3HB   ALA  74          HB3       ALA  74  -7.412 -13.309  -4.872
  566    H    PHE  75           HN       PHE  75  -5.729 -11.240  -3.672
  567    HA   PHE  75           HA       PHE  75  -3.465 -11.622  -5.368
  568   1HB   PHE  75          HB2       PHE  75  -5.022  -9.725  -5.632
  569   2HB   PHE  75          HB3       PHE  75  -4.507  -9.095  -4.072
  570    HD1  PHE  75           HD1      PHE  75  -2.517  -7.843  -3.849
  571    HD2  PHE  75           HD2      PHE  75  -3.426  -9.784  -7.525
  572    HE1  PHE  75           HE1      PHE  75  -0.705  -6.595  -4.950
  573    HE2  PHE  75           HE2      PHE  75  -1.613  -8.540  -8.634
  574    HZ   PHE  75           HZ       PHE  75  -0.252  -6.940  -7.345
  575    H    LEU  76           HN       LEU  76  -3.949 -10.665  -2.019
  576    HA   LEU  76           HA       LEU  76  -1.352  -9.867  -1.374
  577   1HB   LEU  76          HB2       LEU  76  -3.680  -9.962  -0.038
  578   2HB   LEU  76          HB3       LEU  76  -2.915 -11.381   0.647
  579    HG   LEU  76           HG       LEU  76  -2.600  -9.377   2.039
  580   1HD1  LEU  76          HD11      LEU  76  -0.934 -11.195   2.036
  581   2HD1  LEU  76          HD12      LEU  76  -0.021 -10.321   0.807
  582   3HD1  LEU  76          HD13      LEU  76  -0.236  -9.620   2.410
  583   1HD2  LEU  76          HD21      LEU  76  -0.738  -8.246   0.007
  584   2HD2  LEU  76          HD22      LEU  76  -2.463  -7.904  -0.115
  585   3HD2  LEU  76          HD23      LEU  76  -1.575  -7.448   1.337
  586    H    THR  77           HN       THR  77  -2.735 -12.998  -1.853
  587    HA   THR  77           HA       THR  77  -0.524 -14.423  -0.634
  588    HB   THR  77           HB       THR  77  -2.850 -15.479  -2.261
  589    HG1  THR  77           HG1      THR  77  -3.083 -16.169   0.254
  590   1HG2  THR  77          HG21      THR  77  -2.275 -17.644  -1.206
  591   2HG2  THR  77          HG22      THR  77  -0.832 -16.899  -0.517
  592   3HG2  THR  77          HG23      THR  77  -1.001 -17.045  -2.266
  593    H    ALA  78           HN       ALA  78  -1.449 -13.200  -3.702
  594    HA   ALA  78           HA       ALA  78   0.262 -14.929  -5.255
  595   1HB   ALA  78          HB1       ALA  78  -0.382 -13.439  -7.130
  596   2HB   ALA  78          HB2       ALA  78  -1.767 -14.107  -6.266
  597   3HB   ALA  78          HB3       ALA  78  -1.275 -12.438  -5.983
  598    H    GLN  79           HN       GLN  79   0.496 -11.892  -3.622
  599    HA   GLN  79           HA       GLN  79   2.873 -11.062  -5.045
  600   1HB   GLN  79          HB2       GLN  79   2.865  -9.170  -3.413
  601   2HB   GLN  79          HB3       GLN  79   1.392  -9.316  -4.355
  602   1HG   GLN  79          HG2       GLN  79   0.313 -10.438  -2.453
  603   2HG   GLN  79          HG3       GLN  79   1.780 -10.192  -1.508
  604   1HE2  GLN  79          HE21      GLN  79   2.347  -8.099  -0.886
  605   2HE2  GLN  79          HE22      GLN  79   1.208  -6.805  -0.884
  606    H    THR  80           HN       THR  80   2.278 -13.299  -2.737
  607    HA   THR  80           HA       THR  80   4.898 -12.918  -1.441
  608    HB   THR  80           HB       THR  80   4.070 -14.331   0.391
  609    HG1  THR  80           HG1      THR  80   1.423 -14.195  -0.294
  610   1HG2  THR  80          HG21      THR  80   2.436 -12.756   1.332
  611   2HG2  THR  80          HG22      THR  80   2.226 -12.027  -0.260
  612   3HG2  THR  80          HG23      THR  80   3.780 -11.911   0.566
  613    H    LYS  81           HN       LYS  81   3.440 -14.541  -3.845
  614    HA   LYS  81           HA       LYS  81   5.149 -16.917  -3.513
  615   1HB   LYS  81          HB2       LYS  81   2.416 -16.695  -4.781
  616   2HB   LYS  81          HB3       LYS  81   3.453 -18.105  -4.946
  617   1HG   LYS  81          HG2       LYS  81   3.380 -18.480  -2.557
  618   2HG   LYS  81          HG3       LYS  81   2.426 -17.012  -2.335
  619   1HD   LYS  81          HD2       LYS  81   0.593 -17.958  -3.584
  620   2HD   LYS  81          HD3       LYS  81   1.555 -19.385  -3.981
  621   1HE   LYS  81          HE2       LYS  81   1.661 -19.980  -1.617
  622   2HE   LYS  81          HE3       LYS  81   0.731 -18.540  -1.204
  623   1HZ   LYS  81          HZ1       LYS  81  -1.128 -19.416  -2.469
  624   2HZ   LYS  81          HZ2       LYS  81  -0.660 -20.518  -1.275
  625   3HZ   LYS  81          HZ3       LYS  81  -0.233 -20.791  -2.887
  626    H    LYS  82           HN       LYS  82   4.718 -14.117  -5.179
  627    HA   LYS  82           HA       LYS  82   5.245 -14.960  -7.851
  628   1HB   LYS  82          HB2       LYS  82   5.557 -12.616  -8.343
  629   2HB   LYS  82          HB3       LYS  82   4.159 -12.800  -7.290
  630   1HG   LYS  82          HG2       LYS  82   5.323 -11.954  -5.431
  631   2HG   LYS  82          HG3       LYS  82   6.883 -12.126  -6.233
  632   1HD   LYS  82          HD2       LYS  82   6.452  -9.841  -6.371
  633   2HD   LYS  82          HD3       LYS  82   5.949 -10.450  -7.948
  634   1HE   LYS  82          HE2       LYS  82   3.614 -10.572  -7.064
  635   2HE   LYS  82          HE3       LYS  82   4.185  -9.764  -5.604
  636   1HZ   LYS  82          HZ1       LYS  82   4.864  -7.879  -6.952
  637   2HZ   LYS  82          HZ2       LYS  82   3.216  -8.196  -7.161
  638   3HZ   LYS  82          HZ3       LYS  82   4.321  -8.653  -8.355
  639    H    GLN  83           HN       GLN  83   7.274 -13.243  -8.661
  640    HA   GLN  83           HA       GLN  83   9.618 -14.658  -7.624
  641   1HB   GLN  83          HB2       GLN  83   9.447 -12.895 -10.066
  642   2HB   GLN  83          HB3       GLN  83  10.717 -14.041  -9.662
  643   1HG   GLN  83          HG2       GLN  83   9.183 -15.893  -9.963
  644   2HG   GLN  83          HG3       GLN  83   7.864 -14.769 -10.291
  645   1HE2  GLN  83          HE21      GLN  83   9.575 -12.971 -11.832
  646   2HE2  GLN  83          HE22      GLN  83   9.835 -13.747 -13.354
  647    H    GLY  84           HN       GLY  84  10.884 -13.669  -6.196
  648   1HA   GLY  84          HA1       GLY  84  12.013 -12.025  -5.060
  649   2HA   GLY  84          HA2       GLY  84  11.868 -11.048  -6.514
  650    H    GLY  85           HN       GLY  85   8.947 -12.200  -5.113
  651   1HA   GLY  85          HA1       GLY  85   7.931  -9.598  -4.712
  652   2HA   GLY  85          HA2       GLY  85   7.173 -11.093  -4.187
  653    H    ILE  86           HN       ILE  86   6.515 -10.322  -2.214
  654    HA   ILE  86           HA       ILE  86   8.604  -9.397  -0.369
  655    HB   ILE  86           HB       ILE  86   6.843  -8.443   0.957
  656   1HG1  ILE  86          HG12      ILE  86   4.919  -9.704  -1.017
  657   2HG1  ILE  86          HG13      ILE  86   5.197 -10.278   0.622
  658   1HG2  ILE  86          HG21      ILE  86   6.557  -7.947  -2.004
  659   2HG2  ILE  86          HG22      ILE  86   5.815  -6.921  -0.770
  660   3HG2  ILE  86          HG23      ILE  86   7.571  -7.070  -0.858
  661   1HD1  ILE  86          HD11      ILE  86   4.345  -8.166   1.499
  662   2HD1  ILE  86          HD12      ILE  86   4.054  -7.607  -0.150
  663   3HD1  ILE  86          HD13      ILE  86   3.158  -8.988   0.484
  664    H    THR  87           HN       THR  87   8.084 -10.012   2.002
  665    HA   THR  87           HA       THR  87   7.849 -12.928   2.087
  666    HB   THR  87           HB       THR  87   8.846 -12.784   4.315
  667    HG1  THR  87           HG1      THR  87   9.389 -10.792   5.194
  668   1HG2  THR  87          HG21      THR  87  10.355 -12.898   2.406
  669   2HG2  THR  87          HG22      THR  87  11.050 -11.892   3.677
  670   3HG2  THR  87          HG23      THR  87  10.324 -11.141   2.256
  671    H    SER  88           HN       SER  88   7.113 -13.434   4.625
  672    HA   SER  88           HA       SER  88   4.302 -13.136   4.555
  673   1HB   SER  88          HB2       SER  88   4.374 -14.202   6.807
  674   2HB   SER  88          HB3       SER  88   5.308 -15.080   5.597
  675    HG   SER  88           HG       SER  88   6.310 -13.311   7.576
  676    H    ASP  89           HN       ASP  89   6.767 -11.727   6.699
  677    HA   ASP  89           HA       ASP  89   5.119 -10.208   8.323
  678   1HB   ASP  89          HB2       ASP  89   7.487 -10.462   8.795
  679   2HB   ASP  89          HB3       ASP  89   7.905  -9.569   7.336
  680    H    GLN  90           HN       GLN  90   6.591  -9.305   5.221
  681    HA   GLN  90           HA       GLN  90   5.492  -6.690   5.162
  682   1HB   GLN  90          HB2       GLN  90   6.618  -8.472   3.004
  683   2HB   GLN  90          HB3       GLN  90   6.065  -6.833   2.690
  684   1HG   GLN  90          HG2       GLN  90   7.697  -6.013   4.363
  685   2HG   GLN  90          HG3       GLN  90   8.293  -7.663   4.538
  686   1HE2  GLN  90          HE21      GLN  90   7.241  -6.290   1.502
  687   2HE2  GLN  90          HE22      GLN  90   8.799  -6.247   0.758
  688    H    ALA  91           HN       ALA  91   4.187  -9.780   4.551
  689    HA   ALA  91           HA       ALA  91   2.091  -8.880   2.777
  690   1HB   ALA  91          HB1       ALA  91   2.381 -11.529   4.184
  691   2HB   ALA  91          HB2       ALA  91   1.324 -11.165   2.822
  692   3HB   ALA  91          HB3       ALA  91   3.074 -11.140   2.610
  693    H    ALA  92           HN       ALA  92   2.423  -9.728   6.187
  694    HA   ALA  92           HA       ALA  92  -0.311  -9.726   6.848
  695   1HB   ALA  92          HB1       ALA  92   2.035  -9.066   8.624
  696   2HB   ALA  92          HB2       ALA  92   0.419  -9.533   9.157
  697   3HB   ALA  92          HB3       ALA  92   1.428 -10.687   8.284
  698    H    VAL  93           HN       VAL  93   1.957  -7.133   6.367
  699    HA   VAL  93           HA       VAL  93   0.324  -5.169   7.707
  700    HB   VAL  93           HB       VAL  93   3.004  -5.294   6.903
  701   1HG1  VAL  93          HG11      VAL  93   3.358  -3.226   5.660
  702   2HG1  VAL  93          HG12      VAL  93   2.416  -4.385   4.723
  703   3HG1  VAL  93          HG13      VAL  93   1.615  -3.022   5.499
  704   1HG2  VAL  93          HG21      VAL  93   1.578  -2.878   7.978
  705   2HG2  VAL  93          HG22      VAL  93   1.959  -4.301   8.949
  706   3HG2  VAL  93          HG23      VAL  93   3.258  -3.350   8.232
  707    H    ILE  94           HN       ILE  94   0.954  -6.158   4.374
  708    HA   ILE  94           HA       ILE  94  -0.637  -4.042   3.246
  709    HB   ILE  94           HB       ILE  94   0.211  -6.598   1.885
  710   1HG1  ILE  94          HG12      ILE  94   1.701  -3.965   1.935
  711   2HG1  ILE  94          HG13      ILE  94   2.139  -5.365   2.910
  712   1HG2  ILE  94          HG21      ILE  94  -0.477  -3.875   0.792
  713   2HG2  ILE  94          HG22      ILE  94   0.019  -5.278  -0.153
  714   3HG2  ILE  94          HG23      ILE  94  -1.509  -5.304   0.727
  715   1HD1  ILE  94          HD11      ILE  94   2.280  -5.011  -0.053
  716   2HD1  ILE  94          HD12      ILE  94   3.548  -5.481   1.077
  717   3HD1  ILE  94          HD13      ILE  94   2.261  -6.617   0.679
  718    H    SER  95           HN       SER  95  -1.175  -7.271   4.395
  719    HA   SER  95           HA       SER  95  -3.586  -7.888   3.097
  720   1HB   SER  95          HB2       SER  95  -2.296  -9.540   4.386
  721   2HB   SER  95          HB3       SER  95  -2.672  -8.677   5.878
  722    HG   SER  95           HG       SER  95  -4.482  -9.717   5.934
  723    H    LYS  96           HN       LYS  96  -2.857  -5.526   5.405
  724    HA   LYS  96           HA       LYS  96  -5.501  -5.330   6.544
  725   1HB   LYS  96          HB2       LYS  96  -3.413  -3.192   6.785
  726   2HB   LYS  96          HB3       LYS  96  -4.641  -3.688   7.944
  727   1HG   LYS  96          HG2       LYS  96  -2.404  -5.523   7.194
  728   2HG   LYS  96          HG3       LYS  96  -2.207  -4.283   8.437
  729   1HD   LYS  96          HD2       LYS  96  -4.601  -6.017   8.575
  730   2HD   LYS  96          HD3       LYS  96  -3.047  -6.734   9.013
  731   1HE   LYS  96          HE2       LYS  96  -2.716  -4.797  10.577
  732   2HE   LYS  96          HE3       LYS  96  -4.377  -4.320  10.230
  733   1HZ   LYS  96          HZ1       LYS  96  -4.271  -5.616  12.247
  734   2HZ   LYS  96          HZ2       LYS  96  -3.518  -6.894  11.436
  735   3HZ   LYS  96          HZ3       LYS  96  -5.114  -6.481  11.062
  736    H    PHE  97           HN       PHE  97  -4.363  -4.654   3.617
  737    HA   PHE  97           HA       PHE  97  -4.865  -2.072   2.956
  738   1HB   PHE  97          HB2       PHE  97  -5.603  -3.015   0.669
  739   2HB   PHE  97          HB3       PHE  97  -3.965  -3.298   1.234
  740    HD1  PHE  97           HD1      PHE  97  -4.149  -5.083  -0.688
  741    HD2  PHE  97           HD2      PHE  97  -6.280  -5.293   2.988
  742    HE1  PHE  97           HE1      PHE  97  -4.497  -7.493  -1.026
  743    HE2  PHE  97           HE2      PHE  97  -6.625  -7.702   2.656
  744    HZ   PHE  97           HZ       PHE  97  -5.576  -8.804   0.519
  745    H    TRP  98           HN       TRP  98  -7.343  -4.319   3.935
  746    HA   TRP  98           HA       TRP  98  -9.253  -2.165   3.433
  747   1HB   TRP  98          HB2       TRP  98 -10.984  -3.802   2.647
  748   2HB   TRP  98          HB3       TRP  98  -9.672  -3.493   1.522
  749    HD1  TRP  98           HD1      TRP  98  -8.592  -5.559   0.490
  750    HE1  TRP  98           HE1      TRP  98  -8.581  -8.079   0.997
  751    HE3  TRP  98           HE3      TRP  98 -11.181  -5.531   4.911
  752    HZ2  TRP  98           HZ2      TRP  98  -9.533  -9.823   2.986
  753    HZ3  TRP  98           HZ3      TRP  98 -11.591  -7.675   6.044
  754    HH2  TRP  98           HH2      TRP  98 -10.786  -9.777   5.099
  755    H    LYS  99           HN       LYS  99  -8.098  -4.564   5.506
  756    HA   LYS  99           HA       LYS  99 -10.540  -4.851   7.016
  757   1HB   LYS  99          HB2       LYS  99  -9.337  -6.282   8.461
  758   2HB   LYS  99          HB3       LYS  99  -8.727  -6.615   6.848
  759   1HG   LYS  99          HG2       LYS  99  -6.663  -6.124   7.456
  760   2HG   LYS  99          HG3       LYS  99  -7.160  -4.557   8.095
  761   1HD   LYS  99          HD2       LYS  99  -7.455  -7.161   9.585
  762   2HD   LYS  99          HD3       LYS  99  -6.083  -6.069   9.769
  763   1HE   LYS  99          HE2       LYS  99  -7.573  -4.298  10.519
  764   2HE   LYS  99          HE3       LYS  99  -8.965  -5.355  10.287
  765   1HZ   LYS  99          HZ1       LYS  99  -8.314  -5.287  12.601
  766   2HZ   LYS  99          HZ2       LYS  99  -6.745  -5.793  12.214
  767   3HZ   LYS  99          HZ3       LYS  99  -8.054  -6.840  11.977
  768    H    SER 100           HN       SER 100  -8.079  -2.559   6.804
  769    HA   SER 100           HA       SER 100  -8.238  -1.648   9.545
  770   1HB   SER 100          HB2       SER 100  -6.691   0.121   8.810
  771   2HB   SER 100          HB3       SER 100  -6.116  -1.472   8.324
  772    HG   SER 100           HG       SER 100  -6.904  -1.058   6.238
  773    H    HIS 101           HN       HIS 101  -9.972  -1.123   6.651
  774    HA   HIS 101           HA       HIS 101 -11.339   1.154   7.908
  775   1HB   HIS 101          HB2       HIS 101 -10.399   0.960   5.049
  776   2HB   HIS 101          HB3       HIS 101 -11.620   2.113   5.575
  777    HD1  HIS 101           HD1      HIS 101 -10.820   4.011   7.204
  778    HD2  HIS 101           HD2      HIS 101  -7.786   1.636   5.649
  779    HE1  HIS 101           HE1      HIS 101  -8.688   5.263   7.660
  780    HE2  HIS 101           HE2      HIS 101  -6.883   3.877   6.576
  781    H    LYS 102           HN       LYS 102 -12.080  -1.651   7.844
  782    HA   LYS 102           HA       LYS 102 -14.736  -1.310   6.703
  783   1HB   LYS 102          HB2       LYS 102 -13.194  -2.434   4.987
  784   2HB   LYS 102          HB3       LYS 102 -13.195  -3.820   6.069
  785   1HG   LYS 102          HG2       LYS 102 -15.630  -3.974   5.866
  786   2HG   LYS 102          HG3       LYS 102 -15.619  -2.590   4.771
  787   1HD   LYS 102          HD2       LYS 102 -14.170  -5.190   4.275
  788   2HD   LYS 102          HD3       LYS 102 -15.743  -4.771   3.596
  789   1HE   LYS 102          HE2       LYS 102 -13.145  -3.309   3.133
  790   2HE   LYS 102          HE3       LYS 102 -13.974  -4.354   1.981
  791   1HZ   LYS 102          HZ1       LYS 102 -15.843  -2.807   1.999
  792   2HZ   LYS 102          HZ2       LYS 102 -14.417  -2.039   1.512
  793   3HZ   LYS 102          HZ3       LYS 102 -15.017  -1.796   3.075
  794    H    THR 103           HN       THR 103 -13.424  -1.558   9.369
  795    HA   THR 103           HA       THR 103 -14.815  -3.965  10.348
  796    HB   THR 103           HB       THR 103 -13.365  -3.678  12.402
  797    HG1  THR 103           HG1      THR 103 -12.605  -1.606  12.183
  798   1HG2  THR 103          HG21      THR 103 -11.954  -4.193   9.781
  799   2HG2  THR 103          HG22      THR 103 -12.893  -5.372  10.697
  800   3HG2  THR 103          HG23      THR 103 -11.401  -4.715  11.371
  801    H    LYS 104           HN       LYS 104 -13.889  -0.723  11.519
  802    HA   LYS 104           HA       LYS 104 -16.610  -0.376  12.546
  803   1HB   LYS 104          HB2       LYS 104 -14.086   0.010  14.167
  804   2HB   LYS 104          HB3       LYS 104 -15.688   0.523  14.679
  805   1HG   LYS 104          HG2       LYS 104 -16.416  -1.631  15.025
  806   2HG   LYS 104          HG3       LYS 104 -15.221  -2.326  13.932
  807   1HD   LYS 104          HD2       LYS 104 -14.580  -2.891  16.162
  808   2HD   LYS 104          HD3       LYS 104 -13.454  -1.666  15.575
  809   1HE   LYS 104          HE2       LYS 104 -14.660   0.056  16.792
  810   2HE   LYS 104          HE3       LYS 104 -15.853  -1.128  17.326
  811   1HZ   LYS 104          HZ1       LYS 104 -14.226  -0.684  19.049
  812   2HZ   LYS 104          HZ2       LYS 104 -12.964  -1.143  18.020
  813   3HZ   LYS 104          HZ3       LYS 104 -14.103  -2.289  18.526
  814    H    ILE 105           HN       ILE 105 -14.839   0.717  10.347
  815    HA   ILE 105           HA       ILE 105 -14.853   3.561  11.103
  816    HB   ILE 105           HB       ILE 105 -13.473   2.261   8.749
  817   1HG1  ILE 105          HG12      ILE 105 -11.407   3.022  10.153
  818   2HG1  ILE 105          HG13      ILE 105 -12.530   2.990  11.508
  819   1HG2  ILE 105          HG21      ILE 105 -14.024   4.541   8.267
  820   2HG2  ILE 105          HG22      ILE 105 -13.410   5.069   9.834
  821   3HG2  ILE 105          HG23      ILE 105 -12.297   4.450   8.614
  822   1HD1  ILE 105          HD11      ILE 105 -12.983   0.635  11.084
  823   2HD1  ILE 105          HD12      ILE 105 -11.878   0.665   9.710
  824   3HD1  ILE 105          HD13      ILE 105 -11.263   0.923  11.343
  825    H    ARG 106           HN       ARG 106 -15.577   1.452   8.323
  826    HA   ARG 106           HA       ARG 106 -17.194   3.472   7.059
  827   1HB   ARG 106          HB2       ARG 106 -15.840   1.784   5.800
  828   2HB   ARG 106          HB3       ARG 106 -16.941   0.538   6.369
  829   1HG   ARG 106          HG2       ARG 106 -18.796   1.724   5.237
  830   2HG   ARG 106          HG3       ARG 106 -17.619   2.866   4.584
  831   1HD   ARG 106          HD2       ARG 106 -16.431   0.945   3.541
  832   2HD   ARG 106          HD3       ARG 106 -17.737  -0.105   4.088
  833    HE   ARG 106           HE       ARG 106 -19.030   1.813   2.686
  834   1HH1  ARG 106          HH12      ARG 106 -16.337  -0.279   1.968
  835   2HH1  ARG 106          HH11      ARG 106 -16.672  -0.340   0.270
  836   1HH2  ARG 106          HH22      ARG 106 -19.477   1.739   0.451
  837   2HH2  ARG 106          HH21      ARG 106 -18.453   0.808  -0.592
  838    H    GLU 107           HN       GLU 107 -17.683   0.754   9.162
  839    HA   GLU 107           HA       GLU 107 -20.595   0.947   8.854
  840   1HB   GLU 107          HB2       GLU 107 -18.810  -1.160  10.060
  841   2HB   GLU 107          HB3       GLU 107 -20.549  -1.152  10.311
  842   1HG   GLU 107          HG2       GLU 107 -19.951  -2.668   8.528
  843   2HG   GLU 107          HG3       GLU 107 -20.902  -1.322   7.903
  844    H    SER 108           HN       SER 108 -21.941   1.076  10.724
  845    HA   SER 108           HA       SER 108 -22.618   2.046  12.663
  846   1HB   SER 108          HB2       SER 108 -19.912   1.089  13.625
  847   2HB   SER 108          HB3       SER 108 -21.236   1.612  14.666
  848    HG   SER 108           HG       SER 108 -20.879  -0.776  14.020
  Start of MODEL    8
    1   1H    MET   1          H1        MET   1  17.354  -8.097  -1.915
    2   2H    MET   1          H2        MET   1  17.882  -9.701  -1.820
    3   3H    MET   1          H3        MET   1  17.804  -8.754  -0.421
    4    HA   MET   1           HA       MET   1  15.509  -9.644  -2.067
    5   1HB   MET   1          HB2       MET   1  16.526 -11.423  -0.697
    6   2HB   MET   1          HB3       MET   1  16.361 -10.415   0.733
    7   1HG   MET   1          HG2       MET   1  13.924 -10.455   0.464
    8   2HG   MET   1          HG3       MET   1  14.109 -11.498  -0.944
    9   1HE   MET   1          HE1       MET   1  12.251 -12.211   1.537
   10   2HE   MET   1          HE2       MET   1  12.441 -13.275   0.144
   11   3HE   MET   1          HE3       MET   1  12.636 -13.915   1.775
   12    H    ALA   2           HN       ALA   2  16.695  -7.724   0.628
   13    HA   ALA   2           HA       ALA   2  15.819  -5.969   1.772
   14   1HB   ALA   2          HB1       ALA   2  15.387  -5.077  -0.477
   15   2HB   ALA   2          HB2       ALA   2  13.802  -5.850  -0.466
   16   3HB   ALA   2          HB3       ALA   2  14.165  -4.568   0.689
   17    H    ALA   3           HN       ALA   3  14.993  -6.537   3.666
   18    HA   ALA   3           HA       ALA   3  12.375  -7.881   3.732
   19   1HB   ALA   3          HB1       ALA   3  12.985  -8.651   5.969
   20   2HB   ALA   3          HB2       ALA   3  14.190  -9.138   4.776
   21   3HB   ALA   3          HB3       ALA   3  14.515  -7.782   5.857
   22    H    GLY   4           HN       GLY   4  14.268  -5.269   5.200
   23   1HA   GLY   4          HA1       GLY   4  11.861  -3.728   5.613
   24   2HA   GLY   4          HA2       GLY   4  12.623  -4.264   7.103
   25    H    GLU   5           HN       GLU   5  13.689  -2.860   4.000
   26    HA   GLU   5           HA       GLU   5  15.705  -1.302   5.383
   27   1HB   GLU   5          HB2       GLU   5  14.990  -1.471   2.451
   28   2HB   GLU   5          HB3       GLU   5  16.343  -0.558   3.105
   29   1HG   GLU   5          HG2       GLU   5  17.304  -2.644   3.977
   30   2HG   GLU   5          HG3       GLU   5  15.970  -3.541   3.251
   31    H    LEU   6           HN       LEU   6  12.580  -0.898   5.275
   32    HA   LEU   6           HA       LEU   6  12.774   2.006   5.292
   33   1HB   LEU   6          HB2       LEU   6  10.402   1.802   4.047
   34   2HB   LEU   6          HB3       LEU   6  11.916   2.097   3.216
   35    HG   LEU   6           HG       LEU   6  12.081  -0.416   2.884
   36   1HD1  LEU   6          HD11      LEU   6   9.987  -1.673   2.984
   37   2HD1  LEU   6          HD12      LEU   6  10.477  -1.100   4.578
   38   3HD1  LEU   6          HD13      LEU   6   9.184  -0.278   3.704
   39   1HD2  LEU   6          HD21      LEU   6  11.557   0.413   0.879
   40   2HD2  LEU   6          HD22      LEU   6   9.921  -0.154   1.225
   41   3HD2  LEU   6          HD23      LEU   6  10.363   1.526   1.547
   42    H    GLU   7           HN       GLU   7  12.432   2.006   7.475
   43    HA   GLU   7           HA       GLU   7  11.280   2.033   9.431
   44   1HB   GLU   7          HB2       GLU   7   8.963   1.955   7.504
   45   2HB   GLU   7          HB3       GLU   7   8.745   2.079   9.243
   46   1HG   GLU   7          HG2       GLU   7  10.239   4.037   7.512
   47   2HG   GLU   7          HG3       GLU   7   8.605   4.247   8.142
   48    H    GLY   8           HN       GLY   8   8.976  -0.046   7.716
   49   1HA   GLY   8          HA1       GLY   8   9.973  -2.521   8.572
   50   2HA   GLY   8          HA2       GLY   8   8.829  -1.947   9.777
   51    H    GLY   9           HN       GLY   9   7.578  -3.851   9.205
   52   1HA   GLY   9          HA1       GLY   9   6.385  -3.931   6.564
   53   2HA   GLY   9          HA2       GLY   9   6.072  -5.046   7.886
   54    H    LYS  10           HN       LYS  10   5.648  -2.575   9.624
   55    HA   LYS  10           HA       LYS  10   2.842  -2.557   9.515
   56   1HB   LYS  10          HB2       LYS  10   4.143  -2.120  11.556
   57   2HB   LYS  10          HB3       LYS  10   4.683  -0.590  10.877
   58   1HG   LYS  10          HG2       LYS  10   2.367   0.202  10.831
   59   2HG   LYS  10          HG3       LYS  10   1.837  -1.328  11.531
   60   1HD   LYS  10          HD2       LYS  10   3.249  -0.879  13.506
   61   2HD   LYS  10          HD3       LYS  10   3.691   0.681  12.810
   62   1HE   LYS  10          HE2       LYS  10   0.904  -0.206  13.552
   63   2HE   LYS  10          HE3       LYS  10   1.909   0.915  14.467
   64   1HZ   LYS  10          HZ1       LYS  10   0.931   1.353  11.697
   65   2HZ   LYS  10          HZ2       LYS  10   1.872   2.434  12.595
   66   3HZ   LYS  10          HZ3       LYS  10   0.295   2.075  13.090
   67    HA   PRO  11           HA       PRO  11   3.363   1.997   7.704
   68   1HB   PRO  11          HB2       PRO  11   5.451   2.101   5.885
   69   2HB   PRO  11          HB3       PRO  11   5.486   2.772   7.518
   70   1HG   PRO  11          HG2       PRO  11   6.562   0.175   6.513
   71   2HG   PRO  11          HG3       PRO  11   7.248   1.293   7.705
   72   1HD   PRO  11          HD2       PRO  11   6.036  -0.969   8.455
   73   2HD   PRO  11          HD3       PRO  11   5.878   0.518   9.408
   74    H    LEU  12           HN       LEU  12   3.951  -1.037   6.084
   75    HA   LEU  12           HA       LEU  12   3.242  -0.278   3.471
   76   1HB   LEU  12          HB2       LEU  12   2.725  -2.966   4.694
   77   2HB   LEU  12          HB3       LEU  12   3.048  -2.600   3.014
   78    HG   LEU  12           HG       LEU  12   5.035  -2.296   5.253
   79   1HD1  LEU  12          HD11      LEU  12   4.434  -4.637   4.911
   80   2HD1  LEU  12          HD12      LEU  12   4.787  -4.478   3.190
   81   3HD1  LEU  12          HD13      LEU  12   6.083  -4.310   4.374
   82   1HD2  LEU  12          HD21      LEU  12   5.333  -0.830   3.247
   83   2HD2  LEU  12          HD22      LEU  12   6.664  -1.953   3.530
   84   3HD2  LEU  12          HD23      LEU  12   5.478  -2.291   2.268
   85    H    SER  13           HN       SER  13   1.384  -0.695   6.312
   86    HA   SER  13           HA       SER  13  -1.105  -1.381   5.138
   87   1HB   SER  13          HB2       SER  13  -2.071  -0.739   7.301
   88   2HB   SER  13          HB3       SER  13  -0.623  -1.720   7.531
   89    HG   SER  13           HG       SER  13  -1.124   0.729   8.445
   90    H    GLY  14           HN       GLY  14   0.022   1.728   6.491
   91   1HA   GLY  14          HA1       GLY  14  -2.105   3.159   5.157
   92   2HA   GLY  14          HA2       GLY  14  -0.840   3.860   6.159
   93    H    LEU  15           HN       LEU  15   0.360   1.750   3.828
   94    HA   LEU  15           HA       LEU  15   1.666   3.872   2.405
   95   1HB   LEU  15          HB2       LEU  15   2.120   1.169   2.879
   96   2HB   LEU  15          HB3       LEU  15   1.825   1.260   1.157
   97    HG   LEU  15           HG       LEU  15   4.229   1.401   1.776
   98   1HD1  LEU  15          HD11      LEU  15   3.136   3.883   0.471
   99   2HD1  LEU  15          HD12      LEU  15   4.755   3.213   0.278
  100   3HD1  LEU  15          HD13      LEU  15   3.357   2.324  -0.325
  101   1HD2  LEU  15          HD21      LEU  15   3.360   3.991   3.056
  102   2HD2  LEU  15          HD22      LEU  15   4.126   2.612   3.845
  103   3HD2  LEU  15          HD23      LEU  15   5.035   3.582   2.685
  104    H    LEU  16           HN       LEU  16  -0.693   1.351   1.498
  105    HA   LEU  16           HA       LEU  16  -1.075   2.091  -1.148
  106   1HB   LEU  16          HB2       LEU  16  -3.311   1.185   0.668
  107   2HB   LEU  16          HB3       LEU  16  -3.200   0.977  -1.066
  108    HG   LEU  16           HG       LEU  16  -2.738  -1.143  -0.325
  109   1HD1  LEU  16          HD11      LEU  16   0.004   0.106  -0.335
  110   2HD1  LEU  16          HD12      LEU  16  -0.374  -1.597  -0.596
  111   3HD1  LEU  16          HD13      LEU  16  -0.907  -0.386  -1.763
  112   1HD2  LEU  16          HD21      LEU  16  -2.577  -0.187   2.115
  113   2HD2  LEU  16          HD22      LEU  16  -1.917  -1.771   1.706
  114   3HD2  LEU  16          HD23      LEU  16  -0.847  -0.378   1.833
  115    H    ASN  17           HN       ASN  17  -1.871   3.667   1.743
  116    HA   ASN  17           HA       ASN  17  -3.896   5.413   0.662
  117   1HB   ASN  17          HB2       ASN  17  -4.145   4.845   2.955
  118   2HB   ASN  17          HB3       ASN  17  -2.457   5.212   3.305
  119   1HD2  ASN  17          HD21      ASN  17  -2.953   6.650   4.934
  120   2HD2  ASN  17          HD22      ASN  17  -3.655   8.200   4.635
  121    H    ALA  18           HN       ALA  18  -0.646   5.906   2.059
  122    HA   ALA  18           HA       ALA  18  -0.325   8.586   1.397
  123   1HB   ALA  18          HB1       ALA  18   1.213   7.699   2.899
  124   2HB   ALA  18          HB2       ALA  18   1.649   6.374   1.817
  125   3HB   ALA  18          HB3       ALA  18   2.158   8.022   1.447
  126    H    LEU  19           HN       LEU  19   0.205   5.702  -0.512
  127    HA   LEU  19           HA       LEU  19   1.730   6.741  -2.595
  128   1HB   LEU  19          HB2       LEU  19  -0.270   4.490  -2.556
  129   2HB   LEU  19          HB3       LEU  19   0.781   4.831  -3.919
  130    HG   LEU  19           HG       LEU  19   1.852   4.270  -1.163
  131   1HD1  LEU  19          HD11      LEU  19   0.512   2.355  -1.902
  132   2HD1  LEU  19          HD12      LEU  19   1.437   2.296  -3.402
  133   3HD1  LEU  19          HD13      LEU  19   2.233   1.980  -1.859
  134   1HD2  LEU  19          HD21      LEU  19   3.298   5.430  -2.809
  135   2HD2  LEU  19          HD22      LEU  19   3.912   3.854  -2.312
  136   3HD2  LEU  19          HD23      LEU  19   3.127   4.040  -3.879
  137    H    ALA  20           HN       ALA  20  -1.344   7.703  -1.764
  138    HA   ALA  20           HA       ALA  20  -2.541   8.005  -4.314
  139   1HB   ALA  20          HB1       ALA  20  -4.060   9.577  -3.194
  140   2HB   ALA  20          HB2       ALA  20  -3.861   8.085  -2.274
  141   3HB   ALA  20          HB3       ALA  20  -3.022   9.551  -1.768
  142    H    GLN  21           HN       GLN  21  -0.873   8.829  -5.644
  143    HA   GLN  21           HA       GLN  21  -0.233  11.669  -5.189
  144   1HB   GLN  21          HB2       GLN  21   1.835  11.322  -6.420
  145   2HB   GLN  21          HB3       GLN  21   1.738  10.188  -5.079
  146   1HG   GLN  21          HG2       GLN  21   0.952   8.456  -6.671
  147   2HG   GLN  21          HG3       GLN  21   1.219   9.601  -7.984
  148   1HE2  GLN  21          HE21      GLN  21   3.611  10.721  -6.703
  149   2HE2  GLN  21          HE22      GLN  21   4.858   9.550  -6.932
  150    H    ASP  22           HN       ASP  22  -2.088   9.647  -7.017
  151    HA   ASP  22           HA       ASP  22  -2.657  11.688  -8.943
  152   1HB   ASP  22          HB2       ASP  22  -2.143  10.315 -10.945
  153   2HB   ASP  22          HB3       ASP  22  -0.702  10.757 -10.034
  154    H    THR  23           HN       THR  23  -3.836   9.711  -6.909
  155    HA   THR  23           HA       THR  23  -5.531   7.909  -8.214
  156    HB   THR  23           HB       THR  23  -6.925   7.977  -6.173
  157    HG1  THR  23           HG1      THR  23  -6.920   9.932  -5.303
  158   1HG2  THR  23          HG21      THR  23  -4.954   6.567  -6.173
  159   2HG2  THR  23          HG22      THR  23  -5.159   7.295  -4.580
  160   3HG2  THR  23          HG23      THR  23  -3.945   7.930  -5.689
  161    H    PHE  24           HN       PHE  24  -5.987  11.315  -7.375
  162    HA   PHE  24           HA       PHE  24  -7.899  11.667  -9.471
  163   1HB   PHE  24          HB2       PHE  24  -9.368  10.664  -7.779
  164   2HB   PHE  24          HB3       PHE  24  -8.876  11.888  -6.614
  165    HD1  PHE  24           HD1      PHE  24 -10.609  11.398  -9.850
  166    HD2  PHE  24           HD2      PHE  24  -9.964  13.958  -6.512
  167    HE1  PHE  24           HE1      PHE  24 -12.439  12.853 -10.617
  168    HE2  PHE  24           HE2      PHE  24 -11.792  15.418  -7.273
  169    HZ   PHE  24           HZ       PHE  24 -13.033  14.865  -9.328
  170    H    HIS  25           HN       HIS  25  -6.585  13.308 -10.177
  171    HA   HIS  25           HA       HIS  25  -5.712  15.396 -10.348
  172   1HB   HIS  25          HB2       HIS  25  -7.893  15.996  -8.341
  173   2HB   HIS  25          HB3       HIS  25  -6.945  17.227  -9.169
  174    HD1  HIS  25           HD1      HIS  25  -9.813  14.940  -9.611
  175    HD2  HIS  25           HD2      HIS  25  -7.475  17.437 -11.970
  176    HE1  HIS  25           HE1      HIS  25 -11.079  15.210 -11.767
  177    HE2  HIS  25           HE2      HIS  25  -9.613  16.668 -13.205
  178    H    GLY  26           HN       GLY  26  -6.597  15.915  -6.978
  179   1HA   GLY  26          HA1       GLY  26  -4.424  15.107  -5.572
  180   2HA   GLY  26          HA2       GLY  26  -3.866  16.589  -6.336
  181    H    TYR  27           HN       TYR  27  -5.806  15.208  -3.852
  182    HA   TYR  27           HA       TYR  27  -7.331  17.468  -3.132
  183   1HB   TYR  27          HB2       TYR  27  -6.341  15.333  -1.236
  184   2HB   TYR  27          HB3       TYR  27  -7.792  16.318  -1.081
  185    HD1  TYR  27           HD1      TYR  27  -9.647  15.979  -2.797
  186    HD2  TYR  27           HD2      TYR  27  -6.422  13.248  -2.305
  187    HE1  TYR  27           HE1      TYR  27 -10.964  14.232  -3.922
  188    HE2  TYR  27           HE2      TYR  27  -7.728  11.494  -3.430
  189    HH   TYR  27           HH       TYR  27 -10.112  10.964  -3.863
  190    HA   PRO  28           HA       PRO  28  -4.407  20.093  -1.108
  191   1HB   PRO  28          HB2       PRO  28  -5.864  21.106   0.951
  192   2HB   PRO  28          HB3       PRO  28  -6.102  21.597  -0.730
  193   1HG   PRO  28          HG2       PRO  28  -7.660  19.636   0.910
  194   2HG   PRO  28          HG3       PRO  28  -8.250  20.875  -0.213
  195   1HD   PRO  28          HD2       PRO  28  -8.070  18.264  -0.897
  196   2HD   PRO  28          HD3       PRO  28  -7.826  19.575  -2.070
  197    H    GLY  29           HN       GLY  29  -5.561  17.288   0.279
  198   1HA   GLY  29          HA1       GLY  29  -4.094  17.611   2.792
  199   2HA   GLY  29          HA2       GLY  29  -5.174  16.286   2.385
  200    H    ILE  30           HN       ILE  30  -4.352  14.993   0.384
  201    HA   ILE  30           HA       ILE  30  -1.651  14.138   1.049
  202    HB   ILE  30           HB       ILE  30  -3.434  12.450   0.808
  203   1HG1  ILE  30          HG12      ILE  30  -2.191  10.976  -0.867
  204   2HG1  ILE  30          HG13      ILE  30  -1.129  12.353  -1.140
  205   1HG2  ILE  30          HG21      ILE  30  -3.458  13.273  -2.092
  206   2HG2  ILE  30          HG22      ILE  30  -4.327  11.905  -1.399
  207   3HG2  ILE  30          HG23      ILE  30  -4.749  13.549  -0.923
  208   1HD1  ILE  30          HD11      ILE  30  -0.497  12.333   1.214
  209   2HD1  ILE  30          HD12      ILE  30  -1.567  10.958   1.490
  210   3HD1  ILE  30          HD13      ILE  30  -0.162  10.785   0.439
  211    H    THR  31           HN       THR  31   0.092  14.239  -0.292
  212    HA   THR  31           HA       THR  31  -0.268  15.323  -2.994
  213    HB   THR  31           HB       THR  31   1.858  16.381  -1.126
  214    HG1  THR  31           HG1      THR  31   0.531  18.120  -0.754
  215   1HG2  THR  31          HG21      THR  31   2.454  16.634  -3.434
  216   2HG2  THR  31          HG22      THR  31   1.933  18.209  -2.837
  217   3HG2  THR  31          HG23      THR  31   0.849  17.243  -3.837
  218    H    GLU  32           HN       GLU  32   1.589  14.966  -4.391
  219    HA   GLU  32           HA       GLU  32   2.600  12.390  -4.289
  220   1HB   GLU  32          HB2       GLU  32   2.531  13.627  -6.362
  221   2HB   GLU  32          HB3       GLU  32   3.663  14.818  -5.739
  222   1HG   GLU  32          HG2       GLU  32   5.441  13.214  -5.729
  223   2HG   GLU  32          HG3       GLU  32   4.329  11.915  -6.152
  224    H    GLU  33           HN       GLU  33   4.213  15.423  -3.397
  225    HA   GLU  33           HA       GLU  33   6.665  14.256  -2.634
  226   1HB   GLU  33          HB2       GLU  33   7.072  16.401  -1.462
  227   2HB   GLU  33          HB3       GLU  33   6.513  16.626  -3.114
  228   1HG   GLU  33          HG2       GLU  33   4.267  17.100  -2.304
  229   2HG   GLU  33          HG3       GLU  33   4.807  16.851  -0.644
  230    H    LEU  34           HN       LEU  34   3.603  14.458  -1.097
  231    HA   LEU  34           HA       LEU  34   4.616  14.030   1.576
  232   1HB   LEU  34          HB2       LEU  34   1.814  13.983   0.466
  233   2HB   LEU  34          HB3       LEU  34   2.211  13.803   2.163
  234    HG   LEU  34           HG       LEU  34   2.808  16.254   0.506
  235   1HD1  LEU  34          HD11      LEU  34   1.003  17.272   1.865
  236   2HD1  LEU  34          HD12      LEU  34   0.439  16.008   0.771
  237   3HD1  LEU  34          HD13      LEU  34   0.624  15.664   2.491
  238   1HD2  LEU  34          HD21      LEU  34   3.025  15.755   3.474
  239   2HD2  LEU  34          HD22      LEU  34   4.375  15.937   2.353
  240   3HD2  LEU  34          HD23      LEU  34   3.296  17.297   2.663
  241    H    LEU  35           HN       LEU  35   3.297  12.122  -1.044
  242    HA   LEU  35           HA       LEU  35   2.463   9.827   0.135
  243   1HB   LEU  35          HB2       LEU  35   2.512   8.983  -1.941
  244   2HB   LEU  35          HB3       LEU  35   2.996  10.596  -2.408
  245    HG   LEU  35           HG       LEU  35   5.421   9.645  -2.017
  246   1HD1  LEU  35          HD11      LEU  35   3.880   7.151  -2.725
  247   2HD1  LEU  35          HD12      LEU  35   5.628   7.305  -2.557
  248   3HD1  LEU  35          HD13      LEU  35   4.586   7.476  -1.144
  249   1HD2  LEU  35          HD21      LEU  35   4.517  10.503  -4.130
  250   2HD2  LEU  35          HD22      LEU  35   5.526   9.078  -4.375
  251   3HD2  LEU  35          HD23      LEU  35   3.769   8.937  -4.437
  252    H    ARG  36           HN       ARG  36   5.794  10.862  -0.306
  253    HA   ARG  36           HA       ARG  36   6.880   8.411   0.768
  254   1HB   ARG  36          HB2       ARG  36   8.288   9.333  -0.826
  255   2HB   ARG  36          HB3       ARG  36   8.016  10.976  -0.272
  256   1HG   ARG  36          HG2       ARG  36   9.235   9.855   1.895
  257   2HG   ARG  36          HG3       ARG  36  10.015   9.020   0.553
  258   1HD   ARG  36          HD2       ARG  36  11.138  10.847  -0.070
  259   2HD   ARG  36          HD3       ARG  36   9.724  11.885   0.110
  260    HE   ARG  36           HE       ARG  36  10.513  11.343   2.669
  261   1HH1  ARG  36          HH12      ARG  36  12.056  12.698  -0.146
  262   2HH1  ARG  36          HH11      ARG  36  13.133  13.698   0.768
  263   1HH2  ARG  36          HH22      ARG  36  11.926  12.658   3.880
  264   2HH2  ARG  36          HH21      ARG  36  13.061  13.675   3.056
  265    H    SER  37           HN       SER  37   7.101  11.823   1.770
  266    HA   SER  37           HA       SER  37   8.233  11.431   4.257
  267   1HB   SER  37          HB2       SER  37   8.089  13.624   3.223
  268   2HB   SER  37          HB3       SER  37   6.332  13.614   3.385
  269    HG   SER  37           HG       SER  37   6.506  14.061   5.456
  270    H    GLN  38           HN       GLN  38   4.994  10.733   3.317
  271    HA   GLN  38           HA       GLN  38   3.731  11.120   5.813
  272   1HB   GLN  38          HB2       GLN  38   3.031   9.630   3.323
  273   2HB   GLN  38          HB3       GLN  38   2.069   9.384   4.776
  274   1HG   GLN  38          HG2       GLN  38   2.589  12.047   3.467
  275   2HG   GLN  38          HG3       GLN  38   1.118  11.093   3.287
  276   1HE2  GLN  38          HE21      GLN  38   1.527  13.786   4.373
  277   2HE2  GLN  38          HE22      GLN  38   0.876  13.752   5.972
  278    H    LEU  39           HN       LEU  39   4.978   8.101   4.306
  279    HA   LEU  39           HA       LEU  39   5.034   6.988   7.032
  280   1HB   LEU  39          HB2       LEU  39   4.267   5.594   4.475
  281   2HB   LEU  39          HB3       LEU  39   4.617   4.749   5.973
  282    HG   LEU  39           HG       LEU  39   2.757   6.330   6.953
  283   1HD1  LEU  39          HD11      LEU  39   2.564   7.606   4.810
  284   2HD1  LEU  39          HD12      LEU  39   1.876   6.161   4.076
  285   3HD1  LEU  39          HD13      LEU  39   1.045   6.951   5.416
  286   1HD2  LEU  39          HD21      LEU  39   2.673   3.885   6.858
  287   2HD2  LEU  39          HD22      LEU  39   1.106   4.608   6.496
  288   3HD2  LEU  39          HD23      LEU  39   2.107   3.973   5.191
  289    H    TYR  40           HN       TYR  40   6.695   7.389   4.014
  290    HA   TYR  40           HA       TYR  40   8.956   5.799   5.041
  291   1HB   TYR  40          HB2       TYR  40   8.165   6.575   2.236
  292   2HB   TYR  40          HB3       TYR  40   9.780   6.001   2.618
  293    HD1  TYR  40           HD1      TYR  40   7.357   4.371   4.673
  294    HD2  TYR  40           HD2      TYR  40   9.069   4.353   0.785
  295    HE1  TYR  40           HE1      TYR  40   6.635   2.048   4.369
  296    HE2  TYR  40           HE2      TYR  40   8.356   2.042   0.465
  297    HH   TYR  40           HH       TYR  40   6.135   0.502   2.514
  298    HA   PRO  41           HA       PRO  41  10.453  10.149   5.294
  299   1HB   PRO  41          HB2       PRO  41  11.336  10.132   7.804
  300   2HB   PRO  41          HB3       PRO  41   9.606  10.245   7.456
  301   1HG   PRO  41          HG2       PRO  41  11.217   7.868   8.300
  302   2HG   PRO  41          HG3       PRO  41   9.609   8.379   8.846
  303   1HD   PRO  41          HD2       PRO  41  10.087   6.439   6.931
  304   2HD   PRO  41          HD3       PRO  41   8.571   7.345   7.099
  305    H    GLU  42           HN       GLU  42  11.840   7.380   4.651
  306    HA   GLU  42           HA       GLU  42  14.565   8.438   4.986
  307   1HB   GLU  42          HB2       GLU  42  15.432   6.381   5.693
  308   2HB   GLU  42          HB3       GLU  42  13.939   6.551   6.606
  309   1HG   GLU  42          HG2       GLU  42  12.851   5.154   4.771
  310   2HG   GLU  42          HG3       GLU  42  14.495   4.781   4.253
  311    H    VAL  43           HN       VAL  43  12.209   7.340   2.892
  312    HA   VAL  43           HA       VAL  43  14.157   6.389   0.919
  313    HB   VAL  43           HB       VAL  43  11.797   5.266   1.665
  314   1HG1  VAL  43          HG11      VAL  43  10.385   6.990   0.821
  315   2HG1  VAL  43          HG12      VAL  43  11.193   6.957  -0.748
  316   3HG1  VAL  43          HG13      VAL  43  10.223   5.582  -0.228
  317   1HG2  VAL  43          HG21      VAL  43  11.955   3.896  -0.326
  318   2HG2  VAL  43          HG22      VAL  43  12.997   5.097  -1.093
  319   3HG2  VAL  43          HG23      VAL  43  13.562   4.220   0.331
  320    HA   PRO  44           HA       PRO  44  13.534  10.205  -1.311
  321   1HB   PRO  44          HB2       PRO  44  14.559   8.977  -3.723
  322   2HB   PRO  44          HB3       PRO  44  15.363  10.118  -2.646
  323   1HG   PRO  44          HG2       PRO  44  16.125   7.511  -2.922
  324   2HG   PRO  44          HG3       PRO  44  16.394   8.462  -1.451
  325   1HD   PRO  44          HD2       PRO  44  14.251   6.450  -2.044
  326   2HD   PRO  44          HD3       PRO  44  15.188   6.695  -0.553
  327    HA   PRO  45           HA       PRO  45   9.592   9.597  -3.326
  328   1HB   PRO  45          HB2       PRO  45  10.329  12.084  -4.789
  329   2HB   PRO  45          HB3       PRO  45   8.865  11.709  -3.873
  330   1HG   PRO  45          HG2       PRO  45  10.687  13.330  -2.841
  331   2HG   PRO  45          HG3       PRO  45   9.894  12.116  -1.815
  332   1HD   PRO  45          HD2       PRO  45  12.621  12.060  -3.056
  333   2HD   PRO  45          HD3       PRO  45  12.121  11.567  -1.425
  334    H    GLU  46           HN       GLU  46  12.618   9.813  -4.906
  335    HA   GLU  46           HA       GLU  46  11.500   9.108  -7.513
  336   1HB   GLU  46          HB2       GLU  46  13.875   9.307  -8.287
  337   2HB   GLU  46          HB3       GLU  46  13.200  10.787  -7.622
  338   1HG   GLU  46          HG2       GLU  46  14.355  10.380  -5.516
  339   2HG   GLU  46          HG3       GLU  46  15.021   8.883  -6.168
  340    H    GLU  47           HN       GLU  47  13.653   7.823  -5.008
  341    HA   GLU  47           HA       GLU  47  13.916   5.295  -6.416
  342   1HB   GLU  47          HB2       GLU  47  14.980   6.246  -3.755
  343   2HB   GLU  47          HB3       GLU  47  15.274   4.641  -4.407
  344   1HG   GLU  47          HG2       GLU  47  16.412   5.617  -6.325
  345   2HG   GLU  47          HG3       GLU  47  16.102   7.233  -5.695
  346    H    PHE  48           HN       PHE  48  11.432   6.542  -4.984
  347    HA   PHE  48           HA       PHE  48  10.705   4.532  -3.059
  348   1HB   PHE  48          HB2       PHE  48   9.950   6.952  -3.043
  349   2HB   PHE  48          HB3       PHE  48   8.918   6.566  -4.416
  350    HD1  PHE  48           HD1      PHE  48   8.747   7.300  -1.175
  351    HD2  PHE  48           HD2      PHE  48   7.586   4.125  -3.754
  352    HE1  PHE  48           HE1      PHE  48   6.979   6.667   0.408
  353    HE2  PHE  48           HE2      PHE  48   5.819   3.484  -2.172
  354    HZ   PHE  48           HZ       PHE  48   5.513   4.757  -0.088
  355    H    ARG  49           HN       ARG  49  10.114   5.205  -6.449
  356    HA   ARG  49           HA       ARG  49   8.024   3.428  -6.929
  357   1HB   ARG  49          HB2       ARG  49   8.791   5.172  -8.509
  358   2HB   ARG  49          HB3       ARG  49  10.214   4.200  -8.856
  359   1HG   ARG  49          HG2       ARG  49   8.615   3.869 -10.601
  360   2HG   ARG  49          HG3       ARG  49   8.721   2.386  -9.650
  361   1HD   ARG  49          HD2       ARG  49   6.718   3.263  -8.349
  362   2HD   ARG  49          HD3       ARG  49   6.551   4.470  -9.622
  363    HE   ARG  49           HE       ARG  49   6.670   2.025 -10.896
  364   1HH1  ARG  49          HH12      ARG  49   4.608   3.583  -8.556
  365   2HH1  ARG  49          HH11      ARG  49   3.189   2.719  -9.043
  366   1HH2  ARG  49          HH22      ARG  49   4.803   0.881 -11.539
  367   2HH2  ARG  49          HH21      ARG  49   3.301   1.182 -10.733
  368    HA   PRO  50           HA       PRO  50  11.461   0.149  -8.287
  369   1HB   PRO  50          HB2       PRO  50  13.600   0.318  -6.483
  370   2HB   PRO  50          HB3       PRO  50  13.637   0.773  -8.187
  371   1HG   PRO  50          HG2       PRO  50  13.289   2.480  -5.776
  372   2HG   PRO  50          HG3       PRO  50  14.126   2.838  -7.295
  373   1HD   PRO  50          HD2       PRO  50  11.721   3.881  -6.756
  374   2HD   PRO  50          HD3       PRO  50  12.154   3.369  -8.401
  375    H    PHE  51           HN       PHE  51  11.123   1.295  -4.950
  376    HA   PHE  51           HA       PHE  51  11.102  -1.342  -3.840
  377   1HB   PHE  51          HB2       PHE  51  10.945   1.378  -2.844
  378   2HB   PHE  51          HB3       PHE  51   9.775   0.336  -2.040
  379    HD1  PHE  51           HD1      PHE  51  10.741  -1.991  -1.260
  380    HD2  PHE  51           HD2      PHE  51  13.069   1.497  -1.987
  381    HE1  PHE  51           HE1      PHE  51  12.523  -2.885   0.181
  382    HE2  PHE  51           HE2      PHE  51  14.857   0.609  -0.549
  383    HZ   PHE  51           HZ       PHE  51  14.586  -1.586   0.537
  384    H    LEU  52           HN       LEU  52   8.757   0.809  -5.202
  385    HA   LEU  52           HA       LEU  52   6.450  -0.490  -4.165
  386   1HB   LEU  52          HB2       LEU  52   6.927   1.456  -6.392
  387   2HB   LEU  52          HB3       LEU  52   5.359   0.704  -6.197
  388    HG   LEU  52           HG       LEU  52   6.764   2.447  -4.175
  389   1HD1  LEU  52          HD11      LEU  52   5.098   4.071  -4.656
  390   2HD1  LEU  52          HD12      LEU  52   5.784   3.560  -6.197
  391   3HD1  LEU  52          HD13      LEU  52   4.210   2.946  -5.688
  392   1HD2  LEU  52          HD21      LEU  52   5.463   0.657  -3.117
  393   2HD2  LEU  52          HD22      LEU  52   4.737   2.240  -2.854
  394   3HD2  LEU  52          HD23      LEU  52   4.049   1.145  -4.050
  395    H    ALA  53           HN       ALA  53   8.705  -1.344  -6.541
  396    HA   ALA  53           HA       ALA  53   7.162  -2.642  -8.449
  397   1HB   ALA  53          HB1       ALA  53   9.853  -3.492  -7.368
  398   2HB   ALA  53          HB2       ALA  53   9.129  -4.047  -8.878
  399   3HB   ALA  53          HB3       ALA  53   9.575  -2.351  -8.685
  400    H    LYS  54           HN       LYS  54   7.547  -3.299  -5.163
  401    HA   LYS  54           HA       LYS  54   6.200  -5.896  -5.461
  402   1HB   LYS  54          HB2       LYS  54   8.210  -5.122  -3.338
  403   2HB   LYS  54          HB3       LYS  54   7.357  -6.660  -3.432
  404   1HG   LYS  54          HG2       LYS  54   8.464  -7.179  -5.524
  405   2HG   LYS  54          HG3       LYS  54   9.263  -5.606  -5.513
  406   1HD   LYS  54          HD2       LYS  54   9.608  -7.697  -3.368
  407   2HD   LYS  54          HD3       LYS  54  10.699  -7.497  -4.740
  408   1HE   LYS  54          HE2       LYS  54  11.117  -5.168  -4.013
  409   2HE   LYS  54          HE3       LYS  54  10.101  -5.455  -2.601
  410   1HZ   LYS  54          HZ1       LYS  54  11.635  -7.209  -1.920
  411   2HZ   LYS  54          HZ2       LYS  54  12.423  -5.719  -2.049
  412   3HZ   LYS  54          HZ3       LYS  54  12.619  -6.885  -3.257
  413    H    MET  55           HN       MET  55   5.821  -2.797  -4.561
  414    HA   MET  55           HA       MET  55   3.738  -3.457  -2.590
  415   1HB   MET  55          HB2       MET  55   5.814  -1.276  -2.462
  416   2HB   MET  55          HB3       MET  55   4.301  -1.157  -1.576
  417   1HG   MET  55          HG2       MET  55   4.835  -2.941  -0.177
  418   2HG   MET  55          HG3       MET  55   6.092  -3.541  -1.252
  419   1HE   MET  55          HE1       MET  55   8.150  -3.724   0.127
  420   2HE   MET  55          HE2       MET  55   8.562  -2.646   1.460
  421   3HE   MET  55          HE3       MET  55   7.079  -3.599   1.523
  422    H    ARG  56           HN       ARG  56   3.918  -2.719  -5.596
  423    HA   ARG  56           HA       ARG  56   2.132  -0.375  -5.528
  424   1HB   ARG  56          HB2       ARG  56   2.935   0.287  -7.564
  425   2HB   ARG  56          HB3       ARG  56   4.347  -0.593  -7.002
  426   1HG   ARG  56          HG2       ARG  56   2.894  -2.556  -8.240
  427   2HG   ARG  56          HG3       ARG  56   2.565  -1.141  -9.241
  428   1HD   ARG  56          HD2       ARG  56   5.008  -0.742  -9.388
  429   2HD   ARG  56          HD3       ARG  56   5.265  -2.235  -8.491
  430    HE   ARG  56           HE       ARG  56   3.721  -2.987 -10.603
  431   1HH1  ARG  56          HH12      ARG  56   6.764  -1.319 -10.270
  432   2HH1  ARG  56          HH11      ARG  56   7.394  -1.903 -11.774
  433   1HH2  ARG  56          HH22      ARG  56   4.543  -3.762 -12.578
  434   2HH2  ARG  56          HH21      ARG  56   6.133  -3.296 -13.084
  435    H    GLY  57           HN       GLY  57   2.340  -3.730  -6.307
  436   1HA   GLY  57          HA1       GLY  57   0.295  -4.084  -8.138
  437   2HA   GLY  57          HA2       GLY  57   0.746  -5.262  -6.913
  438    H    ILE  58           HN       ILE  58   0.034  -3.011  -4.902
  439    HA   ILE  58           HA       ILE  58  -2.805  -3.728  -4.786
  440    HB   ILE  58           HB       ILE  58  -0.949  -2.680  -2.645
  441   1HG1  ILE  58          HG12      ILE  58  -1.638  -4.938  -1.609
  442   2HG1  ILE  58          HG13      ILE  58  -2.198  -5.363  -3.222
  443   1HG2  ILE  58          HG21      ILE  58  -3.180  -1.761  -2.325
  444   2HG2  ILE  58          HG22      ILE  58  -3.880  -3.374  -2.458
  445   3HG2  ILE  58          HG23      ILE  58  -2.831  -2.976  -1.097
  446   1HD1  ILE  58          HD11      ILE  58   0.060  -6.196  -2.722
  447   2HD1  ILE  58          HD12      ILE  58   0.026  -5.101  -4.104
  448   3HD1  ILE  58          HD13      ILE  58   0.612  -4.530  -2.542
  449    H    LEU  59           HN       LEU  59  -0.618  -0.965  -4.786
  450    HA   LEU  59           HA       LEU  59  -2.464   1.057  -4.222
  451   1HB   LEU  59          HB2       LEU  59  -0.065   1.447  -4.221
  452   2HB   LEU  59          HB3       LEU  59   0.024   1.129  -5.939
  453    HG   LEU  59           HG       LEU  59   0.116   3.571  -5.110
  454   1HD1  LEU  59          HD11      LEU  59  -1.859   2.899  -7.279
  455   2HD1  LEU  59          HD12      LEU  59  -0.901   4.370  -7.120
  456   3HD1  LEU  59          HD13      LEU  59  -0.107   2.834  -7.466
  457   1HD2  LEU  59          HD21      LEU  59  -2.020   4.683  -4.849
  458   2HD2  LEU  59          HD22      LEU  59  -2.869   3.148  -5.027
  459   3HD2  LEU  59          HD23      LEU  59  -1.837   3.426  -3.625
  460    H    LYS  60           HN       LYS  60  -1.377  -0.181  -7.376
  461    HA   LYS  60           HA       LYS  60  -3.094   1.409  -8.935
  462   1HB   LYS  60          HB2       LYS  60  -1.219   0.388  -9.987
  463   2HB   LYS  60          HB3       LYS  60  -1.703  -1.215  -9.457
  464   1HG   LYS  60          HG2       LYS  60  -3.586   0.254 -11.207
  465   2HG   LYS  60          HG3       LYS  60  -2.090  -0.337 -11.934
  466   1HD   LYS  60          HD2       LYS  60  -3.958  -2.063 -10.317
  467   2HD   LYS  60          HD3       LYS  60  -4.040  -1.917 -12.074
  468   1HE   LYS  60          HE2       LYS  60  -1.665  -2.886 -10.485
  469   2HE   LYS  60          HE3       LYS  60  -2.783  -3.904 -11.391
  470   1HZ   LYS  60          HZ1       LYS  60  -1.007  -1.820 -12.542
  471   2HZ   LYS  60          HZ2       LYS  60  -2.097  -2.768 -13.421
  472   3HZ   LYS  60          HZ3       LYS  60  -0.775  -3.493 -12.652
  473    H    SER  61           HN       SER  61  -3.593  -1.561  -7.210
  474    HA   SER  61           HA       SER  61  -5.944  -2.403  -8.559
  475   1HB   SER  61          HB2       SER  61  -4.859  -3.057  -5.814
  476   2HB   SER  61          HB3       SER  61  -6.266  -3.846  -6.529
  477    HG   SER  61           HG       SER  61  -5.002  -4.810  -8.000
  478    H    ILE  62           HN       ILE  62  -5.445  -0.644  -5.509
  479    HA   ILE  62           HA       ILE  62  -8.286  -0.327  -5.111
  480    HB   ILE  62           HB       ILE  62  -6.010   0.906  -3.564
  481   1HG1  ILE  62          HG12      ILE  62  -7.588  -1.609  -2.976
  482   2HG1  ILE  62          HG13      ILE  62  -5.950  -1.582  -3.618
  483   1HG2  ILE  62          HG21      ILE  62  -8.129   2.054  -3.228
  484   2HG2  ILE  62          HG22      ILE  62  -8.917   0.521  -2.855
  485   3HG2  ILE  62          HG23      ILE  62  -7.673   1.159  -1.780
  486   1HD1  ILE  62          HD11      ILE  62  -6.834  -0.541  -0.937
  487   2HD1  ILE  62          HD12      ILE  62  -5.921  -2.018  -1.249
  488   3HD1  ILE  62          HD13      ILE  62  -5.193  -0.445  -1.579
  489    H    ALA  63           HN       ALA  63  -5.712   1.566  -6.489
  490    HA   ALA  63           HA       ALA  63  -7.111   4.071  -6.207
  491   1HB   ALA  63          HB1       ALA  63  -4.672   3.987  -6.118
  492   2HB   ALA  63          HB2       ALA  63  -4.635   3.441  -7.796
  493   3HB   ALA  63          HB3       ALA  63  -5.246   5.048  -7.404
  494    H    SER  64           HN       SER  64  -5.998   2.296  -9.116
  495    HA   SER  64           HA       SER  64  -7.761   3.876 -10.761
  496   1HB   SER  64          HB2       SER  64  -6.803   2.647 -12.639
  497   2HB   SER  64          HB3       SER  64  -5.530   3.227 -11.567
  498    HG   SER  64           HG       SER  64  -5.241   1.034 -12.212
  499    H    ALA  65           HN       ALA  65  -8.073   0.919  -9.071
  500    HA   ALA  65           HA       ALA  65 -10.441   0.281 -10.708
  501   1HB   ALA  65          HB1       ALA  65 -10.103  -2.074 -10.234
  502   2HB   ALA  65          HB2       ALA  65  -8.681  -1.384 -11.016
  503   3HB   ALA  65          HB3       ALA  65  -8.670  -1.692  -9.281
  504    H    ASP  66           HN       ASP  66  -9.073   0.363  -7.455
  505    HA   ASP  66           HA       ASP  66 -10.030   0.351  -5.386
  506   1HB   ASP  66          HB2       ASP  66 -11.194   2.340  -6.263
  507   2HB   ASP  66          HB3       ASP  66 -12.470   1.309  -6.905
  508    H    MET  67           HN       MET  67  -9.905  -1.857  -5.074
  509    HA   MET  67           HA       MET  67 -12.203  -3.495  -5.835
  510   1HB   MET  67          HB2       MET  67  -9.589  -4.353  -4.591
  511   2HB   MET  67          HB3       MET  67 -10.807  -5.399  -5.308
  512   1HG   MET  67          HG2       MET  67  -9.235  -3.316  -6.804
  513   2HG   MET  67          HG3       MET  67  -8.851  -5.035  -6.762
  514   1HE   MET  67          HE1       MET  67 -10.376  -6.937  -8.021
  515   2HE   MET  67          HE2       MET  67 -11.531  -6.430  -6.786
  516   3HE   MET  67          HE3       MET  67 -12.042  -6.570  -8.469
  517    H    ASP  68           HN       ASP  68 -12.428  -5.384  -4.047
  518    HA   ASP  68           HA       ASP  68 -12.821  -4.063  -1.445
  519   1HB   ASP  68          HB2       ASP  68 -14.912  -5.433  -1.213
  520   2HB   ASP  68          HB3       ASP  68 -14.991  -4.205  -2.472
  521    H    PHE  69           HN       PHE  69 -13.936  -6.423  -0.235
  522    HA   PHE  69           HA       PHE  69 -11.475  -7.790   0.363
  523   1HB   PHE  69          HB2       PHE  69 -12.865  -9.039   2.010
  524   2HB   PHE  69          HB3       PHE  69 -12.985  -7.292   2.188
  525    HD1  PHE  69           HD1      PHE  69 -14.740 -10.350   1.252
  526    HD2  PHE  69           HD2      PHE  69 -15.034  -6.122   1.632
  527    HE1  PHE  69           HE1      PHE  69 -17.189 -10.509   1.086
  528    HE2  PHE  69           HE2      PHE  69 -17.484  -6.274   1.468
  529    HZ   PHE  69           HZ       PHE  69 -18.564  -8.470   1.194
  530    H    ASN  70           HN       ASN  70 -11.399 -10.188   0.473
  531    HA   ASN  70           HA       ASN  70 -11.362 -12.202  -0.564
  532   1HB   ASN  70          HB2       ASN  70 -14.181 -11.316  -1.076
  533   2HB   ASN  70          HB3       ASN  70 -13.587 -12.856  -1.692
  534   1HD2  ASN  70          HD21      ASN  70 -15.666 -12.336   0.258
  535   2HD2  ASN  70          HD22      ASN  70 -15.190 -13.147   1.707
  536    H    GLN  71           HN       GLN  71 -11.054  -9.479  -2.149
  537    HA   GLN  71           HA       GLN  71 -10.952 -10.758  -4.801
  538   1HB   GLN  71          HB2       GLN  71 -11.319  -7.830  -4.136
  539   2HB   GLN  71          HB3       GLN  71 -11.160  -8.485  -5.760
  540   1HG   GLN  71          HG2       GLN  71 -13.377  -9.098  -3.817
  541   2HG   GLN  71          HG3       GLN  71 -13.482  -8.020  -5.207
  542   1HE2  GLN  71          HE21      GLN  71 -15.014 -10.423  -4.584
  543   2HE2  GLN  71          HE22      GLN  71 -14.785 -11.498  -5.917
  544    H    LEU  72           HN       LEU  72  -9.349  -8.598  -2.532
  545    HA   LEU  72           HA       LEU  72  -6.937  -8.508  -4.152
  546   1HB   LEU  72          HB2       LEU  72  -7.639  -7.292  -1.483
  547   2HB   LEU  72          HB3       LEU  72  -6.074  -7.127  -2.243
  548    HG   LEU  72           HG       LEU  72  -8.681  -6.098  -3.342
  549   1HD1  LEU  72          HD11      LEU  72  -7.848  -3.921  -2.785
  550   2HD1  LEU  72          HD12      LEU  72  -7.779  -4.935  -1.341
  551   3HD1  LEU  72          HD13      LEU  72  -6.306  -4.599  -2.252
  552   1HD2  LEU  72          HD21      LEU  72  -5.862  -5.788  -4.377
  553   2HD2  LEU  72          HD22      LEU  72  -7.132  -6.760  -5.121
  554   3HD2  LEU  72          HD23      LEU  72  -7.297  -5.006  -5.037
  555    H    GLU  73           HN       GLU  73  -8.200 -10.129  -1.350
  556    HA   GLU  73           HA       GLU  73  -5.965 -10.935   0.014
  557   1HB   GLU  73          HB2       GLU  73  -8.272 -11.431   0.708
  558   2HB   GLU  73          HB3       GLU  73  -8.401 -12.622  -0.579
  559   1HG   GLU  73          HG2       GLU  73  -7.988 -13.673   1.575
  560   2HG   GLU  73          HG3       GLU  73  -6.658 -13.959   0.454
  561    H    ALA  74           HN       ALA  74  -7.426 -12.635  -2.758
  562    HA   ALA  74           HA       ALA  74  -5.515 -14.698  -2.868
  563   1HB   ALA  74          HB1       ALA  74  -7.208 -13.610  -5.114
  564   2HB   ALA  74          HB2       ALA  74  -6.408 -15.182  -5.072
  565   3HB   ALA  74          HB3       ALA  74  -7.716 -14.827  -3.943
  566    H    PHE  75           HN       PHE  75  -5.420 -11.420  -3.978
  567    HA   PHE  75           HA       PHE  75  -3.329 -11.822  -5.898
  568   1HB   PHE  75          HB2       PHE  75  -4.805  -9.967  -6.239
  569   2HB   PHE  75          HB3       PHE  75  -4.450  -9.318  -4.640
  570    HD1  PHE  75           HD1      PHE  75  -2.580  -7.927  -4.277
  571    HD2  PHE  75           HD2      PHE  75  -3.051  -9.939  -7.998
  572    HE1  PHE  75           HE1      PHE  75  -0.775  -6.560  -5.239
  573    HE2  PHE  75           HE2      PHE  75  -1.245  -8.576  -8.966
  574    HZ   PHE  75           HZ       PHE  75  -0.086  -6.902  -7.577
  575    H    LEU  76           HN       LEU  76  -3.469 -10.723  -2.538
  576    HA   LEU  76           HA       LEU  76  -0.804  -9.903  -2.297
  577   1HB   LEU  76          HB2       LEU  76  -2.895  -9.816  -0.657
  578   2HB   LEU  76          HB3       LEU  76  -2.124 -11.241   0.011
  579    HG   LEU  76           HG       LEU  76  -1.451  -9.297   1.270
  580   1HD1  LEU  76          HD11      LEU  76   0.936  -9.487   1.149
  581   2HD1  LEU  76          HD12      LEU  76   0.221 -11.076   0.875
  582   3HD1  LEU  76          HD13      LEU  76   0.842 -10.141  -0.487
  583   1HD2  LEU  76          HD21      LEU  76   0.031  -7.599   0.000
  584   2HD2  LEU  76          HD22      LEU  76  -0.830  -8.173  -1.427
  585   3HD2  LEU  76          HD23      LEU  76  -1.723  -7.452  -0.088
  586    H    THR  77           HN       THR  77  -2.289 -13.085  -2.000
  587    HA   THR  77           HA       THR  77  -0.164 -14.521  -0.929
  588    HB   THR  77           HB       THR  77  -2.026 -15.570  -3.068
  589    HG1  THR  77           HG1      THR  77  -3.585 -15.578  -1.615
  590   1HG2  THR  77          HG21      THR  77  -1.735 -17.702  -1.895
  591   2HG2  THR  77          HG22      THR  77  -0.632 -16.927  -0.758
  592   3HG2  THR  77          HG23      THR  77  -0.189 -17.068  -2.459
  593    H    ALA  78           HN       ALA  78  -0.535 -13.091  -4.033
  594    HA   ALA  78           HA       ALA  78   1.420 -14.702  -5.381
  595   1HB   ALA  78          HB1       ALA  78  -0.380 -13.655  -6.635
  596   2HB   ALA  78          HB2       ALA  78   0.189 -12.057  -6.153
  597   3HB   ALA  78          HB3       ALA  78   1.184 -13.070  -7.201
  598    H    GLN  79           HN       GLN  79   1.408 -11.680  -3.605
  599    HA   GLN  79           HA       GLN  79   4.004 -10.834  -4.417
  600   1HB   GLN  79          HB2       GLN  79   2.369 -10.080  -1.994
  601   2HB   GLN  79          HB3       GLN  79   3.849  -9.277  -2.491
  602   1HG   GLN  79          HG2       GLN  79   2.470  -9.049  -4.758
  603   2HG   GLN  79          HG3       GLN  79   1.127  -9.119  -3.619
  604   1HE2  GLN  79          HE21      GLN  79   2.724  -7.892  -1.483
  605   2HE2  GLN  79          HE22      GLN  79   2.820  -6.211  -1.870
  606    H    THR  80           HN       THR  80   2.951 -13.303  -2.399
  607    HA   THR  80           HA       THR  80   5.456 -13.288  -0.854
  608    HB   THR  80           HB       THR  80   4.346 -14.863   0.681
  609    HG1  THR  80           HG1      THR  80   1.871 -14.795   0.219
  610   1HG2  THR  80          HG21      THR  80   4.203 -12.459   1.127
  611   2HG2  THR  80          HG22      THR  80   2.742 -13.290   1.661
  612   3HG2  THR  80          HG23      THR  80   2.731 -12.362   0.161
  613    H    LYS  81           HN       LYS  81   3.701 -14.940  -3.301
  614    HA   LYS  81           HA       LYS  81   5.310 -17.360  -3.038
  615   1HB   LYS  81          HB2       LYS  81   2.942 -16.633  -4.750
  616   2HB   LYS  81          HB3       LYS  81   3.871 -18.104  -5.016
  617   1HG   LYS  81          HG2       LYS  81   3.365 -18.832  -2.736
  618   2HG   LYS  81          HG3       LYS  81   2.421 -17.363  -2.482
  619   1HD   LYS  81          HD2       LYS  81   0.836 -18.014  -4.153
  620   2HD   LYS  81          HD3       LYS  81   1.844 -19.375  -4.652
  621   1HE   LYS  81          HE2       LYS  81   1.524 -20.418  -2.468
  622   2HE   LYS  81          HE3       LYS  81   0.536 -19.052  -1.953
  623   1HZ   LYS  81          HZ1       LYS  81  -0.854 -20.880  -2.637
  624   2HZ   LYS  81          HZ2       LYS  81  -0.103 -20.943  -4.152
  625   3HZ   LYS  81          HZ3       LYS  81  -1.038 -19.599  -3.727
  626    H    LYS  82           HN       LYS  82   5.993 -14.485  -4.196
  627    HA   LYS  82           HA       LYS  82   7.105 -15.371  -6.757
  628   1HB   LYS  82          HB2       LYS  82   7.469 -13.059  -7.270
  629   2HB   LYS  82          HB3       LYS  82   5.836 -13.214  -6.640
  630   1HG   LYS  82          HG2       LYS  82   6.428 -12.229  -4.587
  631   2HG   LYS  82          HG3       LYS  82   8.151 -12.408  -4.914
  632   1HD   LYS  82          HD2       LYS  82   7.666 -10.126  -5.275
  633   2HD   LYS  82          HD3       LYS  82   7.804 -10.847  -6.879
  634   1HE   LYS  82          HE2       LYS  82   5.312 -11.081  -6.891
  635   2HE   LYS  82          HE3       LYS  82   5.280 -10.154  -5.391
  636   1HZ   LYS  82          HZ1       LYS  82   6.350  -8.318  -6.560
  637   2HZ   LYS  82          HZ2       LYS  82   4.879  -8.730  -7.285
  638   3HZ   LYS  82          HZ3       LYS  82   6.335  -9.207  -8.000
  639    H    GLN  83           HN       GLN  83   9.313 -13.975  -7.115
  640    HA   GLN  83           HA       GLN  83  11.103 -14.962  -5.010
  641   1HB   GLN  83          HB2       GLN  83  12.883 -14.707  -6.743
  642   2HB   GLN  83          HB3       GLN  83  11.631 -15.866  -7.165
  643   1HG   GLN  83          HG2       GLN  83  10.565 -14.166  -8.583
  644   2HG   GLN  83          HG3       GLN  83  11.869 -13.047  -8.191
  645   1HE2  GLN  83          HE21      GLN  83  13.909 -13.381  -9.059
  646   2HE2  GLN  83          HE22      GLN  83  14.185 -14.455 -10.384
  647    H    GLY  84           HN       GLY  84  12.321 -13.616  -3.819
  648   1HA   GLY  84          HA1       GLY  84  13.205 -11.666  -2.988
  649   2HA   GLY  84          HA2       GLY  84  13.191 -11.060  -4.637
  650    H    GLY  85           HN       GLY  85  10.148 -12.106  -3.587
  651   1HA   GLY  85          HA1       GLY  85   8.990  -9.536  -3.790
  652   2HA   GLY  85          HA2       GLY  85   8.194 -10.979  -3.184
  653    H    ILE  86           HN       ILE  86   7.328 -10.581  -1.271
  654    HA   ILE  86           HA       ILE  86   8.913  -9.035   0.672
  655    HB   ILE  86           HB       ILE  86   6.895  -8.144   1.616
  656   1HG1  ILE  86          HG12      ILE  86   5.358  -9.706  -0.474
  657   2HG1  ILE  86          HG13      ILE  86   5.495 -10.186   1.214
  658   1HG2  ILE  86          HG21      ILE  86   6.920  -7.934  -1.392
  659   2HG2  ILE  86          HG22      ILE  86   6.035  -6.847  -0.319
  660   3HG2  ILE  86          HG23      ILE  86   7.796  -6.915  -0.251
  661   1HD1  ILE  86          HD11      ILE  86   4.381  -8.106   1.876
  662   2HD1  ILE  86          HD12      ILE  86   4.211  -7.671   0.176
  663   3HD1  ILE  86          HD13      ILE  86   3.383  -9.093   0.809
  664    H    THR  87           HN       THR  87   8.352  -9.532   2.969
  665    HA   THR  87           HA       THR  87   8.313 -12.419   3.315
  666    HB   THR  87           HB       THR  87   8.909 -11.941   5.663
  667    HG1  THR  87           HG1      THR  87   7.782  -9.814   5.608
  668   1HG2  THR  87          HG21      THR  87  10.588 -10.437   3.652
  669   2HG2  THR  87          HG22      THR  87  10.678 -12.167   3.983
  670   3HG2  THR  87          HG23      THR  87  11.129 -11.005   5.231
  671    H    SER  88           HN       SER  88   7.255 -12.964   5.640
  672    HA   SER  88           HA       SER  88   4.454 -12.823   5.196
  673   1HB   SER  88          HB2       SER  88   5.471 -14.766   6.271
  674   2HB   SER  88          HB3       SER  88   6.007 -13.762   7.620
  675    HG   SER  88           HG       SER  88   4.007 -14.968   7.950
  676    H    ASP  89           HN       ASP  89   6.645 -11.254   7.500
  677    HA   ASP  89           HA       ASP  89   4.670  -9.921   8.998
  678   1HB   ASP  89          HB2       ASP  89   6.510  -8.430   9.724
  679   2HB   ASP  89          HB3       ASP  89   6.951 -10.131   9.825
  680    H    GLN  90           HN       GLN  90   6.076  -9.302   5.905
  681    HA   GLN  90           HA       GLN  90   5.183  -6.558   5.757
  682   1HB   GLN  90          HB2       GLN  90   6.484  -8.454   3.816
  683   2HB   GLN  90          HB3       GLN  90   5.870  -6.893   3.288
  684   1HG   GLN  90          HG2       GLN  90   7.337  -5.811   4.971
  685   2HG   GLN  90          HG3       GLN  90   8.006  -7.397   5.351
  686   1HE2  GLN  90          HE21      GLN  90   7.804  -4.860   2.985
  687   2HE2  GLN  90          HE22      GLN  90   9.115  -5.399   1.996
  688    H    ALA  91           HN       ALA  91   4.176  -9.704   4.551
  689    HA   ALA  91           HA       ALA  91   2.032  -8.672   2.954
  690   1HB   ALA  91          HB1       ALA  91   1.403 -11.037   2.697
  691   2HB   ALA  91          HB2       ALA  91   3.109 -10.753   2.348
  692   3HB   ALA  91          HB3       ALA  91   2.631 -11.476   3.884
  693    H    ALA  92           HN       ALA  92   2.432  -9.448   6.270
  694    HA   ALA  92           HA       ALA  92  -0.228 -10.171   6.904
  695   1HB   ALA  92          HB1       ALA  92   1.665 -10.660   8.370
  696   2HB   ALA  92          HB2       ALA  92   1.857  -8.937   8.692
  697   3HB   ALA  92          HB3       ALA  92   0.395  -9.774   9.211
  698    H    VAL  93           HN       VAL  93   1.408  -7.045   6.709
  699    HA   VAL  93           HA       VAL  93  -0.912  -5.674   7.777
  700    HB   VAL  93           HB       VAL  93   1.833  -5.043   7.576
  701   1HG1  VAL  93          HG11      VAL  93   1.894  -2.864   6.577
  702   2HG1  VAL  93          HG12      VAL  93   1.274  -4.008   5.387
  703   3HG1  VAL  93          HG13      VAL  93   0.163  -2.929   6.230
  704   1HG2  VAL  93          HG21      VAL  93   1.146  -3.095   8.955
  705   2HG2  VAL  93          HG22      VAL  93  -0.536  -3.511   8.628
  706   3HG2  VAL  93          HG23      VAL  93   0.492  -4.633   9.519
  707    H    ILE  94           HN       ILE  94   0.637  -6.153   4.640
  708    HA   ILE  94           HA       ILE  94  -1.026  -4.294   3.253
  709    HB   ILE  94           HB       ILE  94   0.430  -6.644   2.035
  710   1HG1  ILE  94          HG12      ILE  94   1.470  -3.838   2.499
  711   2HG1  ILE  94          HG13      ILE  94   1.930  -5.242   3.456
  712   1HG2  ILE  94          HG21      ILE  94  -0.458  -3.988   0.912
  713   2HG2  ILE  94          HG22      ILE  94   0.481  -5.202   0.042
  714   3HG2  ILE  94          HG23      ILE  94  -1.166  -5.564   0.560
  715   1HD1  ILE  94          HD11      ILE  94   3.621  -4.722   1.806
  716   2HD1  ILE  94          HD12      ILE  94   2.875  -6.280   1.452
  717   3HD1  ILE  94          HD13      ILE  94   2.428  -4.855   0.513
  718    H    SER  95           HN       SER  95  -1.232  -7.726   3.987
  719    HA   SER  95           HA       SER  95  -3.334  -8.425   2.270
  720   1HB   SER  95          HB2       SER  95  -2.065 -10.131   3.423
  721   2HB   SER  95          HB3       SER  95  -2.584  -9.516   4.994
  722    HG   SER  95           HG       SER  95  -3.745 -11.405   4.062
  723    H    LYS  96           HN       LYS  96  -3.297  -6.388   4.963
  724    HA   LYS  96           HA       LYS  96  -6.057  -6.745   5.733
  725   1HB   LYS  96          HB2       LYS  96  -4.394  -4.393   6.549
  726   2HB   LYS  96          HB3       LYS  96  -5.613  -5.262   7.468
  727   1HG   LYS  96          HG2       LYS  96  -3.092  -6.662   6.715
  728   2HG   LYS  96          HG3       LYS  96  -3.078  -5.504   8.042
  729   1HD   LYS  96          HD2       LYS  96  -3.466  -7.608   9.032
  730   2HD   LYS  96          HD3       LYS  96  -5.031  -6.796   9.011
  731   1HE   LYS  96          HE2       LYS  96  -5.683  -8.059   7.038
  732   2HE   LYS  96          HE3       LYS  96  -4.096  -8.824   6.982
  733   1HZ   LYS  96          HZ1       LYS  96  -6.097  -9.121   9.157
  734   2HZ   LYS  96          HZ2       LYS  96  -4.562  -9.831   9.141
  735   3HZ   LYS  96          HZ3       LYS  96  -5.715 -10.285   7.989
  736    H    PHE  97           HN       PHE  97  -4.713  -5.421   3.105
  737    HA   PHE  97           HA       PHE  97  -5.608  -2.856   2.804
  738   1HB   PHE  97          HB2       PHE  97  -5.826  -3.488   0.299
  739   2HB   PHE  97          HB3       PHE  97  -4.255  -3.545   1.085
  740    HD1  PHE  97           HD1      PHE  97  -3.643  -4.901  -0.931
  741    HD2  PHE  97           HD2      PHE  97  -6.428  -6.287   1.974
  742    HE1  PHE  97           HE1      PHE  97  -3.306  -7.208  -1.713
  743    HE2  PHE  97           HE2      PHE  97  -6.087  -8.593   1.197
  744    HZ   PHE  97           HZ       PHE  97  -4.527  -9.055  -0.645
  745    H    TRP  98           HN       TRP  98  -7.728  -5.513   3.242
  746    HA   TRP  98           HA       TRP  98  -9.891  -3.801   2.213
  747   1HB   TRP  98          HB2       TRP  98 -11.210  -5.902   1.761
  748   2HB   TRP  98          HB3       TRP  98  -9.856  -5.594   0.686
  749    HD1  TRP  98           HD1      TRP  98  -8.270  -7.544   0.306
  750    HE1  TRP  98           HE1      TRP  98  -7.845  -9.823   1.425
  751    HE3  TRP  98           HE3      TRP  98 -11.387  -7.077   4.338
  752    HZ2  TRP  98           HZ2      TRP  98  -8.716 -11.238   3.699
  753    HZ3  TRP  98           HZ3      TRP  98 -11.539  -8.947   5.930
  754    HH2  TRP  98           HH2      TRP  98 -10.232 -10.983   5.616
  755    H    LYS  99           HN       LYS  99  -8.642  -5.312   4.951
  756    HA   LYS  99           HA       LYS  99 -11.256  -5.499   6.239
  757   1HB   LYS  99          HB2       LYS  99 -10.071  -6.523   8.110
  758   2HB   LYS  99          HB3       LYS  99  -9.688  -7.339   6.605
  759   1HG   LYS  99          HG2       LYS  99  -7.608  -7.207   7.500
  760   2HG   LYS  99          HG3       LYS  99  -7.641  -5.682   6.618
  761   1HD   LYS  99          HD2       LYS  99  -6.750  -5.410   8.890
  762   2HD   LYS  99          HD3       LYS  99  -8.236  -4.492   8.657
  763   1HE   LYS  99          HE2       LYS  99  -9.497  -6.278   9.760
  764   2HE   LYS  99          HE3       LYS  99  -8.000  -7.174  10.014
  765   1HZ   LYS  99          HZ1       LYS  99  -8.661  -5.941  11.991
  766   2HZ   LYS  99          HZ2       LYS  99  -8.605  -4.487  11.128
  767   3HZ   LYS  99          HZ3       LYS  99  -7.187  -5.369  11.389
  768    H    SER 100           HN       SER 100  -8.300  -3.615   6.324
  769    HA   SER 100           HA       SER 100  -8.869  -2.159   8.681
  770   1HB   SER 100          HB2       SER 100  -7.142  -1.417   6.307
  771   2HB   SER 100          HB3       SER 100  -7.140  -0.585   7.862
  772    HG   SER 100           HG       SER 100  -5.473  -2.163   7.692
  773    H    HIS 101           HN       HIS 101 -10.197  -2.039   5.556
  774    HA   HIS 101           HA       HIS 101 -11.249   0.673   6.006
  775   1HB   HIS 101          HB2       HIS 101  -9.950   0.193   3.885
  776   2HB   HIS 101          HB3       HIS 101 -11.267  -0.872   3.409
  777    HD1  HIS 101           HD1      HIS 101 -10.544   2.774   4.078
  778    HD2  HIS 101           HD2      HIS 101 -13.446   0.390   2.300
  779    HE1  HIS 101           HE1      HIS 101 -12.083   4.364   2.884
  780    HE2  HIS 101           HE2      HIS 101 -13.857   2.904   1.852
  781    H    LYS 102           HN       LYS 102 -12.105  -2.460   6.473
  782    HA   LYS 102           HA       LYS 102 -14.960  -1.831   6.147
  783   1HB   LYS 102          HB2       LYS 102 -13.499  -4.377   5.443
  784   2HB   LYS 102          HB3       LYS 102 -15.238  -4.309   5.653
  785   1HG   LYS 102          HG2       LYS 102 -13.710  -2.637   3.675
  786   2HG   LYS 102          HG3       LYS 102 -14.489  -4.173   3.291
  787   1HD   LYS 102          HD2       LYS 102 -16.654  -3.247   3.923
  788   2HD   LYS 102          HD3       LYS 102 -15.887  -1.719   4.357
  789   1HE   LYS 102          HE2       LYS 102 -15.195  -1.380   2.061
  790   2HE   LYS 102          HE3       LYS 102 -15.853  -2.950   1.605
  791   1HZ   LYS 102          HZ1       LYS 102 -18.058  -2.160   2.167
  792   2HZ   LYS 102          HZ2       LYS 102 -17.350  -1.137   1.022
  793   3HZ   LYS 102          HZ3       LYS 102 -17.436  -0.660   2.642
  794    H    THR 103           HN       THR 103 -13.301  -1.570   8.508
  795    HA   THR 103           HA       THR 103 -14.598  -3.592  10.217
  796    HB   THR 103           HB       THR 103 -12.637  -3.051  11.833
  797    HG1  THR 103           HG1      THR 103 -10.702  -2.713  10.316
  798   1HG2  THR 103          HG21      THR 103 -11.236  -4.808  10.749
  799   2HG2  THR 103          HG22      THR 103 -12.288  -4.714   9.337
  800   3HG2  THR 103          HG23      THR 103 -12.940  -5.244  10.888
  801    H    LYS 104           HN       LYS 104 -12.817  -0.584  10.897
  802    HA   LYS 104           HA       LYS 104 -15.018   0.257  12.629
  803   1HB   LYS 104          HB2       LYS 104 -13.469   1.870  13.559
  804   2HB   LYS 104          HB3       LYS 104 -12.713   0.285  13.530
  805   1HG   LYS 104          HG2       LYS 104 -12.242   2.196  11.285
  806   2HG   LYS 104          HG3       LYS 104 -11.369   2.381  12.806
  807   1HD   LYS 104          HD2       LYS 104 -10.576   0.054  12.602
  808   2HD   LYS 104          HD3       LYS 104 -11.398  -0.070  11.046
  809   1HE   LYS 104          HE2       LYS 104 -10.007   1.691  10.135
  810   2HE   LYS 104          HE3       LYS 104  -9.232   1.922  11.702
  811   1HZ   LYS 104          HZ1       LYS 104  -7.859   0.598  10.221
  812   2HZ   LYS 104          HZ2       LYS 104  -9.093  -0.546  10.054
  813   3HZ   LYS 104          HZ3       LYS 104  -8.347  -0.322  11.556
  814    H    ILE 105           HN       ILE 105 -15.272   0.326   9.762
  815    HA   ILE 105           HA       ILE 105 -14.952   2.993   8.814
  816    HB   ILE 105           HB       ILE 105 -16.970   1.677   7.296
  817   1HG1  ILE 105          HG12      ILE 105 -15.446  -0.291   6.617
  818   2HG1  ILE 105          HG13      ILE 105 -14.726  -0.085   8.210
  819   1HG2  ILE 105          HG21      ILE 105 -15.404   3.279   6.416
  820   2HG2  ILE 105          HG22      ILE 105 -14.056   2.200   6.773
  821   3HG2  ILE 105          HG23      ILE 105 -15.245   1.751   5.552
  822   1HD1  ILE 105          HD11      ILE 105 -16.973  -0.381   9.207
  823   2HD1  ILE 105          HD12      ILE 105 -17.603  -0.712   7.595
  824   3HD1  ILE 105          HD13      ILE 105 -16.407  -1.791   8.313
  825    H    ARG 106           HN       ARG 106 -18.080   1.327   8.783
  826    HA   ARG 106           HA       ARG 106 -19.354   3.840   9.494
  827   1HB   ARG 106          HB2       ARG 106 -21.452   2.715   8.884
  828   2HB   ARG 106          HB3       ARG 106 -20.259   2.618   7.597
  829   1HG   ARG 106          HG2       ARG 106 -19.741   0.326   8.226
  830   2HG   ARG 106          HG3       ARG 106 -20.901   0.419   9.552
  831   1HD   ARG 106          HD2       ARG 106 -22.703   0.810   7.939
  832   2HD   ARG 106          HD3       ARG 106 -21.540   0.700   6.618
  833    HE   ARG 106           HE       ARG 106 -21.495  -1.626   8.260
  834   1HH1  ARG 106          HH12      ARG 106 -23.259  -0.044   5.704
  835   2HH1  ARG 106          HH11      ARG 106 -23.905  -1.518   5.062
  836   1HH2  ARG 106          HH22      ARG 106 -22.341  -3.570   7.422
  837   2HH2  ARG 106          HH21      ARG 106 -23.383  -3.522   6.039
  838    H    GLU 107           HN       GLU 107 -18.742   0.695  10.864
  839    HA   GLU 107           HA       GLU 107 -19.925   1.620  13.380
  840   1HB   GLU 107          HB2       GLU 107 -21.593   0.178  12.267
  841   2HB   GLU 107          HB3       GLU 107 -20.410  -1.121  12.200
  842   1HG   GLU 107          HG2       GLU 107 -20.343  -1.222  14.619
  843   2HG   GLU 107          HG3       GLU 107 -21.471   0.129  14.724
  844    H    SER 108           HN       SER 108 -18.971   0.798  15.247
  845    HA   SER 108           HA       SER 108 -16.364  -0.479  14.804
  846   1HB   SER 108          HB2       SER 108 -15.792   0.398  17.065
  847   2HB   SER 108          HB3       SER 108 -16.219   1.672  15.923
  848    HG   SER 108           HG       SER 108 -18.218   1.845  16.890
  Start of MODEL    9
    1   1H    MET   1          H1        MET   1  19.497  -0.583   9.299
    2   2H    MET   1          H2        MET   1  18.090  -1.355   9.828
    3   3H    MET   1          H3        MET   1  18.596   0.079  10.570
    4    HA   MET   1           HA       MET   1  17.646  -0.223   7.782
    5   1HB   MET   1          HB2       MET   1  16.441   1.120  10.208
    6   2HB   MET   1          HB3       MET   1  15.826   1.308   8.574
    7   1HG   MET   1          HG2       MET   1  14.464  -0.304   9.598
    8   2HG   MET   1          HG3       MET   1  15.537  -1.194   8.520
    9   1HE   MET   1          HE1       MET   1  16.199   0.408  12.019
   10   2HE   MET   1          HE2       MET   1  14.646  -0.381  12.294
   11   3HE   MET   1          HE3       MET   1  16.096  -0.984  13.098
   12    H    ALA   2           HN       ALA   2  18.075   1.407   6.407
   13    HA   ALA   2           HA       ALA   2  19.113   3.934   7.449
   14   1HB   ALA   2          HB1       ALA   2  21.023   3.903   5.919
   15   2HB   ALA   2          HB2       ALA   2  21.094   2.566   7.068
   16   3HB   ALA   2          HB3       ALA   2  20.585   2.274   5.405
   17    H    ALA   3           HN       ALA   3  18.642   2.223   4.347
   18    HA   ALA   3           HA       ALA   3  16.686   4.185   3.515
   19   1HB   ALA   3          HB1       ALA   3  17.881   4.887   1.513
   20   2HB   ALA   3          HB2       ALA   3  18.785   5.313   2.966
   21   3HB   ALA   3          HB3       ALA   3  19.278   3.926   1.996
   22    H    GLY   4           HN       GLY   4  15.133   3.078   2.541
   23   1HA   GLY   4          HA1       GLY   4  14.294   1.747   0.765
   24   2HA   GLY   4          HA2       GLY   4  15.851   0.939   0.669
   25    H    GLU   5           HN       GLU   5  13.524   1.481   3.316
   26    HA   GLU   5           HA       GLU   5  13.269  -1.429   3.600
   27   1HB   GLU   5          HB2       GLU   5  13.938   0.524   5.804
   28   2HB   GLU   5          HB3       GLU   5  13.372  -1.113   6.098
   29   1HG   GLU   5          HG2       GLU   5  15.866  -0.403   4.571
   30   2HG   GLU   5          HG3       GLU   5  15.816  -0.877   6.269
   31    H    LEU   6           HN       LEU   6  11.995   1.778   4.195
   32    HA   LEU   6           HA       LEU   6   9.906   2.571   4.591
   33   1HB   LEU   6          HB2       LEU   6   9.324  -0.010   3.181
   34   2HB   LEU   6          HB3       LEU   6   8.016   0.999   3.771
   35    HG   LEU   6           HG       LEU   6   8.964   2.882   2.398
   36   1HD1  LEU   6          HD11      LEU   6  10.667   0.664   1.278
   37   2HD1  LEU   6          HD12      LEU   6  10.475   2.261   0.555
   38   3HD1  LEU   6          HD13      LEU   6  11.230   2.096   2.140
   39   1HD2  LEU   6          HD21      LEU   6   8.132   0.404   0.897
   40   2HD2  LEU   6          HD22      LEU   6   7.041   1.558   1.664
   41   3HD2  LEU   6          HD23      LEU   6   8.043   2.062   0.302
   42    H    GLU   7           HN       GLU   7  11.290   0.647   6.511
   43    HA   GLU   7           HA       GLU   7  10.951  -0.115   8.614
   44   1HB   GLU   7          HB2       GLU   7   8.160   1.007   8.521
   45   2HB   GLU   7          HB3       GLU   7   9.190   0.768   9.924
   46   1HG   GLU   7          HG2       GLU   7  10.744   2.474   8.696
   47   2HG   GLU   7          HG3       GLU   7   9.252   2.907   7.857
   48    H    GLY   8           HN       GLY   8   7.651  -0.413   7.268
   49   1HA   GLY   8          HA1       GLY   8   6.847  -2.528   6.405
   50   2HA   GLY   8          HA2       GLY   8   7.926  -3.334   7.533
   51    H    GLY   9           HN       GLY   9   7.082  -1.219   9.574
   52   1HA   GLY   9          HA1       GLY   9   4.887  -2.776  10.644
   53   2HA   GLY   9          HA2       GLY   9   5.746  -1.482  11.462
   54    H    LYS  10           HN       LYS  10   5.369   0.741  10.202
   55    HA   LYS  10           HA       LYS  10   2.456   1.012  10.095
   56   1HB   LYS  10          HB2       LYS  10   3.348   2.425  11.756
   57   2HB   LYS  10          HB3       LYS  10   4.657   2.964  10.715
   58   1HG   LYS  10          HG2       LYS  10   3.015   4.718  10.998
   59   2HG   LYS  10          HG3       LYS  10   3.041   4.171   9.320
   60   1HD   LYS  10          HD2       LYS  10   1.061   2.804   9.727
   61   2HD   LYS  10          HD3       LYS  10   1.046   3.309  11.417
   62   1HE   LYS  10          HE2       LYS  10   0.690   5.622  10.732
   63   2HE   LYS  10          HE3       LYS  10   0.738   5.137   9.038
   64   1HZ   LYS  10          HZ1       LYS  10  -1.268   4.223  11.028
   65   2HZ   LYS  10          HZ2       LYS  10  -1.230   3.794   9.393
   66   3HZ   LYS  10          HZ3       LYS  10  -1.531   5.398   9.840
   67    HA   PRO  11           HA       PRO  11   4.012   3.785   6.242
   68   1HB   PRO  11          HB2       PRO  11   6.432   2.053   5.869
   69   2HB   PRO  11          HB3       PRO  11   6.162   3.724   5.356
   70   1HG   PRO  11          HG2       PRO  11   7.580   3.200   7.534
   71   2HG   PRO  11          HG3       PRO  11   6.437   4.555   7.513
   72   1HD   PRO  11          HD2       PRO  11   6.220   1.927   8.883
   73   2HD   PRO  11          HD3       PRO  11   5.523   3.496   9.319
   74    H    LEU  12           HN       LEU  12   5.254   0.435   6.089
   75    HA   LEU  12           HA       LEU  12   4.363  -0.250   3.603
   76   1HB   LEU  12          HB2       LEU  12   5.684  -1.606   5.398
   77   2HB   LEU  12          HB3       LEU  12   4.104  -2.239   5.823
   78    HG   LEU  12           HG       LEU  12   3.842  -2.952   3.420
   79   1HD1  LEU  12          HD11      LEU  12   5.893  -3.145   2.085
   80   2HD1  LEU  12          HD12      LEU  12   5.474  -1.465   2.416
   81   3HD1  LEU  12          HD13      LEU  12   6.772  -2.243   3.320
   82   1HD2  LEU  12          HD21      LEU  12   6.130  -4.116   5.004
   83   2HD2  LEU  12          HD22      LEU  12   4.427  -4.554   5.138
   84   3HD2  LEU  12          HD23      LEU  12   5.315  -4.910   3.656
   85    H    SER  13           HN       SER  13   2.454  -0.003   6.526
   86    HA   SER  13           HA       SER  13   0.129  -1.245   5.360
   87   1HB   SER  13          HB2       SER  13   0.486  -1.424   7.761
   88   2HB   SER  13          HB3       SER  13   0.465   0.332   7.922
   89    HG   SER  13           HG       SER  13  -1.608   0.163   8.118
   90    H    GLY  14           HN       GLY  14   1.269   2.030   5.971
   91   1HA   GLY  14          HA1       GLY  14  -1.171   3.132   4.780
   92   2HA   GLY  14          HA2       GLY  14   0.067   4.046   5.629
   93    H    LEU  15           HN       LEU  15   1.314   1.786   3.444
   94    HA   LEU  15           HA       LEU  15   2.410   3.820   1.746
   95   1HB   LEU  15          HB2       LEU  15   2.870   1.072   2.317
   96   2HB   LEU  15          HB3       LEU  15   2.631   1.217   0.589
   97    HG   LEU  15           HG       LEU  15   4.992   1.344   1.111
   98   1HD1  LEU  15          HD11      LEU  15   4.184   2.658  -0.769
   99   2HD1  LEU  15          HD12      LEU  15   3.885   4.027   0.302
  100   3HD1  LEU  15          HD13      LEU  15   5.534   3.466   0.030
  101   1HD2  LEU  15          HD21      LEU  15   5.871   3.281   2.414
  102   2HD2  LEU  15          HD22      LEU  15   4.216   3.650   2.893
  103   3HD2  LEU  15          HD23      LEU  15   4.957   2.125   3.376
  104    H    LEU  16           HN       LEU  16   0.157   1.103   1.186
  105    HA   LEU  16           HA       LEU  16  -0.499   1.698  -1.448
  106   1HB   LEU  16          HB2       LEU  16  -2.401   0.601   0.630
  107   2HB   LEU  16          HB3       LEU  16  -2.545   0.432  -1.106
  108    HG   LEU  16           HG       LEU  16  -1.766  -1.646  -0.521
  109   1HD1  LEU  16          HD11      LEU  16   0.552  -1.868  -1.148
  110   2HD1  LEU  16          HD12      LEU  16  -0.235  -0.663  -2.170
  111   3HD1  LEU  16          HD13      LEU  16   0.825  -0.150  -0.856
  112   1HD2  LEU  16          HD21      LEU  16   0.308  -0.692   1.391
  113   2HD2  LEU  16          HD22      LEU  16  -1.380  -0.766   1.900
  114   3HD2  LEU  16          HD23      LEU  16  -0.562  -2.224   1.339
  115    H    ASN  17           HN       ASN  17  -1.250   3.297   1.459
  116    HA   ASN  17           HA       ASN  17  -3.503   4.800   0.439
  117   1HB   ASN  17          HB2       ASN  17  -1.948   4.761   3.016
  118   2HB   ASN  17          HB3       ASN  17  -3.111   6.046   2.677
  119   1HD2  ASN  17          HD21      ASN  17  -2.676   2.661   3.319
  120   2HD2  ASN  17          HD22      ASN  17  -4.332   2.304   3.653
  121    H    ALA  18           HN       ALA  18  -0.168   5.465   1.448
  122    HA   ALA  18           HA       ALA  18  -0.056   8.186   0.808
  123   1HB   ALA  18          HB1       ALA  18   2.239   8.015   1.119
  124   2HB   ALA  18          HB2       ALA  18   1.608   6.685   2.088
  125   3HB   ALA  18          HB3       ALA  18   2.303   6.365   0.499
  126    H    LEU  19           HN       LEU  19   1.078   5.395  -1.077
  127    HA   LEU  19           HA       LEU  19   1.926   6.628  -3.371
  128   1HB   LEU  19          HB2       LEU  19   0.460   3.997  -3.227
  129   2HB   LEU  19          HB3       LEU  19   1.546   4.514  -4.501
  130    HG   LEU  19           HG       LEU  19   2.413   4.117  -1.641
  131   1HD1  LEU  19          HD11      LEU  19   1.590   2.014  -2.646
  132   2HD1  LEU  19          HD12      LEU  19   2.739   2.225  -3.967
  133   3HD1  LEU  19          HD13      LEU  19   3.323   1.989  -2.318
  134   1HD2  LEU  19          HD21      LEU  19   3.865   5.596  -2.836
  135   2HD2  LEU  19          HD22      LEU  19   4.660   4.027  -2.708
  136   3HD2  LEU  19          HD23      LEU  19   3.904   4.513  -4.225
  137    H    ALA  20           HN       ALA  20  -1.337   6.305  -2.281
  138    HA   ALA  20           HA       ALA  20  -2.660   6.426  -4.774
  139   1HB   ALA  20          HB1       ALA  20  -3.649   7.422  -2.104
  140   2HB   ALA  20          HB2       ALA  20  -4.635   7.047  -3.518
  141   3HB   ALA  20          HB3       ALA  20  -3.768   5.759  -2.680
  142    H    GLN  21           HN       GLN  21  -1.435   8.003  -5.947
  143    HA   GLN  21           HA       GLN  21  -1.475  10.756  -5.068
  144   1HB   GLN  21          HB2       GLN  21  -0.587   9.570  -7.705
  145   2HB   GLN  21          HB3       GLN  21  -0.287  11.215  -7.161
  146   1HG   GLN  21          HG2       GLN  21   1.136  10.438  -5.399
  147   2HG   GLN  21          HG3       GLN  21   0.721   8.761  -5.744
  148   1HE2  GLN  21          HE21      GLN  21   3.339  10.025  -5.690
  149   2HE2  GLN  21          HE22      GLN  21   4.020   9.791  -7.260
  150    H    ASP  22           HN       ASP  22  -2.764   8.998  -7.891
  151    HA   ASP  22           HA       ASP  22  -5.046  10.838  -7.900
  152   1HB   ASP  22          HB2       ASP  22  -4.946  11.027 -10.344
  153   2HB   ASP  22          HB3       ASP  22  -3.478  11.652  -9.600
  154    H    THR  23           HN       THR  23  -6.897   9.759  -7.877
  155    HA   THR  23           HA       THR  23  -6.905   6.904  -8.382
  156    HB   THR  23           HB       THR  23  -9.279   7.026  -7.611
  157    HG1  THR  23           HG1      THR  23  -8.869   9.627  -6.684
  158   1HG2  THR  23          HG21      THR  23  -7.530   6.540  -6.006
  159   2HG2  THR  23          HG22      THR  23  -8.734   7.591  -5.261
  160   3HG2  THR  23          HG23      THR  23  -7.196   8.261  -5.805
  161    H    PHE  24           HN       PHE  24  -8.731   9.734  -9.553
  162    HA   PHE  24           HA       PHE  24  -8.819   8.634 -12.215
  163   1HB   PHE  24          HB2       PHE  24 -11.346   8.785 -12.318
  164   2HB   PHE  24          HB3       PHE  24 -10.702   7.432 -11.395
  165    HD1  PHE  24           HD1      PHE  24 -11.136   7.204  -9.084
  166    HD2  PHE  24           HD2      PHE  24 -12.298  10.745 -11.136
  167    HE1  PHE  24           HE1      PHE  24 -12.481   7.884  -7.139
  168    HE2  PHE  24           HE2      PHE  24 -13.644  11.434  -9.195
  169    HZ   PHE  24           HZ       PHE  24 -13.737  10.001  -7.193
  170    H    HIS  25           HN       HIS  25  -8.901  11.158 -10.026
  171    HA   HIS  25           HA       HIS  25  -9.097  13.094 -12.195
  172   1HB   HIS  25          HB2       HIS  25 -11.379  12.970 -11.296
  173   2HB   HIS  25          HB3       HIS  25 -10.766  13.298  -9.679
  174    HD1  HIS  25           HD1      HIS  25 -10.436  15.709  -9.037
  175    HD2  HIS  25           HD2      HIS  25 -11.191  15.213 -13.093
  176    HE1  HIS  25           HE1      HIS  25 -10.772  18.029  -9.948
  177    HE2  HIS  25           HE2      HIS  25 -11.284  17.701 -12.392
  178    H    GLY  26           HN       GLY  26  -8.939  13.067  -8.626
  179   1HA   GLY  26          HA1       GLY  26  -6.359  13.560  -8.110
  180   2HA   GLY  26          HA2       GLY  26  -6.893  15.128  -8.695
  181    H    TYR  27           HN       TYR  27  -6.572  13.152  -6.005
  182    HA   TYR  27           HA       TYR  27  -8.683  14.424  -4.464
  183   1HB   TYR  27          HB2       TYR  27  -8.193  12.018  -4.154
  184   2HB   TYR  27          HB3       TYR  27  -6.575  12.432  -3.598
  185    HD1  TYR  27           HD1      TYR  27 -10.144  12.440  -2.750
  186    HD2  TYR  27           HD2      TYR  27  -6.219  13.358  -1.388
  187    HE1  TYR  27           HE1      TYR  27 -10.992  12.630  -0.449
  188    HE2  TYR  27           HE2      TYR  27  -7.057  13.551   0.915
  189    HH   TYR  27           HH       TYR  27 -10.111  12.458   1.859
  190    HA   PRO  28           HA       PRO  28  -5.843  17.624  -3.140
  191   1HB   PRO  28          HB2       PRO  28  -7.470  18.884  -1.399
  192   2HB   PRO  28          HB3       PRO  28  -7.690  19.008  -3.149
  193   1HG   PRO  28          HG2       PRO  28  -9.130  17.272  -1.177
  194   2HG   PRO  28          HG3       PRO  28  -9.791  18.227  -2.517
  195   1HD   PRO  28          HD2       PRO  28  -9.350  15.548  -2.683
  196   2HD   PRO  28          HD3       PRO  28  -9.249  16.633  -4.084
  197    H    GLY  29           HN       GLY  29  -4.202  17.225  -1.797
  198   1HA   GLY  29          HA1       GLY  29  -3.747  17.384   0.703
  199   2HA   GLY  29          HA2       GLY  29  -4.801  15.981   0.811
  200    H    ILE  30           HN       ILE  30  -3.781  14.761  -1.636
  201    HA   ILE  30           HA       ILE  30  -1.277  13.720  -0.519
  202    HB   ILE  30           HB       ILE  30  -3.180  12.151  -1.013
  203   1HG1  ILE  30          HG12      ILE  30  -1.646  10.527  -2.337
  204   2HG1  ILE  30          HG13      ILE  30  -0.453  11.816  -2.231
  205   1HG2  ILE  30          HG21      ILE  30  -3.595  11.497  -3.314
  206   2HG2  ILE  30          HG22      ILE  30  -3.942  13.211  -3.084
  207   3HG2  ILE  30          HG23      ILE  30  -2.450  12.713  -3.883
  208   1HD1  ILE  30          HD11      ILE  30  -0.560  11.737   0.190
  209   2HD1  ILE  30          HD12      ILE  30  -1.802  10.489   0.109
  210   3HD1  ILE  30          HD13      ILE  30  -0.171  10.148  -0.469
  211    H    THR  31           HN       THR  31   0.595  13.559  -1.725
  212    HA   THR  31           HA       THR  31   0.668  14.530  -4.462
  213    HB   THR  31           HB       THR  31   2.388  15.889  -2.381
  214    HG1  THR  31           HG1      THR  31   0.952  17.708  -2.815
  215   1HG2  THR  31          HG21      THR  31   1.864  16.440  -5.300
  216   2HG2  THR  31          HG22      THR  31   3.384  15.923  -4.568
  217   3HG2  THR  31          HG23      THR  31   2.740  17.528  -4.225
  218    H    GLU  32           HN       GLU  32   2.776  14.153  -5.476
  219    HA   GLU  32           HA       GLU  32   3.828  11.651  -4.944
  220   1HB   GLU  32          HB2       GLU  32   5.289  13.925  -6.301
  221   2HB   GLU  32          HB3       GLU  32   5.610  12.207  -6.497
  222   1HG   GLU  32          HG2       GLU  32   3.388  11.921  -7.499
  223   2HG   GLU  32          HG3       GLU  32   3.105  13.652  -7.333
  224    H    GLU  33           HN       GLU  33   5.054  14.820  -3.916
  225    HA   GLU  33           HA       GLU  33   7.225  13.575  -2.436
  226   1HB   GLU  33          HB2       GLU  33   6.405  16.482  -2.597
  227   2HB   GLU  33          HB3       GLU  33   7.886  15.866  -1.878
  228   1HG   GLU  33          HG2       GLU  33   8.616  15.051  -4.053
  229   2HG   GLU  33          HG3       GLU  33   7.123  15.644  -4.780
  230    H    LEU  34           HN       LEU  34   4.016  14.129  -1.922
  231    HA   LEU  34           HA       LEU  34   4.149  14.862   0.875
  232   1HB   LEU  34          HB2       LEU  34   2.334  15.609  -0.660
  233   2HB   LEU  34          HB3       LEU  34   1.798  13.952  -0.779
  234    HG   LEU  34           HG       LEU  34   0.506  15.486   0.790
  235   1HD1  LEU  34          HD11      LEU  34  -0.094  13.701   2.141
  236   2HD1  LEU  34          HD12      LEU  34   0.584  12.919   0.712
  237   3HD1  LEU  34          HD13      LEU  34   1.548  13.053   2.183
  238   1HD2  LEU  34          HD21      LEU  34   2.470  16.536   1.847
  239   2HD2  LEU  34          HD22      LEU  34   1.388  15.791   3.023
  240   3HD2  LEU  34          HD23      LEU  34   2.888  14.983   2.571
  241    H    LEU  35           HN       LEU  35   2.837  12.110  -0.936
  242    HA   LEU  35           HA       LEU  35   2.173  10.390   1.042
  243   1HB   LEU  35          HB2       LEU  35   2.845   8.562  -0.573
  244   2HB   LEU  35          HB3       LEU  35   1.721   9.766  -1.172
  245    HG   LEU  35           HG       LEU  35   4.015  10.880  -2.001
  246   1HD1  LEU  35          HD11      LEU  35   5.390   8.985  -2.946
  247   2HD1  LEU  35          HD12      LEU  35   5.507   9.210  -1.200
  248   3HD1  LEU  35          HD13      LEU  35   4.511   7.910  -1.855
  249   1HD2  LEU  35          HD21      LEU  35   2.090  10.414  -3.396
  250   2HD2  LEU  35          HD22      LEU  35   3.559   9.840  -4.185
  251   3HD2  LEU  35          HD23      LEU  35   2.475   8.693  -3.398
  252    H    ARG  36           HN       ARG  36   5.421  10.997  -0.188
  253    HA   ARG  36           HA       ARG  36   6.771   8.986   1.239
  254   1HB   ARG  36          HB2       ARG  36   8.140   9.931  -0.339
  255   2HB   ARG  36          HB3       ARG  36   7.516  11.552  -0.073
  256   1HG   ARG  36          HG2       ARG  36   8.776  11.574   2.098
  257   2HG   ARG  36          HG3       ARG  36   9.530  10.060   1.590
  258   1HD   ARG  36          HD2       ARG  36  10.494  11.130  -0.330
  259   2HD   ARG  36          HD3       ARG  36   9.610  12.617  -0.005
  260    HE   ARG  36           HE       ARG  36  11.726  11.565   1.761
  261   1HH1  ARG  36          HH12      ARG  36  10.070  14.200   0.193
  262   2HH1  ARG  36          HH11      ARG  36  11.091  15.419   0.880
  263   1HH2  ARG  36          HH22      ARG  36  13.076  13.164   2.668
  264   2HH2  ARG  36          HH21      ARG  36  12.800  14.830   2.284
  265    H    SER  37           HN       SER  37   6.466  12.446   1.973
  266    HA   SER  37           HA       SER  37   7.549  12.309   4.548
  267   1HB   SER  37          HB2       SER  37   7.354  14.416   3.318
  268   2HB   SER  37          HB3       SER  37   5.595  14.318   3.404
  269    HG   SER  37           HG       SER  37   5.727  15.216   5.284
  270    H    GLN  38           HN       GLN  38   4.472  11.385   3.346
  271    HA   GLN  38           HA       GLN  38   2.881  11.807   5.625
  272   1HB   GLN  38          HB2       GLN  38   2.508  10.793   3.060
  273   2HB   GLN  38          HB3       GLN  38   2.122   9.445   4.119
  274   1HG   GLN  38          HG2       GLN  38   0.540  10.876   5.334
  275   2HG   GLN  38          HG3       GLN  38   0.902  12.192   4.220
  276   1HE2  GLN  38          HE21      GLN  38  -1.198  12.331   3.478
  277   2HE2  GLN  38          HE22      GLN  38  -1.908  11.129   2.458
  278    H    LEU  39           HN       LEU  39   5.036   9.152   4.728
  279    HA   LEU  39           HA       LEU  39   4.741   8.125   7.450
  280   1HB   LEU  39          HB2       LEU  39   4.607   6.333   5.029
  281   2HB   LEU  39          HB3       LEU  39   4.525   5.829   6.707
  282    HG   LEU  39           HG       LEU  39   2.449   7.626   6.528
  283   1HD1  LEU  39          HD11      LEU  39   2.494   6.007   3.985
  284   2HD1  LEU  39          HD12      LEU  39   1.177   7.035   4.547
  285   3HD1  LEU  39          HD13      LEU  39   2.722   7.752   4.093
  286   1HD2  LEU  39          HD21      LEU  39   2.331   4.645   6.090
  287   2HD2  LEU  39          HD22      LEU  39   2.467   5.442   7.657
  288   3HD2  LEU  39          HD23      LEU  39   1.023   5.675   6.673
  289    H    TYR  40           HN       TYR  40   6.526   7.797   4.380
  290    HA   TYR  40           HA       TYR  40   8.905   7.083   5.957
  291   1HB   TYR  40          HB2       TYR  40   9.792   6.377   3.621
  292   2HB   TYR  40          HB3       TYR  40   8.645   5.344   4.452
  293    HD1  TYR  40           HD1      TYR  40   6.149   5.606   3.799
  294    HD2  TYR  40           HD2      TYR  40   9.376   7.064   1.441
  295    HE1  TYR  40           HE1      TYR  40   4.690   5.629   1.820
  296    HE2  TYR  40           HE2      TYR  40   7.924   7.093  -0.542
  297    HH   TYR  40           HH       TYR  40   5.887   6.035  -1.345
  298    HA   PRO  41           HA       PRO  41   9.957  11.306   4.530
  299   1HB   PRO  41          HB2       PRO  41  11.319  12.053   6.722
  300   2HB   PRO  41          HB3       PRO  41   9.551  12.069   6.678
  301   1HG   PRO  41          HG2       PRO  41  11.395  10.022   7.854
  302   2HG   PRO  41          HG3       PRO  41   9.910  10.710   8.536
  303   1HD   PRO  41          HD2       PRO  41  10.002   8.283   7.295
  304   2HD   PRO  41          HD3       PRO  41   8.555   9.310   7.322
  305    H    GLU  42           HN       GLU  42  11.749   8.542   5.443
  306    HA   GLU  42           HA       GLU  42  14.352   9.648   4.898
  307   1HB   GLU  42          HB2       GLU  42  15.142   7.326   5.178
  308   2HB   GLU  42          HB3       GLU  42  14.152   7.863   6.527
  309   1HG   GLU  42          HG2       GLU  42  12.255   6.632   5.664
  310   2HG   GLU  42          HG3       GLU  42  13.190   6.144   4.252
  311    H    VAL  43           HN       VAL  43  12.041   7.552   3.228
  312    HA   VAL  43           HA       VAL  43  13.735   7.185   0.933
  313    HB   VAL  43           HB       VAL  43  10.981   6.338   1.689
  314   1HG1  VAL  43          HG11      VAL  43  10.400   7.141  -0.438
  315   2HG1  VAL  43          HG12      VAL  43  11.930   6.623  -1.146
  316   3HG1  VAL  43          HG13      VAL  43  10.723   5.424  -0.680
  317   1HG2  VAL  43          HG21      VAL  43  13.335   4.937   0.448
  318   2HG2  VAL  43          HG22      VAL  43  12.832   4.865   2.141
  319   3HG2  VAL  43          HG23      VAL  43  11.805   4.173   0.882
  320    HA   PRO  44           HA       PRO  44  12.603  11.280  -0.701
  321   1HB   PRO  44          HB2       PRO  44  13.875  10.728  -3.136
  322   2HB   PRO  44          HB3       PRO  44  14.601  11.562  -1.760
  323   1HG   PRO  44          HG2       PRO  44  14.827   8.707  -2.582
  324   2HG   PRO  44          HG3       PRO  44  16.047   9.770  -1.856
  325   1HD   PRO  44          HD2       PRO  44  14.806   7.900  -0.405
  326   2HD   PRO  44          HD3       PRO  44  15.193   9.490   0.286
  327    HA   PRO  45           HA       PRO  45   9.178  10.084  -3.245
  328   1HB   PRO  45          HB2       PRO  45   9.502  12.512  -4.868
  329   2HB   PRO  45          HB3       PRO  45   8.210  12.083  -3.743
  330   1HG   PRO  45          HG2       PRO  45   9.961  14.025  -3.161
  331   2HG   PRO  45          HG3       PRO  45   9.349  12.928  -1.902
  332   1HD   PRO  45          HD2       PRO  45  11.950  12.802  -3.407
  333   2HD   PRO  45          HD3       PRO  45  11.661  12.669  -1.656
  334    H    GLU  46           HN       GLU  46  11.803   9.119  -4.123
  335    HA   GLU  46           HA       GLU  46  11.137   8.630  -6.909
  336   1HB   GLU  46          HB2       GLU  46  13.410   9.123  -7.687
  337   2HB   GLU  46          HB3       GLU  46  12.634  10.554  -7.023
  338   1HG   GLU  46          HG2       GLU  46  13.874  10.252  -4.935
  339   2HG   GLU  46          HG3       GLU  46  14.659   8.827  -5.615
  340    H    GLU  47           HN       GLU  47  13.105   7.870  -4.080
  341    HA   GLU  47           HA       GLU  47  14.037   5.375  -5.208
  342   1HB   GLU  47          HB2       GLU  47  15.503   5.273  -3.481
  343   2HB   GLU  47          HB3       GLU  47  15.145   6.990  -3.380
  344   1HG   GLU  47          HG2       GLU  47  13.723   6.683  -1.543
  345   2HG   GLU  47          HG3       GLU  47  13.637   4.944  -1.809
  346    H    PHE  48           HN       PHE  48  11.137   6.296  -4.073
  347    HA   PHE  48           HA       PHE  48  10.526   4.041  -2.400
  348   1HB   PHE  48          HB2       PHE  48   8.311   4.932  -2.276
  349   2HB   PHE  48          HB3       PHE  48   9.428   6.288  -2.201
  350    HD1  PHE  48           HD1      PHE  48   9.962   7.396  -4.537
  351    HD2  PHE  48           HD2      PHE  48   6.498   5.082  -3.674
  352    HE1  PHE  48           HE1      PHE  48   8.779   8.478  -6.404
  353    HE2  PHE  48           HE2      PHE  48   5.309   6.158  -5.540
  354    HZ   PHE  48           HZ       PHE  48   6.450   7.859  -6.907
  355    H    ARG  49           HN       ARG  49  10.127   4.880  -5.777
  356    HA   ARG  49           HA       ARG  49   8.265   3.006  -6.574
  357   1HB   ARG  49          HB2       ARG  49  10.581   4.171  -8.047
  358   2HB   ARG  49          HB3       ARG  49   9.382   3.144  -8.811
  359   1HG   ARG  49          HG2       ARG  49   7.862   4.780  -8.890
  360   2HG   ARG  49          HG3       ARG  49   8.253   5.344  -7.266
  361   1HD   ARG  49          HD2       ARG  49  10.162   6.553  -8.090
  362   2HD   ARG  49          HD3       ARG  49   9.925   5.895  -9.711
  363    HE   ARG  49           HE       ARG  49   7.587   7.224  -8.960
  364   1HH1  ARG  49          HH12      ARG  49  10.916   7.955  -9.682
  365   2HH1  ARG  49          HH11      ARG  49  10.572   9.550 -10.264
  366   1HH2  ARG  49          HH22      ARG  49   7.124   9.319  -9.725
  367   2HH2  ARG  49          HH21      ARG  49   8.416  10.326 -10.288
  368    HA   PRO  50           HA       PRO  50  11.945  -0.083  -7.554
  369   1HB   PRO  50          HB2       PRO  50  13.866   0.073  -5.533
  370   2HB   PRO  50          HB3       PRO  50  14.068   0.633  -7.193
  371   1HG   PRO  50          HG2       PRO  50  13.415   2.176  -4.739
  372   2HG   PRO  50          HG3       PRO  50  14.375   2.655  -6.148
  373   1HD   PRO  50          HD2       PRO  50  11.866   3.551  -5.751
  374   2HD   PRO  50          HD3       PRO  50  12.504   3.244  -7.378
  375    H    PHE  51           HN       PHE  51  11.138   0.977  -4.273
  376    HA   PHE  51           HA       PHE  51  11.042  -1.698  -3.254
  377   1HB   PHE  51          HB2       PHE  51  11.342   0.639  -2.016
  378   2HB   PHE  51          HB3       PHE  51   9.586   0.523  -1.899
  379    HD1  PHE  51           HD1      PHE  51   8.555  -1.379  -0.706
  380    HD2  PHE  51           HD2      PHE  51  12.756  -0.718  -0.702
  381    HE1  PHE  51           HE1      PHE  51   8.785  -2.881   1.225
  382    HE2  PHE  51           HE2      PHE  51  12.996  -2.216   1.228
  383    HZ   PHE  51           HZ       PHE  51  11.009  -3.304   2.199
  384    H    LEU  52           HN       LEU  52   8.953   0.307  -5.058
  385    HA   LEU  52           HA       LEU  52   6.497  -0.937  -4.216
  386   1HB   LEU  52          HB2       LEU  52   7.087   0.826  -6.589
  387   2HB   LEU  52          HB3       LEU  52   5.489   0.312  -6.092
  388    HG   LEU  52           HG       LEU  52   7.348   2.170  -4.627
  389   1HD1  LEU  52          HD11      LEU  52   5.633   3.799  -4.994
  390   2HD1  LEU  52          HD12      LEU  52   6.046   3.061  -6.541
  391   3HD1  LEU  52          HD13      LEU  52   4.568   2.584  -5.704
  392   1HD2  LEU  52          HD21      LEU  52   4.716   1.005  -3.741
  393   2HD2  LEU  52          HD22      LEU  52   6.291   0.735  -2.997
  394   3HD2  LEU  52          HD23      LEU  52   5.554   2.336  -2.943
  395    H    ALA  53           HN       ALA  53   9.005  -1.741  -6.382
  396    HA   ALA  53           HA       ALA  53   7.667  -3.006  -8.454
  397   1HB   ALA  53          HB1       ALA  53   9.666  -4.398  -8.719
  398   2HB   ALA  53          HB2       ALA  53  10.098  -2.715  -8.414
  399   3HB   ALA  53          HB3       ALA  53  10.225  -3.907  -7.120
  400    H    LYS  54           HN       LYS  54   7.773  -3.785  -5.153
  401    HA   LYS  54           HA       LYS  54   6.430  -6.353  -5.668
  402   1HB   LYS  54          HB2       LYS  54   8.194  -5.659  -3.313
  403   2HB   LYS  54          HB3       LYS  54   7.379  -7.195  -3.575
  404   1HG   LYS  54          HG2       LYS  54   8.730  -7.633  -5.522
  405   2HG   LYS  54          HG3       LYS  54   9.481  -6.042  -5.394
  406   1HD   LYS  54          HD2       LYS  54   9.647  -8.157  -3.254
  407   2HD   LYS  54          HD3       LYS  54  10.870  -7.926  -4.505
  408   1HE   LYS  54          HE2       LYS  54  10.012  -5.895  -2.446
  409   2HE   LYS  54          HE3       LYS  54  11.520  -6.808  -2.442
  410   1HZ   LYS  54          HZ1       LYS  54  10.691  -4.863  -4.529
  411   2HZ   LYS  54          HZ2       LYS  54  12.146  -5.725  -4.505
  412   3HZ   LYS  54          HZ3       LYS  54  11.827  -4.570  -3.309
  413    H    MET  55           HN       MET  55   5.984  -3.285  -4.728
  414    HA   MET  55           HA       MET  55   3.710  -3.959  -2.985
  415   1HB   MET  55          HB2       MET  55   5.880  -1.933  -2.578
  416   2HB   MET  55          HB3       MET  55   4.266  -1.599  -1.966
  417   1HG   MET  55          HG2       MET  55   5.617  -4.182  -1.303
  418   2HG   MET  55          HG3       MET  55   6.013  -2.706  -0.421
  419   1HE   MET  55          HE1       MET  55   4.239  -1.287   0.953
  420   2HE   MET  55          HE2       MET  55   3.165  -1.197  -0.444
  421   3HE   MET  55          HE3       MET  55   2.540  -1.731   1.117
  422    H    ARG  56           HN       ARG  56   4.162  -3.195  -5.931
  423    HA   ARG  56           HA       ARG  56   2.593  -0.719  -6.049
  424   1HB   ARG  56          HB2       ARG  56   3.234  -0.573  -8.360
  425   2HB   ARG  56          HB3       ARG  56   4.676  -0.927  -7.417
  426   1HG   ARG  56          HG2       ARG  56   4.237  -3.376  -8.011
  427   2HG   ARG  56          HG3       ARG  56   3.141  -2.738  -9.239
  428   1HD   ARG  56          HD2       ARG  56   6.015  -1.891  -8.967
  429   2HD   ARG  56          HD3       ARG  56   5.486  -3.204 -10.020
  430    HE   ARG  56           HE       ARG  56   4.169  -0.651 -10.424
  431   1HH1  ARG  56          HH12      ARG  56   6.728  -2.815 -11.384
  432   2HH1  ARG  56          HH11      ARG  56   6.933  -2.087 -12.942
  433   1HH2  ARG  56          HH22      ARG  56   4.436   0.313 -12.474
  434   2HH2  ARG  56          HH21      ARG  56   5.630  -0.311 -13.562
  435    H    GLY  57           HN       GLY  57   2.331  -4.126  -6.526
  436   1HA   GLY  57          HA1       GLY  57   0.228  -4.258  -8.360
  437   2HA   GLY  57          HA2       GLY  57   0.568  -5.462  -7.130
  438    H    ILE  58           HN       ILE  58   0.171  -3.754  -4.876
  439    HA   ILE  58           HA       ILE  58  -2.706  -3.886  -4.732
  440    HB   ILE  58           HB       ILE  58  -0.845  -2.829  -2.612
  441   1HG1  ILE  58          HG12      ILE  58  -1.410  -5.417  -1.897
  442   2HG1  ILE  58          HG13      ILE  58  -1.196  -5.556  -3.638
  443   1HG2  ILE  58          HG21      ILE  58  -2.615  -3.639  -1.098
  444   2HG2  ILE  58          HG22      ILE  58  -3.181  -2.391  -2.208
  445   3HG2  ILE  58          HG23      ILE  58  -3.582  -4.082  -2.505
  446   1HD1  ILE  58          HD11      ILE  58   0.883  -5.965  -2.442
  447   2HD1  ILE  58          HD12      ILE  58   1.002  -4.534  -3.466
  448   3HD1  ILE  58          HD13      ILE  58   0.792  -4.358  -1.724
  449    H    LEU  59           HN       LEU  59  -0.497  -1.601  -5.726
  450    HA   LEU  59           HA       LEU  59  -1.683   0.778  -4.694
  451   1HB   LEU  59          HB2       LEU  59   0.690   0.257  -5.783
  452   2HB   LEU  59          HB3       LEU  59  -0.130   0.792  -7.232
  453    HG   LEU  59           HG       LEU  59   0.254   2.411  -4.711
  454   1HD1  LEU  59          HD11      LEU  59   1.639   3.820  -6.227
  455   2HD1  LEU  59          HD12      LEU  59   2.305   2.216  -5.923
  456   3HD1  LEU  59          HD13      LEU  59   1.496   2.559  -7.451
  457   1HD2  LEU  59          HD21      LEU  59  -1.865   2.976  -5.746
  458   2HD2  LEU  59          HD22      LEU  59  -0.697   4.267  -6.025
  459   3HD2  LEU  59          HD23      LEU  59  -1.083   3.134  -7.320
  460    H    LYS  60           HN       LYS  60  -1.598  -0.518  -8.031
  461    HA   LYS  60           HA       LYS  60  -3.620   1.276  -8.916
  462   1HB   LYS  60          HB2       LYS  60  -3.447   0.254 -11.026
  463   2HB   LYS  60          HB3       LYS  60  -1.828   0.186 -10.350
  464   1HG   LYS  60          HG2       LYS  60  -3.692  -2.134 -10.072
  465   2HG   LYS  60          HG3       LYS  60  -2.775  -1.879 -11.555
  466   1HD   LYS  60          HD2       LYS  60  -0.701  -1.807 -10.147
  467   2HD   LYS  60          HD3       LYS  60  -1.695  -2.305  -8.775
  468   1HE   LYS  60          HE2       LYS  60  -1.338  -3.831 -11.353
  469   2HE   LYS  60          HE3       LYS  60  -0.581  -4.221  -9.811
  470   1HZ   LYS  60          HZ1       LYS  60  -3.503  -4.201 -10.339
  471   2HZ   LYS  60          HZ2       LYS  60  -2.771  -4.597  -8.868
  472   3HZ   LYS  60          HZ3       LYS  60  -2.535  -5.584 -10.221
  473    H    SER  61           HN       SER  61  -3.718  -1.692  -7.258
  474    HA   SER  61           HA       SER  61  -6.285  -2.549  -8.206
  475   1HB   SER  61          HB2       SER  61  -4.675  -3.366  -5.777
  476   2HB   SER  61          HB3       SER  61  -6.174  -4.144  -6.285
  477    HG   SER  61           HG       SER  61  -4.076  -5.078  -7.016
  478    H    ILE  62           HN       ILE  62  -5.085  -0.820  -5.364
  479    HA   ILE  62           HA       ILE  62  -7.743  -0.552  -4.258
  480    HB   ILE  62           HB       ILE  62  -5.077   0.549  -3.369
  481   1HG1  ILE  62          HG12      ILE  62  -6.873  -1.625  -2.258
  482   2HG1  ILE  62          HG13      ILE  62  -5.352  -1.874  -3.109
  483   1HG2  ILE  62          HG21      ILE  62  -6.213   1.245  -1.308
  484   2HG2  ILE  62          HG22      ILE  62  -6.847   2.095  -2.716
  485   3HG2  ILE  62          HG23      ILE  62  -7.763   0.768  -2.003
  486   1HD1  ILE  62          HD11      ILE  62  -4.180  -0.698  -1.295
  487   2HD1  ILE  62          HD12      ILE  62  -5.712  -0.544  -0.435
  488   3HD1  ILE  62          HD13      ILE  62  -5.029  -2.141  -0.742
  489    H    ALA  63           HN       ALA  63  -5.329   1.631  -5.699
  490    HA   ALA  63           HA       ALA  63  -7.118   3.892  -5.499
  491   1HB   ALA  63          HB1       ALA  63  -4.716   4.170  -5.150
  492   2HB   ALA  63          HB2       ALA  63  -4.422   3.695  -6.822
  493   3HB   ALA  63          HB3       ALA  63  -5.309   5.177  -6.470
  494    H    SER  64           HN       SER  64  -5.428   2.406  -8.277
  495    HA   SER  64           HA       SER  64  -6.994   3.788 -10.189
  496   1HB   SER  64          HB2       SER  64  -4.743   3.040 -10.711
  497   2HB   SER  64          HB3       SER  64  -5.230   1.357 -10.515
  498    HG   SER  64           HG       SER  64  -6.658   1.654 -12.283
  499    H    ALA  65           HN       ALA  65  -7.453   0.715  -8.585
  500    HA   ALA  65           HA       ALA  65  -9.666   0.132 -10.438
  501   1HB   ALA  65          HB1       ALA  65  -7.946  -1.605 -10.317
  502   2HB   ALA  65          HB2       ALA  65  -8.242  -1.772  -8.588
  503   3HB   ALA  65          HB3       ALA  65  -9.509  -2.185  -9.741
  504    H    ASP  66           HN       ASP  66  -8.833   0.425  -7.021
  505    HA   ASP  66           HA       ASP  66 -10.105   0.649  -5.148
  506   1HB   ASP  66          HB2       ASP  66 -11.003   2.591  -6.366
  507   2HB   ASP  66          HB3       ASP  66 -12.219   1.559  -7.115
  508    H    MET  67           HN       MET  67 -10.193  -1.486  -4.552
  509    HA   MET  67           HA       MET  67 -12.577  -2.998  -5.393
  510   1HB   MET  67          HB2       MET  67  -9.983  -4.042  -4.247
  511   2HB   MET  67          HB3       MET  67 -11.337  -5.017  -4.800
  512   1HG   MET  67          HG2       MET  67  -9.854  -3.136  -6.608
  513   2HG   MET  67          HG3       MET  67  -9.362  -4.810  -6.360
  514   1HE   MET  67          HE1       MET  67 -10.900  -5.158  -9.881
  515   2HE   MET  67          HE2       MET  67  -9.850  -3.888  -9.250
  516   3HE   MET  67          HE3       MET  67  -9.555  -5.572  -8.817
  517    H    ASP  68           HN       ASP  68 -12.459  -4.942  -3.377
  518    HA   ASP  68           HA       ASP  68 -12.604  -3.582  -0.822
  519   1HB   ASP  68          HB2       ASP  68 -14.820  -3.138  -1.761
  520   2HB   ASP  68          HB3       ASP  68 -15.049  -4.857  -2.069
  521    H    PHE  69           HN       PHE  69 -13.519  -6.587  -2.512
  522    HA   PHE  69           HA       PHE  69 -11.771  -8.153  -0.871
  523   1HB   PHE  69          HB2       PHE  69 -13.604  -7.899   0.715
  524   2HB   PHE  69          HB3       PHE  69 -14.766  -8.425  -0.497
  525    HD1  PHE  69           HD1      PHE  69 -15.270 -10.687  -0.771
  526    HD2  PHE  69           HD2      PHE  69 -11.860  -9.551   1.509
  527    HE1  PHE  69           HE1      PHE  69 -14.999 -13.016  -0.023
  528    HE2  PHE  69           HE2      PHE  69 -11.583 -11.878   2.259
  529    HZ   PHE  69           HZ       PHE  69 -13.153 -13.614   1.493
  530    H    ASN  70           HN       ASN  70 -11.822 -10.455  -1.465
  531    HA   ASN  70           HA       ASN  70 -11.844 -12.166  -2.938
  532   1HB   ASN  70          HB2       ASN  70 -14.357 -11.670  -2.821
  533   2HB   ASN  70          HB3       ASN  70 -14.144 -10.852  -4.367
  534   1HD2  ASN  70          HD21      ASN  70 -13.490 -12.065  -6.172
  535   2HD2  ASN  70          HD22      ASN  70 -13.719 -13.773  -6.230
  536    H    GLN  71           HN       GLN  71 -11.112  -9.082  -3.715
  537    HA   GLN  71           HA       GLN  71 -10.283  -9.782  -6.455
  538   1HB   GLN  71          HB2       GLN  71 -10.697  -7.029  -5.271
  539   2HB   GLN  71          HB3       GLN  71 -10.250  -7.384  -6.934
  540   1HG   GLN  71          HG2       GLN  71 -12.829  -8.228  -5.635
  541   2HG   GLN  71          HG3       GLN  71 -12.630  -6.803  -6.653
  542   1HE2  GLN  71          HE21      GLN  71 -12.775 -10.268  -6.561
  543   2HE2  GLN  71          HE22      GLN  71 -12.930 -10.513  -8.264
  544    H    LEU  72           HN       LEU  72  -9.332  -8.196  -3.456
  545    HA   LEU  72           HA       LEU  72  -6.566  -7.975  -4.318
  546   1HB   LEU  72          HB2       LEU  72  -8.229  -6.896  -2.146
  547   2HB   LEU  72          HB3       LEU  72  -6.573  -7.252  -1.697
  548    HG   LEU  72           HG       LEU  72  -6.871  -4.916  -2.354
  549   1HD1  LEU  72          HD11      LEU  72  -5.049  -4.778  -3.982
  550   2HD1  LEU  72          HD12      LEU  72  -4.700  -5.954  -2.716
  551   3HD1  LEU  72          HD13      LEU  72  -5.215  -6.502  -4.312
  552   1HD2  LEU  72          HD21      LEU  72  -8.713  -5.491  -3.993
  553   2HD2  LEU  72          HD22      LEU  72  -7.564  -4.243  -4.486
  554   3HD2  LEU  72          HD23      LEU  72  -7.426  -5.877  -5.136
  555    H    GLU  73           HN       GLU  73  -8.568  -9.981  -2.295
  556    HA   GLU  73           HA       GLU  73  -6.604 -11.165  -0.689
  557   1HB   GLU  73          HB2       GLU  73  -9.031 -11.399  -0.308
  558   2HB   GLU  73          HB3       GLU  73  -9.151 -12.409  -1.742
  559   1HG   GLU  73          HG2       GLU  73  -9.145 -13.757   0.267
  560   2HG   GLU  73          HG3       GLU  73  -7.704 -14.072  -0.700
  561    H    ALA  74           HN       ALA  74  -7.347 -11.577  -4.031
  562    HA   ALA  74           HA       ALA  74  -6.061 -14.142  -4.293
  563   1HB   ALA  74          HB1       ALA  74  -6.431 -13.860  -6.685
  564   2HB   ALA  74          HB2       ALA  74  -7.901 -13.505  -5.775
  565   3HB   ALA  74          HB3       ALA  74  -6.925 -12.187  -6.421
  566    H    PHE  75           HN       PHE  75  -5.078 -10.848  -4.304
  567    HA   PHE  75           HA       PHE  75  -2.619 -11.366  -5.753
  568   1HB   PHE  75          HB2       PHE  75  -3.730  -9.222  -6.104
  569   2HB   PHE  75          HB3       PHE  75  -3.603  -8.860  -4.385
  570    HD1  PHE  75           HD1      PHE  75  -1.427  -8.360  -3.376
  571    HD2  PHE  75           HD2      PHE  75  -1.859  -8.980  -7.566
  572    HE1  PHE  75           HE1      PHE  75   0.787  -7.350  -3.753
  573    HE2  PHE  75           HE2      PHE  75   0.352  -7.971  -7.949
  574    HZ   PHE  75           HZ       PHE  75   1.679  -7.156  -6.040
  575    H    LEU  76           HN       LEU  76  -3.630 -10.569  -2.475
  576    HA   LEU  76           HA       LEU  76  -1.167 -10.256  -1.262
  577   1HB   LEU  76          HB2       LEU  76  -3.715 -10.183  -0.444
  578   2HB   LEU  76          HB3       LEU  76  -3.253 -11.730   0.239
  579    HG   LEU  76           HG       LEU  76  -3.040  -9.893   1.847
  580   1HD1  LEU  76          HD11      LEU  76  -0.831 -10.409   2.651
  581   2HD1  LEU  76          HD12      LEU  76  -1.586 -11.870   2.010
  582   3HD1  LEU  76          HD13      LEU  76  -0.362 -11.020   1.063
  583   1HD2  LEU  76          HD21      LEU  76  -2.393  -8.226   0.014
  584   2HD2  LEU  76          HD22      LEU  76  -1.615  -8.077   1.590
  585   3HD2  LEU  76          HD23      LEU  76  -0.754  -8.822   0.245
  586    H    THR  77           HN       THR  77  -2.667 -13.156  -2.414
  587    HA   THR  77           HA       THR  77  -0.920 -14.913  -0.902
  588    HB   THR  77           HB       THR  77  -2.816 -15.600  -3.161
  589    HG1  THR  77           HG1      THR  77  -3.228 -15.820  -0.348
  590   1HG2  THR  77          HG21      THR  77  -2.704 -17.874  -2.220
  591   2HG2  THR  77          HG22      THR  77  -1.494 -17.324  -1.062
  592   3HG2  THR  77          HG23      THR  77  -1.129 -17.317  -2.787
  593    H    ALA  78           HN       ALA  78  -1.049 -13.391  -4.004
  594    HA   ALA  78           HA       ALA  78   0.869 -15.092  -5.286
  595   1HB   ALA  78          HB1       ALA  78  -0.131 -12.351  -6.047
  596   2HB   ALA  78          HB2       ALA  78   0.812 -13.429  -7.079
  597   3HB   ALA  78          HB3       ALA  78  -0.814 -13.890  -6.574
  598    H    GLN  79           HN       GLN  79   0.953 -11.925  -3.705
  599    HA   GLN  79           HA       GLN  79   3.596 -11.238  -4.327
  600   1HB   GLN  79          HB2       GLN  79   3.416  -9.743  -2.335
  601   2HB   GLN  79          HB3       GLN  79   2.076  -9.592  -3.466
  602   1HG   GLN  79          HG2       GLN  79   0.596 -10.699  -2.056
  603   2HG   GLN  79          HG3       GLN  79   1.891 -11.393  -1.082
  604   1HE2  GLN  79          HE21      GLN  79   1.892  -8.063  -2.093
  605   2HE2  GLN  79          HE22      GLN  79   1.590  -7.386  -0.540
  606    H    THR  80           HN       THR  80   2.387 -13.664  -2.291
  607    HA   THR  80           HA       THR  80   4.924 -13.818  -0.806
  608    HB   THR  80           HB       THR  80   3.598 -15.444   0.667
  609    HG1  THR  80           HG1      THR  80   1.293 -14.115  -0.203
  610   1HG2  THR  80          HG21      THR  80   2.583 -13.619   1.956
  611   2HG2  THR  80          HG22      THR  80   2.765 -12.542   0.572
  612   3HG2  THR  80          HG23      THR  80   4.193 -13.183   1.385
  613    H    LYS  81           HN       LYS  81   3.158 -15.249  -3.309
  614    HA   LYS  81           HA       LYS  81   4.621 -17.785  -3.018
  615   1HB   LYS  81          HB2       LYS  81   2.066 -17.120  -4.472
  616   2HB   LYS  81          HB3       LYS  81   2.935 -18.629  -4.718
  617   1HG   LYS  81          HG2       LYS  81   2.719 -19.084  -2.287
  618   2HG   LYS  81          HG3       LYS  81   1.717 -17.639  -2.151
  619   1HD   LYS  81          HD2       LYS  81   0.056 -18.576  -3.599
  620   2HD   LYS  81          HD3       LYS  81   1.097 -19.948  -3.987
  621   1HE   LYS  81          HE2       LYS  81   1.004 -20.651  -1.629
  622   2HE   LYS  81          HE3       LYS  81  -0.086 -19.308  -1.286
  623   1HZ   LYS  81          HZ1       LYS  81  -0.645 -21.523  -3.184
  624   2HZ   LYS  81          HZ2       LYS  81  -1.697 -20.258  -2.794
  625   3HZ   LYS  81          HZ3       LYS  81  -1.275 -21.397  -1.618
  626    H    LYS  82           HN       LYS  82   4.976 -14.925  -4.488
  627    HA   LYS  82           HA       LYS  82   5.752 -15.916  -7.112
  628   1HB   LYS  82          HB2       LYS  82   6.149 -13.617  -7.694
  629   2HB   LYS  82          HB3       LYS  82   4.608 -13.711  -6.854
  630   1HG   LYS  82          HG2       LYS  82   5.460 -12.694  -4.942
  631   2HG   LYS  82          HG3       LYS  82   7.130 -13.032  -5.401
  632   1HD   LYS  82          HD2       LYS  82   6.843 -10.732  -5.796
  633   2HD   LYS  82          HD3       LYS  82   6.733 -11.488  -7.386
  634   1HE   LYS  82          HE2       LYS  82   4.254 -11.460  -7.148
  635   2HE   LYS  82          HE3       LYS  82   4.457 -10.544  -5.655
  636   1HZ   LYS  82          HZ1       LYS  82   5.579  -8.811  -6.926
  637   2HZ   LYS  82          HZ2       LYS  82   4.012  -9.075  -7.504
  638   3HZ   LYS  82          HZ3       LYS  82   5.340  -9.683  -8.357
  639    H    GLN  83           HN       GLN  83   7.933 -14.949  -7.933
  640    HA   GLN  83           HA       GLN  83   9.980 -15.905  -6.099
  641   1HB   GLN  83          HB2       GLN  83  11.482 -15.705  -8.067
  642   2HB   GLN  83          HB3       GLN  83  10.100 -16.754  -8.349
  643   1HG   GLN  83          HG2       GLN  83   8.975 -14.942  -9.546
  644   2HG   GLN  83          HG3       GLN  83  10.374 -13.904  -9.276
  645   1HE2  GLN  83          HE21      GLN  83  12.258 -16.114  -9.647
  646   2HE2  GLN  83          HE22      GLN  83  12.308 -16.413 -11.347
  647    H    GLY  84           HN       GLY  84  11.524 -14.653  -5.163
  648   1HA   GLY  84          HA1       GLY  84  12.539 -12.744  -4.382
  649   2HA   GLY  84          HA2       GLY  84  12.322 -12.101  -6.006
  650    H    GLY  85           HN       GLY  85   9.491 -13.123  -4.391
  651   1HA   GLY  85          HA1       GLY  85   8.285 -10.568  -4.499
  652   2HA   GLY  85          HA2       GLY  85   7.633 -11.986  -3.698
  653    H    ILE  86           HN       ILE  86   7.053 -11.395  -1.734
  654    HA   ILE  86           HA       ILE  86   9.008  -9.881  -0.128
  655    HB   ILE  86           HB       ILE  86   7.189  -8.781   1.039
  656   1HG1  ILE  86          HG12      ILE  86   5.358 -10.234  -0.890
  657   2HG1  ILE  86          HG13      ILE  86   5.521 -10.602   0.824
  658   1HG2  ILE  86          HG21      ILE  86   6.990  -8.582  -1.965
  659   2HG2  ILE  86          HG22      ILE  86   6.343  -7.390  -0.834
  660   3HG2  ILE  86          HG23      ILE  86   8.082  -7.680  -0.915
  661   1HD1  ILE  86          HD11      ILE  86   4.423  -8.086  -0.400
  662   2HD1  ILE  86          HD12      ILE  86   3.542  -9.318   0.502
  663   3HD1  ILE  86          HD13      ILE  86   4.725  -8.304   1.323
  664    H    THR  87           HN       THR  87   8.535 -10.116   2.289
  665    HA   THR  87           HA       THR  87   8.460 -12.962   2.857
  666    HB   THR  87           HB       THR  87   9.167 -12.335   5.126
  667    HG1  THR  87           HG1      THR  87   9.058  -9.658   4.146
  668   1HG2  THR  87          HG21      THR  87  10.910 -12.662   3.495
  669   2HG2  THR  87          HG22      THR  87  11.345 -11.292   4.518
  670   3HG2  THR  87          HG23      THR  87  10.713 -11.016   2.895
  671    H    SER  88           HN       SER  88   7.430 -13.483   5.116
  672    HA   SER  88           HA       SER  88   4.634 -13.256   4.812
  673   1HB   SER  88          HB2       SER  88   6.260 -14.129   7.214
  674   2HB   SER  88          HB3       SER  88   4.522 -14.365   7.028
  675    HG   SER  88           HG       SER  88   6.207 -16.082   6.341
  676    H    ASP  89           HN       ASP  89   6.942 -11.642   6.958
  677    HA   ASP  89           HA       ASP  89   5.121 -10.219   8.530
  678   1HB   ASP  89          HB2       ASP  89   7.476 -10.350   9.122
  679   2HB   ASP  89          HB3       ASP  89   7.923  -9.470   7.664
  680    H    GLN  90           HN       GLN  90   6.414  -9.598   5.342
  681    HA   GLN  90           HA       GLN  90   5.523  -6.925   5.081
  682   1HB   GLN  90          HB2       GLN  90   6.249  -9.067   3.090
  683   2HB   GLN  90          HB3       GLN  90   5.717  -7.471   2.578
  684   1HG   GLN  90          HG2       GLN  90   7.908  -7.571   4.562
  685   2HG   GLN  90          HG3       GLN  90   8.282  -8.128   2.931
  686   1HE2  GLN  90          HE21      GLN  90   6.466  -6.371   1.602
  687   2HE2  GLN  90          HE22      GLN  90   7.124  -4.776   1.703
  688    H    ALA  91           HN       ALA  91   4.124 -10.034   4.120
  689    HA   ALA  91           HA       ALA  91   1.778  -8.937   2.955
  690   1HB   ALA  91          HB1       ALA  91   2.555 -11.129   2.318
  691   2HB   ALA  91          HB2       ALA  91   2.357 -11.714   3.971
  692   3HB   ALA  91          HB3       ALA  91   0.944 -11.260   3.021
  693    H    ALA  92           HN       ALA  92   2.719  -9.524   6.200
  694    HA   ALA  92           HA       ALA  92   0.213 -10.008   7.390
  695   1HB   ALA  92          HB1       ALA  92   2.570  -8.611   8.640
  696   2HB   ALA  92          HB2       ALA  92   1.261  -9.449   9.475
  697   3HB   ALA  92          HB3       ALA  92   2.406 -10.361   8.491
  698    H    VAL  93           HN       VAL  93   1.864  -7.012   6.544
  699    HA   VAL  93           HA       VAL  93  -0.200  -5.407   7.799
  700    HB   VAL  93           HB       VAL  93   2.503  -4.975   7.049
  701   1HG1  VAL  93          HG11      VAL  93   2.363  -2.786   5.954
  702   2HG1  VAL  93          HG12      VAL  93   1.736  -4.077   4.931
  703   3HG1  VAL  93          HG13      VAL  93   0.623  -2.998   5.770
  704   1HG2  VAL  93          HG21      VAL  93   0.470  -3.188   8.368
  705   2HG2  VAL  93          HG22      VAL  93   1.532  -4.348   9.167
  706   3HG2  VAL  93          HG23      VAL  93   2.214  -2.925   8.378
  707    H    ILE  94           HN       ILE  94   0.770  -6.367   4.556
  708    HA   ILE  94           HA       ILE  94  -0.939  -4.531   3.194
  709    HB   ILE  94           HB       ILE  94   0.129  -7.109   2.058
  710   1HG1  ILE  94          HG12      ILE  94   1.537  -4.433   2.116
  711   2HG1  ILE  94          HG13      ILE  94   1.906  -5.755   3.219
  712   1HG2  ILE  94          HG21      ILE  94   0.130  -5.802  -0.042
  713   2HG2  ILE  94          HG22      ILE  94  -1.482  -5.966   0.657
  714   3HG2  ILE  94          HG23      ILE  94  -0.596  -4.450   0.827
  715   1HD1  ILE  94          HD11      ILE  94   3.504  -5.774   1.458
  716   2HD1  ILE  94          HD12      ILE  94   2.437  -7.161   1.237
  717   3HD1  ILE  94          HD13      ILE  94   2.236  -5.724   0.234
  718    H    SER  95           HN       SER  95  -1.273  -7.916   4.183
  719    HA   SER  95           HA       SER  95  -3.619  -8.542   2.811
  720   1HB   SER  95          HB2       SER  95  -2.256 -10.216   3.999
  721   2HB   SER  95          HB3       SER  95  -2.754  -9.524   5.542
  722    HG   SER  95           HG       SER  95  -4.959 -10.003   4.211
  723    H    LYS  96           HN       LYS  96  -3.135  -6.333   5.290
  724    HA   LYS  96           HA       LYS  96  -5.810  -6.473   6.384
  725   1HB   LYS  96          HB2       LYS  96  -3.847  -4.303   7.016
  726   2HB   LYS  96          HB3       LYS  96  -5.048  -5.052   8.061
  727   1HG   LYS  96          HG2       LYS  96  -3.685  -7.146   7.967
  728   2HG   LYS  96          HG3       LYS  96  -2.451  -6.218   7.115
  729   1HD   LYS  96          HD2       LYS  96  -1.830  -6.260   9.402
  730   2HD   LYS  96          HD3       LYS  96  -2.434  -4.636   9.051
  731   1HE   LYS  96          HE2       LYS  96  -4.563  -5.167  10.061
  732   2HE   LYS  96          HE3       LYS  96  -4.062  -6.839  10.313
  733   1HZ   LYS  96          HZ1       LYS  96  -3.881  -5.498  12.332
  734   2HZ   LYS  96          HZ2       LYS  96  -2.779  -4.470  11.563
  735   3HZ   LYS  96          HZ3       LYS  96  -2.374  -6.090  11.841
  736    H    PHE  97           HN       PHE  97  -4.656  -5.307   3.611
  737    HA   PHE  97           HA       PHE  97  -5.322  -2.680   3.337
  738   1HB   PHE  97          HB2       PHE  97  -5.983  -3.370   0.906
  739   2HB   PHE  97          HB3       PHE  97  -4.322  -3.501   1.458
  740    HD1  PHE  97           HD1      PHE  97  -3.983  -4.987  -0.480
  741    HD2  PHE  97           HD2      PHE  97  -6.611  -6.037   2.700
  742    HE1  PHE  97           HE1      PHE  97  -3.912  -7.342  -1.206
  743    HE2  PHE  97           HE2      PHE  97  -6.539  -8.388   1.984
  744    HZ   PHE  97           HZ       PHE  97  -5.191  -9.043   0.032
  745    H    TRP  98           HN       TRP  98  -7.644  -5.168   4.000
  746    HA   TRP  98           HA       TRP  98  -9.705  -3.134   3.546
  747   1HB   TRP  98          HB2       TRP  98 -11.295  -4.930   2.763
  748   2HB   TRP  98          HB3       TRP  98 -10.036  -4.456   1.635
  749    HD1  TRP  98           HD1      TRP  98  -8.849  -6.376   0.496
  750    HE1  TRP  98           HE1      TRP  98  -8.531  -8.888   0.935
  751    HE3  TRP  98           HE3      TRP  98 -11.161  -6.720   5.052
  752    HZ2  TRP  98           HZ2      TRP  98  -9.173 -10.767   2.930
  753    HZ3  TRP  98           HZ3      TRP  98 -11.267  -8.917   6.150
  754    HH2  TRP  98           HH2      TRP  98 -10.295 -10.898   5.110
  755    H    LYS  99           HN       LYS  99  -8.321  -5.023   5.824
  756    HA   LYS  99           HA       LYS  99 -10.859  -5.439   7.244
  757   1HB   LYS  99          HB2       LYS  99  -9.678  -6.983   8.688
  758   2HB   LYS  99          HB3       LYS  99  -9.432  -7.426   7.009
  759   1HG   LYS  99          HG2       LYS  99  -7.318  -7.681   7.832
  760   2HG   LYS  99          HG3       LYS  99  -7.250  -6.015   7.258
  761   1HD   LYS  99          HD2       LYS  99  -6.239  -6.285   9.488
  762   2HD   LYS  99          HD3       LYS  99  -7.620  -5.189   9.509
  763   1HE   LYS  99          HE2       LYS  99  -9.033  -7.051  10.304
  764   2HE   LYS  99          HE3       LYS  99  -7.601  -8.079  10.371
  765   1HZ   LYS  99          HZ1       LYS  99  -8.038  -5.594  11.939
  766   2HZ   LYS  99          HZ2       LYS  99  -6.638  -6.541  11.985
  767   3HZ   LYS  99          HZ3       LYS  99  -8.105  -7.174  12.540
  768    H    SER 100           HN       SER 100  -8.151  -3.423   7.111
  769    HA   SER 100           HA       SER 100  -8.049  -2.682   9.875
  770   1HB   SER 100          HB2       SER 100  -6.082  -2.407   8.442
  771   2HB   SER 100          HB3       SER 100  -6.968  -1.275   7.420
  772    HG   SER 100           HG       SER 100  -5.594  -0.280   9.026
  773    H    HIS 101           HN       HIS 101 -10.101  -1.953   7.278
  774    HA   HIS 101           HA       HIS 101 -11.215   0.333   8.766
  775   1HB   HIS 101          HB2       HIS 101 -10.920  -0.008   5.780
  776   2HB   HIS 101          HB3       HIS 101 -11.969   1.201   6.510
  777    HD1  HIS 101           HD1      HIS 101 -10.861   3.261   7.546
  778    HD2  HIS 101           HD2      HIS 101  -8.154   0.492   6.043
  779    HE1  HIS 101           HE1      HIS 101  -8.638   4.435   7.534
  780    HE2  HIS 101           HE2      HIS 101  -7.034   2.773   6.525
  781    H    LYS 102           HN       LYS 102 -11.790  -2.723   8.351
  782    HA   LYS 102           HA       LYS 102 -14.665  -2.357   7.828
  783   1HB   LYS 102          HB2       LYS 102 -13.525  -3.733   6.109
  784   2HB   LYS 102          HB3       LYS 102 -13.041  -4.864   7.365
  785   1HG   LYS 102          HG2       LYS 102 -15.382  -5.363   7.832
  786   2HG   LYS 102          HG3       LYS 102 -15.879  -4.212   6.591
  787   1HD   LYS 102          HD2       LYS 102 -15.973  -6.451   5.693
  788   2HD   LYS 102          HD3       LYS 102 -14.668  -5.560   4.908
  789   1HE   LYS 102          HE2       LYS 102 -13.033  -6.651   6.329
  790   2HE   LYS 102          HE3       LYS 102 -14.316  -7.480   7.210
  791   1HZ   LYS 102          HZ1       LYS 102 -14.908  -8.651   5.188
  792   2HZ   LYS 102          HZ2       LYS 102 -13.281  -8.918   5.561
  793   3HZ   LYS 102          HZ3       LYS 102 -13.698  -7.840   4.326
  794    H    THR 103           HN       THR 103 -13.433  -5.389   8.970
  795    HA   THR 103           HA       THR 103 -14.126  -6.617  10.782
  796    HB   THR 103           HB       THR 103 -13.273  -5.631  12.955
  797    HG1  THR 103           HG1      THR 103 -12.339  -3.577  11.209
  798   1HG2  THR 103          HG21      THR 103 -11.380  -5.707  10.602
  799   2HG2  THR 103          HG22      THR 103 -11.897  -7.093  11.562
  800   3HG2  THR 103          HG23      THR 103 -10.916  -5.828  12.300
  801    H    LYS 104           HN       LYS 104 -14.525  -3.802  12.772
  802    HA   LYS 104           HA       LYS 104 -17.444  -4.183  12.725
  803   1HB   LYS 104          HB2       LYS 104 -15.643  -3.658  15.095
  804   2HB   LYS 104          HB3       LYS 104 -17.394  -3.513  15.156
  805   1HG   LYS 104          HG2       LYS 104 -17.004  -5.627  16.007
  806   2HG   LYS 104          HG3       LYS 104 -17.414  -5.947  14.322
  807   1HD   LYS 104          HD2       LYS 104 -15.003  -6.054  13.792
  808   2HD   LYS 104          HD3       LYS 104 -14.639  -5.826  15.503
  809   1HE   LYS 104          HE2       LYS 104 -16.152  -8.126  14.272
  810   2HE   LYS 104          HE3       LYS 104 -14.518  -8.176  14.930
  811   1HZ   LYS 104          HZ1       LYS 104 -15.403  -7.684  17.111
  812   2HZ   LYS 104          HZ2       LYS 104 -16.159  -9.059  16.482
  813   3HZ   LYS 104          HZ3       LYS 104 -16.974  -7.577  16.491
  814    H    ILE 105           HN       ILE 105 -14.927  -2.133  12.125
  815    HA   ILE 105           HA       ILE 105 -15.747   0.359  13.070
  816    HB   ILE 105           HB       ILE 105 -14.350  -0.150  10.446
  817   1HG1  ILE 105          HG12      ILE 105 -13.123   0.220  13.183
  818   2HG1  ILE 105          HG13      ILE 105 -13.316  -1.347  12.400
  819   1HG2  ILE 105          HG21      ILE 105 -13.432   2.046  10.742
  820   2HG2  ILE 105          HG22      ILE 105 -15.186   2.155  10.904
  821   3HG2  ILE 105          HG23      ILE 105 -14.164   2.182  12.342
  822   1HD1  ILE 105          HD11      ILE 105 -11.063  -0.547  12.122
  823   2HD1  ILE 105          HD12      ILE 105 -11.883  -0.565  10.561
  824   3HD1  ILE 105          HD13      ILE 105 -11.654   0.958  11.418
  825    H    ARG 106           HN       ARG 106 -16.266  -1.026   9.822
  826    HA   ARG 106           HA       ARG 106 -17.964   0.999   8.894
  827   1HB   ARG 106          HB2       ARG 106 -16.846  -0.638   7.426
  828   2HB   ARG 106          HB3       ARG 106 -17.881  -1.908   8.062
  829   1HG   ARG 106          HG2       ARG 106 -18.696  -1.197   5.917
  830   2HG   ARG 106          HG3       ARG 106 -19.845  -0.720   7.168
  831   1HD   ARG 106          HD2       ARG 106 -19.507   1.062   5.524
  832   2HD   ARG 106          HD3       ARG 106 -18.972   1.550   7.131
  833    HE   ARG 106           HE       ARG 106 -16.850   0.472   5.542
  834   1HH1  ARG 106          HH12      ARG 106 -18.721   3.338   6.191
  835   2HH1  ARG 106          HH11      ARG 106 -17.483   4.425   5.656
  836   1HH2  ARG 106          HH22      ARG 106 -15.211   1.897   4.837
  837   2HH2  ARG 106          HH21      ARG 106 -15.487   3.606   4.888
  838    H    GLU 107           HN       GLU 107 -18.735  -2.173  10.300
  839    HA   GLU 107           HA       GLU 107 -20.598  -2.997  11.301
  840   1HB   GLU 107          HB2       GLU 107 -20.304  -1.089  12.810
  841   2HB   GLU 107          HB3       GLU 107 -21.241  -0.073  11.722
  842   1HG   GLU 107          HG2       GLU 107 -23.204  -1.481  12.104
  843   2HG   GLU 107          HG3       GLU 107 -22.263  -2.484  13.207
  844    H    SER 108           HN       SER 108 -22.251  -0.083  10.205
  845    HA   SER 108           HA       SER 108 -24.178  -1.709   8.782
  846   1HB   SER 108          HB2       SER 108 -24.973   0.150  10.165
  847   2HB   SER 108          HB3       SER 108 -24.037   1.288   9.197
  848    HG   SER 108           HG       SER 108 -26.178   1.256   8.491
  Start of MODEL   10
    1   1H    MET   1          H1        MET   1  15.890  -8.285   1.332
    2   2H    MET   1          H2        MET   1  15.960  -7.545   2.850
    3   3H    MET   1          H3        MET   1  14.465  -7.976   2.189
    4    HA   MET   1           HA       MET   1  15.047 -10.308   2.300
    5   1HB   MET   1          HB2       MET   1  17.508  -9.908   2.097
    6   2HB   MET   1          HB3       MET   1  17.513  -9.341   3.761
    7   1HG   MET   1          HG2       MET   1  16.671 -11.559   4.470
    8   2HG   MET   1          HG3       MET   1  16.822 -12.107   2.801
    9   1HE   MET   1          HE1       MET   1  19.131 -12.214   1.496
   10   2HE   MET   1          HE2       MET   1  19.527 -10.550   1.929
   11   3HE   MET   1          HE3       MET   1  20.693 -11.840   2.224
   12    H    ALA   2           HN       ALA   2  15.392  -7.651   4.545
   13    HA   ALA   2           HA       ALA   2  13.489  -8.921   6.335
   14   1HB   ALA   2          HB1       ALA   2  15.667  -9.710   7.157
   15   2HB   ALA   2          HB2       ALA   2  16.188  -8.035   7.352
   16   3HB   ALA   2          HB3       ALA   2  14.856  -8.664   8.323
   17    H    ALA   3           HN       ALA   3  12.020  -7.451   6.809
   18    HA   ALA   3           HA       ALA   3  10.974  -5.487   7.245
   19   1HB   ALA   3          HB1       ALA   3  12.450  -5.319   9.136
   20   2HB   ALA   3          HB2       ALA   3  13.731  -4.648   8.127
   21   3HB   ALA   3          HB3       ALA   3  12.257  -3.722   8.412
   22    H    GLY   4           HN       GLY   4  14.010  -3.890   6.380
   23   1HA   GLY   4          HA1       GLY   4  14.413  -3.194   4.049
   24   2HA   GLY   4          HA2       GLY   4  12.683  -2.913   3.926
   25    H    GLU   5           HN       GLU   5  14.089  -0.867   3.138
   26    HA   GLU   5           HA       GLU   5  14.650   0.934   5.352
   27   1HB   GLU   5          HB2       GLU   5  14.906   1.250   2.358
   28   2HB   GLU   5          HB3       GLU   5  15.276   2.530   3.505
   29   1HG   GLU   5          HG2       GLU   5  17.311   1.467   2.847
   30   2HG   GLU   5          HG3       GLU   5  16.982   1.063   4.531
   31    H    LEU   6           HN       LEU   6  12.107   0.404   5.641
   32    HA   LEU   6           HA       LEU   6  10.805   2.893   5.295
   33   1HB   LEU   6          HB2       LEU   6   8.876   1.888   3.926
   34   2HB   LEU   6          HB3       LEU   6  10.329   2.390   3.082
   35    HG   LEU   6           HG       LEU   6  11.066  -0.048   3.200
   36   1HD1  LEU   6          HD11      LEU   6   9.275  -1.699   3.423
   37   2HD1  LEU   6          HD12      LEU   6   9.521  -0.798   4.918
   38   3HD1  LEU   6          HD13      LEU   6   8.151  -0.417   3.874
   39   1HD2  LEU   6          HD21      LEU   6   8.625   0.696   1.594
   40   2HD2  LEU   6          HD22      LEU   6  10.306   0.994   1.146
   41   3HD2  LEU   6          HD23      LEU   6   9.701  -0.659   1.253
   42    H    GLU   7           HN       GLU   7  11.423   0.932   7.336
   43    HA   GLU   7           HA       GLU   7  10.513   0.187   9.276
   44   1HB   GLU   7          HB2       GLU   7   7.914   1.326   8.240
   45   2HB   GLU   7          HB3       GLU   7   8.242   0.832   9.895
   46   1HG   GLU   7          HG2       GLU   7   9.679   3.038   8.439
   47   2HG   GLU   7          HG3       GLU   7   8.337   3.272   9.556
   48    H    GLY   8           HN       GLY   8   7.732  -0.264   7.076
   49   1HA   GLY   8          HA1       GLY   8   6.895  -2.216   6.156
   50   2HA   GLY   8          HA2       GLY   8   8.273  -3.081   6.814
   51    H    GLY   9           HN       GLY   9   7.339  -1.632   9.472
   52   1HA   GLY   9          HA1       GLY   9   5.822  -3.932  10.365
   53   2HA   GLY   9          HA2       GLY   9   6.418  -2.622  11.370
   54    H    LYS  10           HN       LYS  10   5.282  -0.419  10.720
   55    HA   LYS  10           HA       LYS  10   2.401  -0.987  10.721
   56   1HB   LYS  10          HB2       LYS  10   3.085  -0.035  12.807
   57   2HB   LYS  10          HB3       LYS  10   3.967   1.250  11.996
   58   1HG   LYS  10          HG2       LYS  10   1.935   2.141  12.882
   59   2HG   LYS  10          HG3       LYS  10   1.819   2.115  11.122
   60   1HD   LYS  10          HD2       LYS  10  -0.268   1.346  11.946
   61   2HD   LYS  10          HD3       LYS  10   0.589  -0.078  11.354
   62   1HE   LYS  10          HE2       LYS  10   0.789   0.719  14.232
   63   2HE   LYS  10          HE3       LYS  10  -0.621  -0.165  13.653
   64   1HZ   LYS  10          HZ1       LYS  10   1.011  -1.692  14.493
   65   2HZ   LYS  10          HZ2       LYS  10   2.206  -1.057  13.480
   66   3HZ   LYS  10          HZ3       LYS  10   0.892  -1.890  12.817
   67    HA   PRO  11           HA       PRO  11   2.944   3.246   8.112
   68   1HB   PRO  11          HB2       PRO  11   5.688   2.484   7.191
   69   2HB   PRO  11          HB3       PRO  11   4.966   4.089   7.371
   70   1HG   PRO  11          HG2       PRO  11   6.655   3.129   9.195
   71   2HG   PRO  11          HG3       PRO  11   5.253   4.104   9.665
   72   1HD   PRO  11          HD2       PRO  11   5.719   1.200   9.985
   73   2HD   PRO  11          HD3       PRO  11   4.705   2.295  10.932
   74    H    LEU  12           HN       LEU  12   4.595   0.233   7.146
   75    HA   LEU  12           HA       LEU  12   4.098   0.297   4.433
   76   1HB   LEU  12          HB2       LEU  12   5.464  -1.386   5.730
   77   2HB   LEU  12          HB3       LEU  12   3.962  -2.217   6.081
   78    HG   LEU  12           HG       LEU  12   3.613  -2.368   3.566
   79   1HD1  LEU  12          HD11      LEU  12   5.245  -0.631   2.962
   80   2HD1  LEU  12          HD12      LEU  12   6.544  -1.681   3.528
   81   3HD1  LEU  12          HD13      LEU  12   5.554  -2.167   2.150
   82   1HD2  LEU  12          HD21      LEU  12   4.285  -4.278   4.925
   83   2HD2  LEU  12          HD22      LEU  12   5.078  -4.311   3.349
   84   3HD2  LEU  12          HD23      LEU  12   5.976  -3.797   4.778
   85    H    SER  13           HN       SER  13   1.827  -0.075   6.966
   86    HA   SER  13           HA       SER  13  -0.193  -1.403   5.413
   87   1HB   SER  13          HB2       SER  13  -0.154  -1.666   7.840
   88   2HB   SER  13          HB3       SER  13  -0.384   0.070   8.052
   89    HG   SER  13           HG       SER  13  -2.331  -1.226   8.219
   90    H    GLY  14           HN       GLY  14   0.231   1.918   6.645
   91   1HA   GLY  14          HA1       GLY  14  -2.001   2.898   5.095
   92   2HA   GLY  14          HA2       GLY  14  -0.900   3.864   6.071
   93    H    LEU  15           HN       LEU  15   0.369   1.655   3.752
   94    HA   LEU  15           HA       LEU  15   1.766   3.710   2.355
   95   1HB   LEU  15          HB2       LEU  15   1.964   0.950   2.691
   96   2HB   LEU  15          HB3       LEU  15   1.663   1.168   0.981
   97    HG   LEU  15           HG       LEU  15   4.067   1.042   1.532
   98   1HD1  LEU  15          HD11      LEU  15   4.740   2.828   0.129
   99   2HD1  LEU  15          HD12      LEU  15   3.152   2.307  -0.423
  100   3HD1  LEU  15          HD13      LEU  15   3.311   3.777   0.537
  101   1HD2  LEU  15          HD21      LEU  15   5.166   2.816   2.722
  102   2HD2  LEU  15          HD22      LEU  15   3.646   3.688   2.916
  103   3HD2  LEU  15          HD23      LEU  15   3.896   2.155   3.749
  104    H    LEU  16           HN       LEU  16  -0.702   1.358   1.318
  105    HA   LEU  16           HA       LEU  16  -1.076   2.303  -1.262
  106   1HB   LEU  16          HB2       LEU  16  -3.233   1.166   0.525
  107   2HB   LEU  16          HB3       LEU  16  -3.245   1.203  -1.227
  108    HG   LEU  16           HG       LEU  16  -2.696  -0.987  -0.806
  109   1HD1  LEU  16          HD11      LEU  16  -1.023   0.022  -2.286
  110   2HD1  LEU  16          HD12      LEU  16   0.012   0.328  -0.891
  111   3HD1  LEU  16          HD13      LEU  16  -0.367  -1.328  -1.360
  112   1HD2  LEU  16          HD21      LEU  16  -2.345  -0.397   1.712
  113   2HD2  LEU  16          HD22      LEU  16  -1.631  -1.857   1.027
  114   3HD2  LEU  16          HD23      LEU  16  -0.638  -0.423   1.271
  115    H    ASN  17           HN       ASN  17  -1.914   3.682   1.731
  116    HA   ASN  17           HA       ASN  17  -3.993   5.427   0.791
  117   1HB   ASN  17          HB2       ASN  17  -2.404   5.167   3.331
  118   2HB   ASN  17          HB3       ASN  17  -3.459   6.557   3.067
  119   1HD2  ASN  17          HD21      ASN  17  -4.137   3.350   1.853
  120   2HD2  ASN  17          HD22      ASN  17  -5.489   3.037   2.881
  121    H    ALA  18           HN       ALA  18  -0.697   6.019   2.019
  122    HA   ALA  18           HA       ALA  18  -0.457   8.702   1.330
  123   1HB   ALA  18          HB1       ALA  18   1.138   7.627   2.763
  124   2HB   ALA  18          HB2       ALA  18   1.658   6.557   1.462
  125   3HB   ALA  18          HB3       ALA  18   1.985   8.286   1.367
  126    H    LEU  19           HN       LEU  19   0.435   5.824  -0.530
  127    HA   LEU  19           HA       LEU  19   1.615   6.945  -2.735
  128   1HB   LEU  19          HB2       LEU  19  -0.176   4.527  -2.595
  129   2HB   LEU  19          HB3       LEU  19   0.840   4.928  -3.965
  130    HG   LEU  19           HG       LEU  19   1.918   4.425  -1.194
  131   1HD1  LEU  19          HD11      LEU  19   2.597   2.220  -2.070
  132   2HD1  LEU  19          HD12      LEU  19   0.847   2.404  -1.955
  133   3HD1  LEU  19          HD13      LEU  19   1.646   2.531  -3.523
  134   1HD2  LEU  19          HD21      LEU  19   3.247   4.540  -3.899
  135   2HD2  LEU  19          HD22      LEU  19   3.362   5.761  -2.632
  136   3HD2  LEU  19          HD23      LEU  19   4.042   4.155  -2.373
  137    H    ALA  20           HN       ALA  20  -1.584   7.480  -1.795
  138    HA   ALA  20           HA       ALA  20  -3.020   7.554  -4.157
  139   1HB   ALA  20          HB1       ALA  20  -4.456   9.200  -3.093
  140   2HB   ALA  20          HB2       ALA  20  -4.004   7.940  -1.944
  141   3HB   ALA  20          HB3       ALA  20  -3.219   9.519  -1.878
  142    H    GLN  21           HN       GLN  21  -1.798   8.234  -5.904
  143    HA   GLN  21           HA       GLN  21  -0.963  11.058  -5.909
  144   1HB   GLN  21          HB2       GLN  21   0.016   8.698  -7.519
  145   2HB   GLN  21          HB3       GLN  21   0.442  10.359  -7.900
  146   1HG   GLN  21          HG2       GLN  21   1.451  10.582  -5.662
  147   2HG   GLN  21          HG3       GLN  21   1.085   8.886  -5.355
  148   1HE2  GLN  21          HE21      GLN  21   3.652  10.349  -5.508
  149   2HE2  GLN  21          HE22      GLN  21   4.598   9.495  -6.675
  150    H    ASP  22           HN       ASP  22  -2.168  12.415  -7.046
  151    HA   ASP  22           HA       ASP  22  -3.727  13.239  -8.487
  152   1HB   ASP  22          HB2       ASP  22  -2.597  11.102 -10.308
  153   2HB   ASP  22          HB3       ASP  22  -3.527  12.507 -10.821
  154    H    THR  23           HN       THR  23  -4.575  11.107  -6.698
  155    HA   THR  23           HA       THR  23  -6.285   9.297  -8.055
  156    HB   THR  23           HB       THR  23  -5.488   8.853  -5.778
  157    HG1  THR  23           HG1      THR  23  -8.228   9.055  -5.356
  158   1HG2  THR  23          HG21      THR  23  -7.353  11.079  -4.958
  159   2HG2  THR  23          HG22      THR  23  -5.592  11.172  -4.951
  160   3HG2  THR  23          HG23      THR  23  -6.420  10.044  -3.876
  161    H    PHE  24           HN       PHE  24  -6.531  12.605  -7.434
  162    HA   PHE  24           HA       PHE  24  -8.146  14.145  -7.859
  163   1HB   PHE  24          HB2       PHE  24  -8.654  12.649  -9.828
  164   2HB   PHE  24          HB3       PHE  24  -9.889  11.877  -8.839
  165    HD1  PHE  24           HD1      PHE  24 -11.959  12.969  -8.361
  166    HD2  PHE  24           HD2      PHE  24  -8.919  14.966 -10.571
  167    HE1  PHE  24           HE1      PHE  24 -13.580  14.694  -9.026
  168    HE2  PHE  24           HE2      PHE  24 -10.537  16.696 -11.241
  169    HZ   PHE  24           HZ       PHE  24 -12.857  16.568 -10.481
  170    H    HIS  25           HN       HIS  25 -10.204  11.351  -7.048
  171    HA   HIS  25           HA       HIS  25 -11.695  12.860  -5.144
  172   1HB   HIS  25          HB2       HIS  25 -11.617   9.862  -5.559
  173   2HB   HIS  25          HB3       HIS  25 -12.852  10.754  -4.679
  174    HD1  HIS  25           HD1      HIS  25 -14.454  12.276  -6.133
  175    HD2  HIS  25           HD2      HIS  25 -11.955   9.751  -8.290
  176    HE1  HIS  25           HE1      HIS  25 -15.400  12.224  -8.463
  177    HE2  HIS  25           HE2      HIS  25 -13.865  10.700  -9.755
  178    H    GLY  26           HN       GLY  26 -10.572  13.579  -3.411
  179   1HA   GLY  26          HA1       GLY  26 -10.007  11.886  -1.266
  180   2HA   GLY  26          HA2       GLY  26  -8.496  12.157  -2.122
  181    H    TYR  27           HN       TYR  27  -7.668  13.214  -0.254
  182    HA   TYR  27           HA       TYR  27  -8.933  15.706   0.556
  183   1HB   TYR  27          HB2       TYR  27  -6.528  14.195   1.581
  184   2HB   TYR  27          HB3       TYR  27  -6.990  15.780   2.192
  185    HD1  TYR  27           HD1      TYR  27  -8.839  16.034   3.695
  186    HD2  TYR  27           HD2      TYR  27  -7.998  12.243   1.955
  187    HE1  TYR  27           HE1      TYR  27 -10.391  14.969   5.277
  188    HE2  TYR  27           HE2      TYR  27  -9.548  11.169   3.532
  189    HH   TYR  27           HH       TYR  27 -10.548  11.586   5.705
  190    HA   PRO  28           HA       PRO  28  -6.290  18.201  -1.982
  191   1HB   PRO  28          HB2       PRO  28  -6.528  20.583  -0.769
  192   2HB   PRO  28          HB3       PRO  28  -7.885  19.833  -1.619
  193   1HG   PRO  28          HG2       PRO  28  -7.306  19.929   1.315
  194   2HG   PRO  28          HG3       PRO  28  -8.850  20.141   0.471
  195   1HD   PRO  28          HD2       PRO  28  -8.067  17.803   1.681
  196   2HD   PRO  28          HD3       PRO  28  -9.219  17.887   0.334
  197    H    GLY  29           HN       GLY  29  -5.319  17.006   0.856
  198   1HA   GLY  29          HA1       GLY  29  -2.973  18.757   1.139
  199   2HA   GLY  29          HA2       GLY  29  -3.534  17.604   2.338
  200    H    ILE  30           HN       ILE  30  -3.890  15.442   0.424
  201    HA   ILE  30           HA       ILE  30  -1.339  14.278   0.578
  202    HB   ILE  30           HB       ILE  30  -3.449  12.987   0.444
  203   1HG1  ILE  30          HG12      ILE  30  -2.589  11.242  -1.163
  204   2HG1  ILE  30          HG13      ILE  30  -1.328  12.381  -1.623
  205   1HG2  ILE  30          HG21      ILE  30  -3.420  13.881  -2.431
  206   2HG2  ILE  30          HG22      ILE  30  -4.420  12.567  -1.809
  207   3HG2  ILE  30          HG23      ILE  30  -4.653  14.211  -1.215
  208   1HD1  ILE  30          HD11      ILE  30  -0.347  12.302   0.517
  209   2HD1  ILE  30          HD12      ILE  30  -1.744  11.480   1.208
  210   3HD1  ILE  30          HD13      ILE  30  -0.696  10.631   0.074
  211    H    THR  31           HN       THR  31   0.279  13.971  -0.902
  212    HA   THR  31           HA       THR  31   0.001  15.016  -3.604
  213    HB   THR  31           HB       THR  31   2.175  16.060  -1.778
  214    HG1  THR  31           HG1      THR  31   0.278  17.083  -1.206
  215   1HG2  THR  31          HG21      THR  31   2.890  15.936  -4.091
  216   2HG2  THR  31          HG22      THR  31   2.609  17.620  -3.650
  217   3HG2  THR  31          HG23      THR  31   1.418  16.751  -4.619
  218    H    GLU  32           HN       GLU  32   1.781  14.387  -4.998
  219    HA   GLU  32           HA       GLU  32   2.573  11.750  -4.699
  220   1HB   GLU  32          HB2       GLU  32   3.843  13.938  -6.350
  221   2HB   GLU  32          HB3       GLU  32   4.206  12.226  -6.523
  222   1HG   GLU  32          HG2       GLU  32   2.046  11.744  -7.317
  223   2HG   GLU  32          HG3       GLU  32   1.427  13.314  -6.812
  224    H    GLU  33           HN       GLU  33   4.504  14.689  -4.109
  225    HA   GLU  33           HA       GLU  33   6.737  13.169  -3.128
  226   1HB   GLU  33          HB2       GLU  33   6.149  16.132  -2.974
  227   2HB   GLU  33          HB3       GLU  33   7.677  15.384  -2.532
  228   1HG   GLU  33          HG2       GLU  33   7.915  14.584  -4.855
  229   2HG   GLU  33          HG3       GLU  33   6.433  15.444  -5.270
  230    H    LEU  34           HN       LEU  34   3.788  14.088  -1.848
  231    HA   LEU  34           HA       LEU  34   4.676  14.456   0.877
  232   1HB   LEU  34          HB2       LEU  34   2.726  15.669  -0.106
  233   2HB   LEU  34          HB3       LEU  34   1.873  14.141  -0.200
  234    HG   LEU  34           HG       LEU  34   1.348  15.739   1.751
  235   1HD1  LEU  34          HD11      LEU  34   0.578  13.395   1.523
  236   2HD1  LEU  34          HD12      LEU  34   2.009  12.880   2.414
  237   3HD1  LEU  34          HD13      LEU  34   0.810  13.910   3.194
  238   1HD2  LEU  34          HD21      LEU  34   3.689  16.161   2.383
  239   2HD2  LEU  34          HD22      LEU  34   2.734  15.516   3.718
  240   3HD2  LEU  34          HD23      LEU  34   3.853  14.468   2.844
  241    H    LEU  35           HN       LEU  35   3.205  11.912  -1.065
  242    HA   LEU  35           HA       LEU  35   2.267  10.205   0.861
  243   1HB   LEU  35          HB2       LEU  35   2.514   8.412  -0.685
  244   2HB   LEU  35          HB3       LEU  35   2.062   9.850  -1.575
  245    HG   LEU  35           HG       LEU  35   4.694  10.013  -1.921
  246   1HD1  LEU  35          HD11      LEU  35   5.605   7.743  -2.287
  247   2HD1  LEU  35          HD12      LEU  35   5.272   8.089  -0.590
  248   3HD1  LEU  35          HD13      LEU  35   4.168   7.073  -1.515
  249   1HD2  LEU  35          HD21      LEU  35   2.823   8.211  -3.453
  250   2HD2  LEU  35          HD22      LEU  35   3.053   9.943  -3.699
  251   3HD2  LEU  35          HD23      LEU  35   4.366   8.819  -4.052
  252    H    ARG  36           HN       ARG  36   5.624  10.688  -0.105
  253    HA   ARG  36           HA       ARG  36   6.611   8.549   1.516
  254   1HB   ARG  36          HB2       ARG  36   7.764  10.705  -0.164
  255   2HB   ARG  36          HB3       ARG  36   8.782  10.043   1.099
  256   1HG   ARG  36          HG2       ARG  36   8.837   7.938   0.144
  257   2HG   ARG  36          HG3       ARG  36   7.372   8.230  -0.801
  258   1HD   ARG  36          HD2       ARG  36  10.031   9.580  -1.236
  259   2HD   ARG  36          HD3       ARG  36   9.390   8.251  -2.201
  260    HE   ARG  36           HE       ARG  36   8.580  11.024  -2.293
  261   1HH1  ARG  36          HH12      ARG  36   7.758   7.736  -3.093
  262   2HH1  ARG  36          HH11      ARG  36   6.694   8.180  -4.385
  263   1HH2  ARG  36          HH22      ARG  36   7.189  11.617  -3.999
  264   2HH2  ARG  36          HH21      ARG  36   6.373  10.384  -4.901
  265    H    SER  37           HN       SER  37   6.450  12.069   1.770
  266    HA   SER  37           HA       SER  37   7.799  12.305   4.218
  267   1HB   SER  37          HB2       SER  37   5.653  14.093   3.044
  268   2HB   SER  37          HB3       SER  37   6.744  14.532   4.359
  269    HG   SER  37           HG       SER  37   7.455  13.900   1.685
  270    H    GLN  38           HN       GLN  38   4.698  11.156   3.398
  271    HA   GLN  38           HA       GLN  38   3.432  11.667   5.934
  272   1HB   GLN  38          HB2       GLN  38   2.564  11.075   3.366
  273   2HB   GLN  38          HB3       GLN  38   2.215   9.601   4.269
  274   1HG   GLN  38          HG2       GLN  38   1.013  10.991   5.939
  275   2HG   GLN  38          HG3       GLN  38   1.274  12.389   4.896
  276   1HE2  GLN  38          HE21      GLN  38   0.650   9.188   3.663
  277   2HE2  GLN  38          HE22      GLN  38  -0.928   9.519   3.042
  278    H    LEU  39           HN       LEU  39   4.345   8.717   4.175
  279    HA   LEU  39           HA       LEU  39   4.158   7.210   6.668
  280   1HB   LEU  39          HB2       LEU  39   4.158   6.468   3.767
  281   2HB   LEU  39          HB3       LEU  39   4.441   5.259   5.003
  282    HG   LEU  39           HG       LEU  39   2.044   5.593   4.067
  283   1HD1  LEU  39          HD11      LEU  39   2.877   4.276   6.118
  284   2HD1  LEU  39          HD12      LEU  39   2.223   5.618   7.054
  285   3HD1  LEU  39          HD13      LEU  39   1.161   4.672   6.011
  286   1HD2  LEU  39          HD21      LEU  39   0.676   7.179   5.309
  287   2HD2  LEU  39          HD22      LEU  39   2.123   7.823   6.086
  288   3HD2  LEU  39          HD23      LEU  39   1.903   7.997   4.345
  289    H    TYR  40           HN       TYR  40   6.343   6.852   3.847
  290    HA   TYR  40           HA       TYR  40   8.505   6.401   5.784
  291   1HB   TYR  40          HB2       TYR  40   9.681   5.394   3.690
  292   2HB   TYR  40          HB3       TYR  40   8.470   4.462   4.542
  293    HD1  TYR  40           HD1      TYR  40   7.946   2.997   2.730
  294    HD2  TYR  40           HD2      TYR  40   7.627   7.210   2.219
  295    HE1  TYR  40           HE1      TYR  40   6.771   2.647   0.607
  296    HE2  TYR  40           HE2      TYR  40   6.445   6.863   0.099
  297    HH   TYR  40           HH       TYR  40   5.354   3.745  -0.923
  298    HA   PRO  41           HA       PRO  41   9.602  10.506   3.985
  299   1HB   PRO  41          HB2       PRO  41  10.916  11.359   6.221
  300   2HB   PRO  41          HB3       PRO  41   9.178  11.563   5.975
  301   1HG   PRO  41          HG2       PRO  41  10.636   9.478   7.552
  302   2HG   PRO  41          HG3       PRO  41   9.164  10.375   7.972
  303   1HD   PRO  41          HD2       PRO  41   9.080   7.844   7.051
  304   2HD   PRO  41          HD3       PRO  41   7.818   9.031   6.657
  305    H    GLU  42           HN       GLU  42  11.395   7.949   5.509
  306    HA   GLU  42           HA       GLU  42  14.002   8.913   4.965
  307   1HB   GLU  42          HB2       GLU  42  14.748   6.637   5.420
  308   2HB   GLU  42          HB3       GLU  42  13.566   7.147   6.616
  309   1HG   GLU  42          HG2       GLU  42  11.834   5.880   5.439
  310   2HG   GLU  42          HG3       GLU  42  13.031   5.359   4.254
  311    H    VAL  43           HN       VAL  43  11.709   6.949   3.153
  312    HA   VAL  43           HA       VAL  43  13.527   6.345   1.035
  313    HB   VAL  43           HB       VAL  43  10.718   5.774   1.644
  314   1HG1  VAL  43          HG11      VAL  43  11.523   6.098  -1.247
  315   2HG1  VAL  43          HG12      VAL  43  10.046   5.321  -0.674
  316   3HG1  VAL  43          HG13      VAL  43  10.305   7.042  -0.390
  317   1HG2  VAL  43          HG21      VAL  43  12.847   4.328   0.073
  318   2HG2  VAL  43          HG22      VAL  43  12.466   4.104   1.784
  319   3HG2  VAL  43          HG23      VAL  43  11.288   3.651   0.550
  320    HA   PRO  44           HA       PRO  44  13.145  10.398  -0.852
  321   1HB   PRO  44          HB2       PRO  44  14.725   9.895  -3.005
  322   2HB   PRO  44          HB3       PRO  44  15.374  10.250  -1.398
  323   1HG   PRO  44          HG2       PRO  44  15.015   7.616  -2.765
  324   2HG   PRO  44          HG3       PRO  44  16.371   8.190  -1.779
  325   1HD   PRO  44          HD2       PRO  44  14.457   6.523  -0.822
  326   2HD   PRO  44          HD3       PRO  44  15.301   7.706   0.197
  327    HA   PRO  45           HA       PRO  45  10.030   9.676  -3.950
  328   1HB   PRO  45          HB2       PRO  45  10.675  12.341  -5.027
  329   2HB   PRO  45          HB3       PRO  45   9.193  11.775  -4.251
  330   1HG   PRO  45          HG2       PRO  45  10.812  13.488  -2.993
  331   2HG   PRO  45          HG3       PRO  45  10.006  12.175  -2.095
  332   1HD   PRO  45          HD2       PRO  45  12.816  12.263  -3.182
  333   2HD   PRO  45          HD3       PRO  45  12.262  11.824  -1.548
  334    H    GLU  46           HN       GLU  46  12.453   8.507  -4.594
  335    HA   GLU  46           HA       GLU  46  12.356   8.579  -7.472
  336   1HB   GLU  46          HB2       GLU  46  14.010  10.351  -6.917
  337   2HB   GLU  46          HB3       GLU  46  14.963   9.157  -6.048
  338   1HG   GLU  46          HG2       GLU  46  15.947   9.470  -8.189
  339   2HG   GLU  46          HG3       GLU  46  15.183   7.881  -8.171
  340    H    GLU  47           HN       GLU  47  13.749   7.297  -4.503
  341    HA   GLU  47           HA       GLU  47  14.384   4.765  -5.839
  342   1HB   GLU  47          HB2       GLU  47  15.102   5.893  -3.140
  343   2HB   GLU  47          HB3       GLU  47  15.414   4.219  -3.572
  344   1HG   GLU  47          HG2       GLU  47  16.827   4.957  -5.421
  345   2HG   GLU  47          HG3       GLU  47  16.499   6.638  -5.003
  346    H    PHE  48           HN       PHE  48  11.658   5.925  -4.806
  347    HA   PHE  48           HA       PHE  48  10.843   3.952  -2.878
  348   1HB   PHE  48          HB2       PHE  48   8.640   4.965  -3.044
  349   2HB   PHE  48          HB3       PHE  48   9.869   6.217  -2.898
  350    HD1  PHE  48           HD1      PHE  48  10.569   7.475  -4.948
  351    HD2  PHE  48           HD2      PHE  48   7.190   4.891  -4.895
  352    HE1  PHE  48           HE1      PHE  48   9.712   8.563  -6.980
  353    HE2  PHE  48           HE2      PHE  48   6.325   5.975  -6.928
  354    HZ   PHE  48           HZ       PHE  48   7.575   7.805  -7.973
  355    H    ARG  49           HN       ARG  49  10.842   4.236  -6.325
  356    HA   ARG  49           HA       ARG  49   8.786   2.415  -6.942
  357   1HB   ARG  49          HB2       ARG  49  11.241   3.152  -8.522
  358   2HB   ARG  49          HB3       ARG  49   9.864   2.271  -9.163
  359   1HG   ARG  49          HG2       ARG  49   9.530   4.966  -7.909
  360   2HG   ARG  49          HG3       ARG  49  10.012   4.794  -9.599
  361   1HD   ARG  49          HD2       ARG  49   7.525   3.623  -8.349
  362   2HD   ARG  49          HD3       ARG  49   7.580   5.079  -9.342
  363    HE   ARG  49           HE       ARG  49   8.715   2.900 -10.739
  364   1HH1  ARG  49          HH12      ARG  49   5.648   4.173  -9.684
  365   2HH1  ARG  49          HH11      ARG  49   4.752   3.426 -10.964
  366   1HH2  ARG  49          HH22      ARG  49   7.542   1.915 -12.429
  367   2HH2  ARG  49          HH21      ARG  49   5.829   2.142 -12.525
  368    HA   PRO  50           HA       PRO  50  12.432  -0.889  -7.381
  369   1HB   PRO  50          HB2       PRO  50  14.243  -0.482  -5.283
  370   2HB   PRO  50          HB3       PRO  50  14.556  -0.192  -6.995
  371   1HG   PRO  50          HG2       PRO  50  13.796   1.729  -4.854
  372   2HG   PRO  50          HG3       PRO  50  14.871   1.962  -6.244
  373   1HD   PRO  50          HD2       PRO  50  12.397   2.985  -6.208
  374   2HD   PRO  50          HD3       PRO  50  13.105   2.337  -7.703
  375    H    PHE  51           HN       PHE  51  11.189   0.645  -4.517
  376    HA   PHE  51           HA       PHE  51  10.972  -1.907  -3.120
  377   1HB   PHE  51          HB2       PHE  51  11.010   0.901  -2.328
  378   2HB   PHE  51          HB3       PHE  51   9.712   0.000  -1.552
  379    HD1  PHE  51           HD1      PHE  51  10.475  -2.363  -0.599
  380    HD2  PHE  51           HD2      PHE  51  13.048   0.958  -1.288
  381    HE1  PHE  51           HE1      PHE  51  12.082  -3.278   1.024
  382    HE2  PHE  51           HE2      PHE  51  14.661   0.047   0.333
  383    HZ   PHE  51           HZ       PHE  51  14.173  -2.082   1.491
  384    H    LEU  52           HN       LEU  52   9.060   0.379  -4.915
  385    HA   LEU  52           HA       LEU  52   6.540  -0.690  -4.020
  386   1HB   LEU  52          HB2       LEU  52   7.359   1.331  -6.064
  387   2HB   LEU  52          HB3       LEU  52   5.747   0.654  -6.130
  388    HG   LEU  52           HG       LEU  52   6.959   2.331  -3.942
  389   1HD1  LEU  52          HD11      LEU  52   5.187   3.850  -4.447
  390   2HD1  LEU  52          HD12      LEU  52   5.984   3.427  -5.962
  391   3HD1  LEU  52          HD13      LEU  52   4.434   2.692  -5.545
  392   1HD2  LEU  52          HD21      LEU  52   4.808   2.037  -2.754
  393   2HD2  LEU  52          HD22      LEU  52   4.378   0.778  -3.910
  394   3HD2  LEU  52          HD23      LEU  52   5.761   0.555  -2.841
  395    H    ALA  53           HN       ALA  53   8.900  -1.652  -6.244
  396    HA   ALA  53           HA       ALA  53   7.401  -2.725  -8.333
  397   1HB   ALA  53          HB1       ALA  53   9.284  -4.172  -8.772
  398   2HB   ALA  53          HB2       ALA  53   9.876  -2.584  -8.290
  399   3HB   ALA  53          HB3       ALA  53   9.903  -3.921  -7.140
  400    H    LYS  54           HN       LYS  54   7.611  -3.628  -5.059
  401    HA   LYS  54           HA       LYS  54   6.127  -6.115  -5.581
  402   1HB   LYS  54          HB2       LYS  54   7.907  -5.435  -3.230
  403   2HB   LYS  54          HB3       LYS  54   7.003  -6.932  -3.423
  404   1HG   LYS  54          HG2       LYS  54   8.334  -7.581  -5.294
  405   2HG   LYS  54          HG3       LYS  54   9.123  -6.002  -5.345
  406   1HD   LYS  54          HD2       LYS  54   9.296  -7.892  -3.003
  407   2HD   LYS  54          HD3       LYS  54  10.488  -7.828  -4.303
  408   1HE   LYS  54          HE2       LYS  54  10.893  -5.455  -3.778
  409   2HE   LYS  54          HE3       LYS  54   9.742  -5.569  -2.447
  410   1HZ   LYS  54          HZ1       LYS  54  11.161  -7.225  -1.409
  411   2HZ   LYS  54          HZ2       LYS  54  12.020  -5.792  -1.675
  412   3HZ   LYS  54          HZ3       LYS  54  12.263  -7.124  -2.690
  413    H    MET  55           HN       MET  55   5.841  -3.015  -4.626
  414    HA   MET  55           HA       MET  55   3.495  -3.576  -2.945
  415   1HB   MET  55          HB2       MET  55   5.590  -1.427  -2.540
  416   2HB   MET  55          HB3       MET  55   4.049  -1.473  -1.688
  417   1HG   MET  55          HG2       MET  55   4.659  -3.251  -0.386
  418   2HG   MET  55          HG3       MET  55   5.802  -3.879  -1.573
  419   1HE   MET  55          HE1       MET  55   7.705  -4.348   0.136
  420   2HE   MET  55          HE2       MET  55   8.207  -3.214   1.391
  421   3HE   MET  55          HE3       MET  55   6.585  -3.906   1.425
  422    H    ARG  56           HN       ARG  56   3.859  -2.947  -5.861
  423    HA   ARG  56           HA       ARG  56   2.503  -0.343  -6.013
  424   1HB   ARG  56          HB2       ARG  56   3.072  -0.365  -8.399
  425   2HB   ARG  56          HB3       ARG  56   4.504  -0.541  -7.394
  426   1HG   ARG  56          HG2       ARG  56   4.393  -3.000  -7.792
  427   2HG   ARG  56          HG3       ARG  56   3.089  -2.698  -8.941
  428   1HD   ARG  56          HD2       ARG  56   5.769  -1.359  -9.147
  429   2HD   ARG  56          HD3       ARG  56   5.437  -2.920  -9.894
  430    HE   ARG  56           HE       ARG  56   3.450  -1.096 -10.670
  431   1HH1  ARG  56          HH12      ARG  56   6.850  -1.707 -11.143
  432   2HH1  ARG  56          HH11      ARG  56   6.886  -1.003 -12.726
  433   1HH2  ARG  56          HH22      ARG  56   3.490  -0.173 -12.752
  434   2HH2  ARG  56          HH21      ARG  56   4.976  -0.134 -13.641
  435    H    GLY  57           HN       GLY  57   2.205  -3.718  -7.037
  436   1HA   GLY  57          HA1       GLY  57  -0.100  -3.503  -8.591
  437   2HA   GLY  57          HA2       GLY  57   0.380  -4.940  -7.700
  438    H    ILE  58           HN       ILE  58   0.248  -3.071  -5.223
  439    HA   ILE  58           HA       ILE  58  -2.535  -3.671  -4.641
  440    HB   ILE  58           HB       ILE  58  -0.460  -2.534  -2.780
  441   1HG1  ILE  58          HG12      ILE  58  -0.653  -5.115  -2.058
  442   2HG1  ILE  58          HG13      ILE  58  -0.925  -5.284  -3.782
  443   1HG2  ILE  58          HG21      ILE  58  -3.072  -3.962  -2.299
  444   2HG2  ILE  58          HG22      ILE  58  -1.925  -3.494  -1.044
  445   3HG2  ILE  58          HG23      ILE  58  -2.735  -2.256  -2.004
  446   1HD1  ILE  58          HD11      ILE  58   1.434  -5.571  -3.109
  447   2HD1  ILE  58          HD12      ILE  58   1.189  -4.270  -4.273
  448   3HD1  ILE  58          HD13      ILE  58   1.448  -3.893  -2.571
  449    H    LEU  59           HN       LEU  59  -0.493  -0.961  -5.319
  450    HA   LEU  59           HA       LEU  59  -2.152   1.045  -4.155
  451   1HB   LEU  59          HB2       LEU  59   0.042   1.733  -4.408
  452   2HB   LEU  59          HB3       LEU  59   0.193   1.035  -6.008
  453    HG   LEU  59           HG       LEU  59  -1.239   2.836  -6.911
  454   1HD1  LEU  59          HD11      LEU  59  -2.588   3.448  -5.078
  455   2HD1  LEU  59          HD12      LEU  59  -1.188   3.783  -4.061
  456   3HD1  LEU  59          HD13      LEU  59  -1.566   4.844  -5.417
  457   1HD2  LEU  59          HD21      LEU  59   0.418   4.668  -6.615
  458   2HD2  LEU  59          HD22      LEU  59   1.216   3.686  -5.388
  459   3HD2  LEU  59          HD23      LEU  59   1.133   3.117  -7.055
  460    H    LYS  60           HN       LYS  60  -1.505   0.283  -7.595
  461    HA   LYS  60           HA       LYS  60  -3.585   1.931  -8.549
  462   1HB   LYS  60          HB2       LYS  60  -2.731   1.458 -10.566
  463   2HB   LYS  60          HB3       LYS  60  -1.480   0.592  -9.691
  464   1HG   LYS  60          HG2       LYS  60  -4.012  -0.720 -10.643
  465   2HG   LYS  60          HG3       LYS  60  -2.546  -0.625 -11.616
  466   1HD   LYS  60          HD2       LYS  60  -1.309  -1.835  -9.898
  467   2HD   LYS  60          HD3       LYS  60  -2.758  -1.901  -8.889
  468   1HE   LYS  60          HE2       LYS  60  -3.899  -3.211 -10.601
  469   2HE   LYS  60          HE3       LYS  60  -2.473  -3.123 -11.633
  470   1HZ   LYS  60          HZ1       LYS  60  -2.575  -5.227 -10.468
  471   2HZ   LYS  60          HZ2       LYS  60  -2.613  -4.439  -8.973
  472   3HZ   LYS  60          HZ3       LYS  60  -1.232  -4.341  -9.946
  473    H    SER  61           HN       SER  61  -3.635  -1.153  -7.121
  474    HA   SER  61           HA       SER  61  -6.024  -2.114  -8.393
  475   1HB   SER  61          HB2       SER  61  -4.345  -3.654  -7.435
  476   2HB   SER  61          HB3       SER  61  -4.698  -3.023  -5.827
  477    HG   SER  61           HG       SER  61  -6.932  -3.705  -6.284
  478    H    ILE  62           HN       ILE  62  -5.243  -0.635  -5.269
  479    HA   ILE  62           HA       ILE  62  -8.012  -0.639  -4.442
  480    HB   ILE  62           HB       ILE  62  -5.616   0.671  -3.144
  481   1HG1  ILE  62          HG12      ILE  62  -6.953  -1.972  -2.514
  482   2HG1  ILE  62          HG13      ILE  62  -5.430  -1.801  -3.379
  483   1HG2  ILE  62          HG21      ILE  62  -7.724   1.658  -2.426
  484   2HG2  ILE  62          HG22      ILE  62  -8.363   0.057  -2.053
  485   3HG2  ILE  62          HG23      ILE  62  -7.012   0.705  -1.124
  486   1HD1  ILE  62          HD11      ILE  62  -4.924  -2.356  -1.134
  487   2HD1  ILE  62          HD12      ILE  62  -4.517  -0.654  -1.351
  488   3HD1  ILE  62          HD13      ILE  62  -6.002  -1.106  -0.513
  489    H    ALA  63           HN       ALA  63  -5.774   1.591  -5.919
  490    HA   ALA  63           HA       ALA  63  -7.418   3.899  -5.370
  491   1HB   ALA  63          HB1       ALA  63  -4.969   3.672  -7.104
  492   2HB   ALA  63          HB2       ALA  63  -5.737   5.166  -6.570
  493   3HB   ALA  63          HB3       ALA  63  -4.980   4.094  -5.392
  494    H    SER  64           HN       SER  64  -6.241   2.475  -8.431
  495    HA   SER  64           HA       SER  64  -8.185   3.911  -9.957
  496   1HB   SER  64          HB2       SER  64  -6.006   3.342 -10.912
  497   2HB   SER  64          HB3       SER  64  -6.380   1.624 -10.770
  498    HG   SER  64           HG       SER  64  -7.253   1.823 -12.660
  499    H    ALA  65           HN       ALA  65  -7.784   0.465  -9.162
  500    HA   ALA  65           HA       ALA  65 -10.296  -0.220 -10.392
  501   1HB   ALA  65          HB1       ALA  65  -8.514  -1.806 -10.516
  502   2HB   ALA  65          HB2       ALA  65  -8.351  -1.831  -8.761
  503   3HB   ALA  65          HB3       ALA  65  -9.799  -2.491  -9.520
  504    H    ASP  66           HN       ASP  66  -9.114   0.287  -7.108
  505    HA   ASP  66           HA       ASP  66 -10.169   0.362  -5.086
  506   1HB   ASP  66          HB2       ASP  66 -12.612   1.048  -6.739
  507   2HB   ASP  66          HB3       ASP  66 -12.368   1.400  -5.030
  508    H    MET  67           HN       MET  67  -9.801  -2.073  -5.349
  509    HA   MET  67           HA       MET  67 -12.126  -3.702  -5.787
  510   1HB   MET  67          HB2       MET  67  -9.454  -4.456  -4.596
  511   2HB   MET  67          HB3       MET  67 -10.680  -5.570  -5.183
  512   1HG   MET  67          HG2       MET  67  -9.494  -3.519  -7.004
  513   2HG   MET  67          HG3       MET  67  -8.641  -5.023  -6.665
  514   1HE   MET  67          HE1       MET  67 -11.331  -3.218  -8.602
  515   2HE   MET  67          HE2       MET  67 -12.426  -4.471  -9.188
  516   3HE   MET  67          HE3       MET  67 -12.469  -3.987  -7.494
  517    H    ASP  68           HN       ASP  68 -12.467  -5.502  -4.037
  518    HA   ASP  68           HA       ASP  68 -12.601  -4.287  -1.367
  519   1HB   ASP  68          HB2       ASP  68 -14.877  -5.739  -2.739
  520   2HB   ASP  68          HB3       ASP  68 -14.894  -5.130  -1.087
  521    H    PHE  69           HN       PHE  69 -14.038  -6.453  -0.210
  522    HA   PHE  69           HA       PHE  69 -11.918  -8.221   0.355
  523   1HB   PHE  69          HB2       PHE  69 -13.609  -9.517   1.614
  524   2HB   PHE  69          HB3       PHE  69 -13.675  -7.799   1.981
  525    HD1  PHE  69           HD1      PHE  69 -15.439 -10.642   0.594
  526    HD2  PHE  69           HD2      PHE  69 -15.521  -6.419   1.105
  527    HE1  PHE  69           HE1      PHE  69 -17.837 -10.627   0.048
  528    HE2  PHE  69           HE2      PHE  69 -17.921  -6.396   0.562
  529    HZ   PHE  69           HZ       PHE  69 -19.083  -8.500   0.036
  530    H    ASN  70           HN       ASN  70 -11.766 -10.487  -0.035
  531    HA   ASN  70           HA       ASN  70 -11.689 -12.328  -1.352
  532   1HB   ASN  70          HB2       ASN  70 -14.503 -11.394  -1.764
  533   2HB   ASN  70          HB3       ASN  70 -13.888 -12.760  -2.689
  534   1HD2  ASN  70          HD21      ASN  70 -13.329 -14.663  -1.609
  535   2HD2  ASN  70          HD22      ASN  70 -13.889 -14.999  -0.009
  536    H    GLN  71           HN       GLN  71 -11.361  -9.389  -2.495
  537    HA   GLN  71           HA       GLN  71 -11.143 -10.240  -5.308
  538   1HB   GLN  71          HB2       GLN  71 -11.493  -7.441  -4.215
  539   2HB   GLN  71          HB3       GLN  71 -11.326  -7.859  -5.915
  540   1HG   GLN  71          HG2       GLN  71 -13.582  -8.653  -4.087
  541   2HG   GLN  71          HG3       GLN  71 -13.641  -7.447  -5.370
  542   1HE2  GLN  71          HE21      GLN  71 -15.208  -9.891  -4.978
  543   2HE2  GLN  71          HE22      GLN  71 -14.984 -10.830  -6.411
  544    H    LEU  72           HN       LEU  72  -9.632  -8.462  -2.675
  545    HA   LEU  72           HA       LEU  72  -7.150  -8.154  -4.156
  546   1HB   LEU  72          HB2       LEU  72  -8.114  -7.263  -1.455
  547   2HB   LEU  72          HB3       LEU  72  -6.420  -7.170  -1.887
  548    HG   LEU  72           HG       LEU  72  -8.641  -5.800  -3.396
  549   1HD1  LEU  72          HD11      LEU  72  -7.951  -3.775  -2.327
  550   2HD1  LEU  72          HD12      LEU  72  -8.299  -4.971  -1.076
  551   3HD1  LEU  72          HD13      LEU  72  -6.628  -4.604  -1.504
  552   1HD2  LEU  72          HD21      LEU  72  -6.730  -6.270  -4.802
  553   2HD2  LEU  72          HD22      LEU  72  -6.773  -4.549  -4.421
  554   3HD2  LEU  72          HD23      LEU  72  -5.636  -5.609  -3.586
  555    H    GLU  73           HN       GLU  73  -8.552 -10.157  -1.691
  556    HA   GLU  73           HA       GLU  73  -6.311 -11.214  -0.449
  557   1HB   GLU  73          HB2       GLU  73  -8.623 -11.647   0.271
  558   2HB   GLU  73          HB3       GLU  73  -8.878 -12.649  -1.152
  559   1HG   GLU  73          HG2       GLU  73  -7.157 -14.200  -0.356
  560   2HG   GLU  73          HG3       GLU  73  -6.934 -13.202   1.080
  561    H    ALA  74           HN       ALA  74  -7.500 -11.761  -3.655
  562    HA   ALA  74           HA       ALA  74  -6.098 -14.219  -4.101
  563   1HB   ALA  74          HB1       ALA  74  -7.257 -12.288  -6.106
  564   2HB   ALA  74          HB2       ALA  74  -6.758 -13.950  -6.423
  565   3HB   ALA  74          HB3       ALA  74  -8.123 -13.628  -5.354
  566    H    PHE  75           HN       PHE  75  -5.356 -10.828  -4.445
  567    HA   PHE  75           HA       PHE  75  -3.049 -11.237  -6.103
  568   1HB   PHE  75          HB2       PHE  75  -4.309  -9.148  -6.211
  569   2HB   PHE  75          HB3       PHE  75  -3.917  -8.811  -4.528
  570    HD1  PHE  75           HD1      PHE  75  -1.814  -7.905  -3.911
  571    HD2  PHE  75           HD2      PHE  75  -2.546  -9.097  -7.930
  572    HE1  PHE  75           HE1      PHE  75   0.237  -6.746  -4.620
  573    HE2  PHE  75           HE2      PHE  75  -0.492  -7.941  -8.647
  574    HZ   PHE  75           HZ       PHE  75   0.910  -6.784  -6.993
  575    H    LEU  76           HN       LEU  76  -3.561 -10.410  -2.689
  576    HA   LEU  76           HA       LEU  76  -0.891 -10.232  -1.912
  577   1HB   LEU  76          HB2       LEU  76  -3.269  -9.930  -0.673
  578   2HB   LEU  76          HB3       LEU  76  -2.777 -11.472  -0.001
  579    HG   LEU  76           HG       LEU  76  -2.122  -9.737   1.505
  580   1HD1  LEU  76          HD11      LEU  76   0.317 -10.685   0.023
  581   2HD1  LEU  76          HD12      LEU  76   0.260 -10.102   1.686
  582   3HD1  LEU  76          HD13      LEU  76  -0.559 -11.601   1.249
  583   1HD2  LEU  76          HD21      LEU  76  -0.925  -8.460  -0.921
  584   2HD2  LEU  76          HD22      LEU  76  -2.079  -7.788   0.227
  585   3HD2  LEU  76          HD23      LEU  76  -0.400  -8.033   0.706
  586    H    THR  77           HN       THR  77  -2.749 -12.953  -2.815
  587    HA   THR  77           HA       THR  77  -1.180 -14.913  -1.392
  588    HB   THR  77           HB       THR  77  -3.173 -15.325  -3.632
  589    HG1  THR  77           HG1      THR  77  -4.414 -16.049  -1.632
  590   1HG2  THR  77          HG21      THR  77  -1.663 -17.227  -3.344
  591   2HG2  THR  77          HG22      THR  77  -3.288 -17.630  -2.791
  592   3HG2  THR  77          HG23      THR  77  -2.023 -17.262  -1.618
  593    H    ALA  78           HN       ALA  78  -1.134 -13.356  -4.487
  594    HA   ALA  78           HA       ALA  78   0.625 -15.279  -5.725
  595   1HB   ALA  78          HB1       ALA  78   0.788 -13.516  -7.515
  596   2HB   ALA  78          HB2       ALA  78  -0.849 -14.081  -7.177
  597   3HB   ALA  78          HB3       ALA  78  -0.304 -12.527  -6.546
  598    H    GLN  79           HN       GLN  79   0.892 -12.088  -4.239
  599    HA   GLN  79           HA       GLN  79   3.688 -11.824  -4.721
  600   1HB   GLN  79          HB2       GLN  79   3.559  -9.955  -3.111
  601   2HB   GLN  79          HB3       GLN  79   2.293  -9.862  -4.327
  602   1HG   GLN  79          HG2       GLN  79   0.692 -10.785  -2.748
  603   2HG   GLN  79          HG3       GLN  79   1.953 -10.878  -1.522
  604   1HE2  GLN  79          HE21      GLN  79   2.705  -8.991  -0.568
  605   2HE2  GLN  79          HE22      GLN  79   1.859  -7.491  -0.695
  606    H    THR  80           HN       THR  80   4.996 -11.296  -2.488
  607    HA   THR  80           HA       THR  80   6.301 -12.437  -0.989
  608    HB   THR  80           HB       THR  80   4.570 -11.444   0.449
  609    HG1  THR  80           HG1      THR  80   4.747 -13.453   2.040
  610   1HG2  THR  80          HG21      THR  80   2.585 -12.562  -0.412
  611   2HG2  THR  80          HG22      THR  80   2.739 -12.833   1.323
  612   3HG2  THR  80          HG23      THR  80   3.177 -14.111   0.188
  613    H    LYS  81           HN       LYS  81   5.231 -14.048  -3.236
  614    HA   LYS  81           HA       LYS  81   5.895 -16.668  -2.152
  615   1HB   LYS  81          HB2       LYS  81   3.330 -15.976  -3.567
  616   2HB   LYS  81          HB3       LYS  81   3.969 -17.612  -3.598
  617   1HG   LYS  81          HG2       LYS  81   4.019 -17.419  -1.036
  618   2HG   LYS  81          HG3       LYS  81   2.960 -16.027  -1.270
  619   1HD   LYS  81          HD2       LYS  81   1.415 -17.492  -2.553
  620   2HD   LYS  81          HD3       LYS  81   2.447 -18.865  -2.157
  621   1HE   LYS  81          HE2       LYS  81   0.984 -17.103  -0.195
  622   2HE   LYS  81          HE3       LYS  81   0.550 -18.753  -0.641
  623   1HZ   LYS  81          HZ1       LYS  81   3.070 -17.941   0.708
  624   2HZ   LYS  81          HZ2       LYS  81   2.634 -19.523   0.298
  625   3HZ   LYS  81          HZ3       LYS  81   1.744 -18.676   1.461
  626    H    LYS  82           HN       LYS  82   5.620 -14.418  -4.745
  627    HA   LYS  82           HA       LYS  82   6.776 -16.237  -6.689
  628   1HB   LYS  82          HB2       LYS  82   6.304 -14.622  -8.335
  629   2HB   LYS  82          HB3       LYS  82   4.921 -14.612  -7.254
  630   1HG   LYS  82          HG2       LYS  82   7.092 -12.567  -7.549
  631   2HG   LYS  82          HG3       LYS  82   5.348 -12.370  -7.720
  632   1HD   LYS  82          HD2       LYS  82   5.170 -12.915  -5.264
  633   2HD   LYS  82          HD3       LYS  82   6.926 -12.751  -5.194
  634   1HE   LYS  82          HE2       LYS  82   5.050 -10.634  -6.202
  635   2HE   LYS  82          HE3       LYS  82   5.688 -10.698  -4.561
  636   1HZ   LYS  82          HZ1       LYS  82   6.955  -9.196  -5.999
  637   2HZ   LYS  82          HZ2       LYS  82   7.339 -10.490  -7.019
  638   3HZ   LYS  82          HZ3       LYS  82   7.911 -10.470  -5.428
  639    H    GLN  83           HN       GLN  83   8.419 -14.789  -8.205
  640    HA   GLN  83           HA       GLN  83  10.826 -14.756  -6.762
  641   1HB   GLN  83          HB2       GLN  83  11.794 -13.690  -8.782
  642   2HB   GLN  83          HB3       GLN  83  10.832 -15.115  -9.151
  643   1HG   GLN  83          HG2       GLN  83   8.966 -13.686  -9.814
  644   2HG   GLN  83          HG3       GLN  83   9.930 -12.257  -9.440
  645   1HE2  GLN  83          HE21      GLN  83   9.831 -11.480 -11.534
  646   2HE2  GLN  83          HE22      GLN  83  10.699 -12.211 -12.837
  647    H    GLY  84           HN       GLY  84  11.733 -13.269  -5.494
  648   1HA   GLY  84          HA1       GLY  84  12.313 -11.156  -4.706
  649   2HA   GLY  84          HA2       GLY  84  11.231 -10.446  -5.896
  650    H    GLY  85           HN       GLY  85   9.216 -12.529  -4.794
  651   1HA   GLY  85          HA1       GLY  85   7.423 -11.092  -3.501
  652   2HA   GLY  85          HA2       GLY  85   7.731 -12.752  -3.026
  653    H    ILE  86           HN       ILE  86   7.110  -9.990  -1.745
  654    HA   ILE  86           HA       ILE  86   9.159  -9.352   0.047
  655    HB   ILE  86           HB       ILE  86   7.465  -8.126   1.271
  656   1HG1  ILE  86          HG12      ILE  86   5.544  -9.800  -0.367
  657   2HG1  ILE  86          HG13      ILE  86   5.679  -9.735   1.385
  658   1HG2  ILE  86          HG21      ILE  86   7.155  -8.088  -1.731
  659   2HG2  ILE  86          HG22      ILE  86   6.503  -6.841  -0.664
  660   3HG2  ILE  86          HG23      ILE  86   8.244  -7.109  -0.749
  661   1HD1  ILE  86          HD11      ILE  86   4.892  -7.383   1.298
  662   2HD1  ILE  86          HD12      ILE  86   4.632  -7.583  -0.436
  663   3HD1  ILE  86          HD13      ILE  86   3.714  -8.560   0.711
  664    H    THR  87           HN       THR  87   8.794  -9.509   2.508
  665    HA   THR  87           HA       THR  87   8.777 -12.302   3.179
  666    HB   THR  87           HB       THR  87   9.360 -11.588   5.438
  667    HG1  THR  87           HG1      THR  87   7.998  -9.651   5.369
  668   1HG2  THR  87          HG21      THR  87  11.447 -10.416   4.937
  669   2HG2  THR  87          HG22      THR  87  10.836  -9.997   3.337
  670   3HG2  THR  87          HG23      THR  87  11.138 -11.684   3.752
  671    H    SER  88           HN       SER  88   7.633 -12.958   5.282
  672    HA   SER  88           HA       SER  88   4.853 -12.865   4.846
  673   1HB   SER  88          HB2       SER  88   5.939 -14.750   5.976
  674   2HB   SER  88          HB3       SER  88   6.381 -13.702   7.323
  675    HG   SER  88           HG       SER  88   4.406 -15.028   7.547
  676    H    ASP  89           HN       ASP  89   6.984 -11.037   6.955
  677    HA   ASP  89           HA       ASP  89   4.950  -9.813   8.509
  678   1HB   ASP  89          HB2       ASP  89   7.269  -9.893   9.276
  679   2HB   ASP  89          HB3       ASP  89   7.773  -8.897   7.915
  680    H    GLN  90           HN       GLN  90   6.728  -8.810   5.617
  681    HA   GLN  90           HA       GLN  90   5.549  -6.257   5.383
  682   1HB   GLN  90          HB2       GLN  90   6.814  -8.054   3.307
  683   2HB   GLN  90          HB3       GLN  90   6.348  -6.386   3.009
  684   1HG   GLN  90          HG2       GLN  90   7.911  -5.632   4.718
  685   2HG   GLN  90          HG3       GLN  90   8.360  -7.304   5.053
  686   1HE2  GLN  90          HE21      GLN  90   7.719  -6.076   1.844
  687   2HE2  GLN  90          HE22      GLN  90   9.343  -6.189   1.265
  688    H    ALA  91           HN       ALA  91   4.594  -9.444   4.302
  689    HA   ALA  91           HA       ALA  91   2.424  -8.455   2.670
  690   1HB   ALA  91          HB1       ALA  91   3.060 -11.281   3.508
  691   2HB   ALA  91          HB2       ALA  91   1.933 -10.788   2.245
  692   3HB   ALA  91          HB3       ALA  91   3.660 -10.488   2.052
  693    H    ALA  92           HN       ALA  92   2.903  -9.315   5.957
  694    HA   ALA  92           HA       ALA  92   0.264 -10.151   6.593
  695   1HB   ALA  92          HB1       ALA  92   2.383  -8.987   8.390
  696   2HB   ALA  92          HB2       ALA  92   0.923  -9.824   8.919
  697   3HB   ALA  92          HB3       ALA  92   2.163 -10.697   8.016
  698    H    VAL  93           HN       VAL  93   1.839  -7.003   6.488
  699    HA   VAL  93           HA       VAL  93  -0.421  -5.703   7.733
  700    HB   VAL  93           HB       VAL  93   2.257  -5.037   7.456
  701   1HG1  VAL  93          HG11      VAL  93   1.850  -4.152   5.212
  702   2HG1  VAL  93          HG12      VAL  93   0.619  -3.072   5.866
  703   3HG1  VAL  93          HG13      VAL  93   2.304  -2.879   6.345
  704   1HG2  VAL  93          HG21      VAL  93   1.587  -2.978   8.674
  705   2HG2  VAL  93          HG22      VAL  93  -0.097  -3.402   8.368
  706   3HG2  VAL  93          HG23      VAL  93   0.916  -4.465   9.346
  707    H    ILE  94           HN       ILE  94   0.842  -6.165   4.482
  708    HA   ILE  94           HA       ILE  94  -0.953  -4.311   3.245
  709    HB   ILE  94           HB       ILE  94   0.544  -6.603   1.963
  710   1HG1  ILE  94          HG12      ILE  94   1.316  -3.688   2.237
  711   2HG1  ILE  94          HG13      ILE  94   2.040  -5.018   3.134
  712   1HG2  ILE  94          HG21      ILE  94  -1.295  -5.769   0.594
  713   2HG2  ILE  94          HG22      ILE  94  -0.687  -4.122   0.766
  714   3HG2  ILE  94          HG23      ILE  94   0.261  -5.325  -0.109
  715   1HD1  ILE  94          HD11      ILE  94   2.150  -4.619   0.153
  716   2HD1  ILE  94          HD12      ILE  94   3.460  -4.334   1.297
  717   3HD1  ILE  94          HD13      ILE  94   2.861  -5.972   1.035
  718    H    SER  95           HN       SER  95  -0.996  -7.770   3.898
  719    HA   SER  95           HA       SER  95  -3.204  -8.501   2.344
  720   1HB   SER  95          HB2       SER  95  -1.739 -10.151   3.408
  721   2HB   SER  95          HB3       SER  95  -2.299  -9.639   5.000
  722    HG   SER  95           HG       SER  95  -3.427 -11.478   4.329
  723    H    LYS  96           HN       LYS  96  -3.042  -6.525   5.077
  724    HA   LYS  96           HA       LYS  96  -5.754  -7.023   5.964
  725   1HB   LYS  96          HB2       LYS  96  -3.755  -4.962   6.903
  726   2HB   LYS  96          HB3       LYS  96  -5.262  -5.391   7.704
  727   1HG   LYS  96          HG2       LYS  96  -4.474  -7.496   8.323
  728   2HG   LYS  96          HG3       LYS  96  -3.129  -7.428   7.183
  729   1HD   LYS  96          HD2       LYS  96  -2.212  -7.069   9.340
  730   2HD   LYS  96          HD3       LYS  96  -2.237  -5.497   8.537
  731   1HE   LYS  96          HE2       LYS  96  -4.352  -4.978   9.704
  732   2HE   LYS  96          HE3       LYS  96  -4.228  -6.515  10.558
  733   1HZ   LYS  96          HZ1       LYS  96  -2.272  -4.285  10.714
  734   2HZ   LYS  96          HZ2       LYS  96  -2.146  -5.761  11.531
  735   3HZ   LYS  96          HZ3       LYS  96  -3.403  -4.694  11.905
  736    H    PHE  97           HN       PHE  97  -4.563  -5.462   3.415
  737    HA   PHE  97           HA       PHE  97  -5.414  -2.893   3.334
  738   1HB   PHE  97          HB2       PHE  97  -5.989  -3.415   0.836
  739   2HB   PHE  97          HB3       PHE  97  -4.334  -3.472   1.414
  740    HD1  PHE  97           HD1      PHE  97  -3.877  -4.831  -0.684
  741    HD2  PHE  97           HD2      PHE  97  -6.429  -6.199   2.434
  742    HE1  PHE  97           HE1      PHE  97  -3.699  -7.128  -1.545
  743    HE2  PHE  97           HE2      PHE  97  -6.250  -8.501   1.579
  744    HZ   PHE  97           HZ       PHE  97  -4.747  -8.919  -0.491
  745    H    TRP  98           HN       TRP  98  -7.601  -5.554   3.722
  746    HA   TRP  98           HA       TRP  98  -9.775  -3.622   3.290
  747   1HB   TRP  98          HB2       TRP  98 -11.234  -5.522   2.496
  748   2HB   TRP  98          HB3       TRP  98  -9.981  -4.994   1.384
  749    HD1  TRP  98           HD1      TRP  98  -8.532  -6.834   0.385
  750    HE1  TRP  98           HE1      TRP  98  -8.102  -9.320   0.884
  751    HE3  TRP  98           HE3      TRP  98 -11.203  -7.273   4.728
  752    HZ2  TRP  98           HZ2      TRP  98  -8.807 -11.217   2.843
  753    HZ3  TRP  98           HZ3      TRP  98 -11.280  -9.463   5.843
  754    HH2  TRP  98           HH2      TRP  98 -10.107 -11.394   4.919
  755    H    LYS  99           HN       LYS  99  -8.331  -5.704   5.486
  756    HA   LYS  99           HA       LYS  99 -10.834  -6.155   6.932
  757   1HB   LYS  99          HB2       LYS  99  -9.579  -7.650   8.365
  758   2HB   LYS  99          HB3       LYS  99  -9.292  -8.061   6.685
  759   1HG   LYS  99          HG2       LYS  99  -7.178  -8.211   7.546
  760   2HG   LYS  99          HG3       LYS  99  -7.188  -6.552   6.959
  761   1HD   LYS  99          HD2       LYS  99  -6.188  -6.749   9.200
  762   2HD   LYS  99          HD3       LYS  99  -7.622  -5.725   9.196
  763   1HE   LYS  99          HE2       LYS  99  -8.952  -7.618  10.019
  764   2HE   LYS  99          HE3       LYS  99  -7.494  -8.610  10.065
  765   1HZ   LYS  99          HZ1       LYS  99  -7.979  -6.143  11.648
  766   2HZ   LYS  99          HZ2       LYS  99  -6.552  -7.053  11.675
  767   3HZ   LYS  99          HZ3       LYS  99  -7.995  -7.727  12.244
  768    H    SER 100           HN       SER 100  -8.353  -3.920   6.766
  769    HA   SER 100           HA       SER 100  -8.215  -3.233   9.553
  770   1HB   SER 100          HB2       SER 100  -6.872  -1.323   8.795
  771   2HB   SER 100          HB3       SER 100  -6.314  -2.816   8.040
  772    HG   SER 100           HG       SER 100  -6.779  -1.992   6.171
  773    H    HIS 101           HN       HIS 101 -10.375  -2.599   7.010
  774    HA   HIS 101           HA       HIS 101 -11.623  -0.451   8.590
  775   1HB   HIS 101          HB2       HIS 101 -11.339  -0.587   5.583
  776   2HB   HIS 101          HB3       HIS 101 -12.361   0.569   6.430
  777    HD1  HIS 101           HD1      HIS 101  -8.909  -0.010   5.341
  778    HD2  HIS 101           HD2      HIS 101 -10.881   2.464   8.035
  779    HE1  HIS 101           HE1      HIS 101  -7.269   1.811   5.907
  780    HE2  HIS 101           HE2      HIS 101  -8.463   3.263   7.583
  781    H    LYS 102           HN       LYS 102 -11.997  -3.515   7.892
  782    HA   LYS 102           HA       LYS 102 -14.906  -3.311   7.847
  783   1HB   LYS 102          HB2       LYS 102 -14.121  -3.610   5.485
  784   2HB   LYS 102          HB3       LYS 102 -13.441  -5.159   5.963
  785   1HG   LYS 102          HG2       LYS 102 -15.666  -5.955   6.573
  786   2HG   LYS 102          HG3       LYS 102 -16.352  -4.398   6.106
  787   1HD   LYS 102          HD2       LYS 102 -16.688  -5.943   4.302
  788   2HD   LYS 102          HD3       LYS 102 -15.465  -4.771   3.808
  789   1HE   LYS 102          HE2       LYS 102 -14.823  -7.030   3.158
  790   2HE   LYS 102          HE3       LYS 102 -13.704  -6.376   4.351
  791   1HZ   LYS 102          HZ1       LYS 102 -14.302  -8.674   4.828
  792   2HZ   LYS 102          HZ2       LYS 102 -15.935  -8.247   4.937
  793   3HZ   LYS 102          HZ3       LYS 102 -14.825  -7.642   6.062
  794    H    THR 103           HN       THR 103 -14.084  -3.846  10.127
  795    HA   THR 103           HA       THR 103 -14.506  -6.689  10.533
  796    HB   THR 103           HB       THR 103 -12.590  -6.768  12.211
  797    HG1  THR 103           HG1      THR 103 -11.474  -4.688  10.647
  798   1HG2  THR 103          HG21      THR 103 -11.867  -6.512   9.290
  799   2HG2  THR 103          HG22      THR 103 -12.531  -7.953  10.061
  800   3HG2  THR 103          HG23      THR 103 -10.935  -7.362  10.521
  801    H    LYS 104           HN       LYS 104 -13.221  -4.080  12.581
  802    HA   LYS 104           HA       LYS 104 -15.664  -4.266  14.215
  803   1HB   LYS 104          HB2       LYS 104 -12.789  -4.002  15.078
  804   2HB   LYS 104          HB3       LYS 104 -14.119  -3.559  16.136
  805   1HG   LYS 104          HG2       LYS 104 -13.570  -5.730  16.768
  806   2HG   LYS 104          HG3       LYS 104 -14.995  -5.921  15.747
  807   1HD   LYS 104          HD2       LYS 104 -13.398  -7.609  15.150
  808   2HD   LYS 104          HD3       LYS 104 -13.482  -6.434  13.837
  809   1HE   LYS 104          HE2       LYS 104 -11.168  -7.121  14.378
  810   2HE   LYS 104          HE3       LYS 104 -11.438  -5.390  14.576
  811   1HZ   LYS 104          HZ1       LYS 104 -11.648  -5.722  16.954
  812   2HZ   LYS 104          HZ2       LYS 104 -10.164  -6.329  16.413
  813   3HZ   LYS 104          HZ3       LYS 104 -11.431  -7.391  16.774
  814    H    ILE 105           HN       ILE 105 -14.631  -2.438  11.987
  815    HA   ILE 105           HA       ILE 105 -14.605   0.126  13.404
  816    HB   ILE 105           HB       ILE 105 -14.100  -0.462  10.484
  817   1HG1  ILE 105          HG12      ILE 105 -11.738   0.327  11.223
  818   2HG1  ILE 105          HG13      ILE 105 -12.285  -0.059  12.851
  819   1HG2  ILE 105          HG21      ILE 105 -13.938   2.080  12.085
  820   2HG2  ILE 105          HG22      ILE 105 -13.208   1.882  10.491
  821   3HG2  ILE 105          HG23      ILE 105 -14.955   1.746  10.684
  822   1HD1  ILE 105          HD11      ILE 105 -12.641  -2.358  12.225
  823   2HD1  ILE 105          HD12      ILE 105 -12.228  -1.995  10.549
  824   3HD1  ILE 105          HD13      ILE 105 -10.998  -1.871  11.806
  825    H    ARG 106           HN       ARG 106 -16.067  -1.032  10.359
  826    HA   ARG 106           HA       ARG 106 -18.256   0.833  10.674
  827   1HB   ARG 106          HB2       ARG 106 -17.246   0.445   8.462
  828   2HB   ARG 106          HB3       ARG 106 -17.742  -1.241   8.534
  829   1HG   ARG 106          HG2       ARG 106 -20.098  -0.503   8.629
  830   2HG   ARG 106          HG3       ARG 106 -19.550   1.163   8.434
  831   1HD   ARG 106          HD2       ARG 106 -20.284   0.169   6.308
  832   2HD   ARG 106          HD3       ARG 106 -18.582   0.626   6.280
  833    HE   ARG 106           HE       ARG 106 -18.447  -1.956   6.976
  834   1HH1  ARG 106          HH12      ARG 106 -20.219  -0.334   4.452
  835   2HH1  ARG 106          HH11      ARG 106 -20.170  -1.688   3.372
  836   1HH2  ARG 106          HH22      ARG 106 -18.376  -3.739   5.559
  837   2HH2  ARG 106          HH21      ARG 106 -19.120  -3.620   4.000
  838    H    GLU 107           HN       GLU 107 -18.060  -2.693  10.142
  839    HA   GLU 107           HA       GLU 107 -20.754  -3.000  11.192
  840   1HB   GLU 107          HB2       GLU 107 -20.085  -4.234   9.168
  841   2HB   GLU 107          HB3       GLU 107 -18.839  -5.063  10.090
  842   1HG   GLU 107          HG2       GLU 107 -20.741  -6.504   9.814
  843   2HG   GLU 107          HG3       GLU 107 -20.578  -6.058  11.512
  844    H    SER 108           HN       SER 108 -21.300  -4.097  13.038
  845    HA   SER 108           HA       SER 108 -19.089  -4.941  14.788
  846   1HB   SER 108          HB2       SER 108 -19.915  -2.779  15.569
  847   2HB   SER 108          HB3       SER 108 -21.565  -3.398  15.598
  848    HG   SER 108           HG       SER 108 -19.480  -4.582  17.096
  Start of MODEL   11
    1   1H    MET   1          H1        MET   1  21.239  -6.677   8.430
    2   2H    MET   1          H2        MET   1  20.354  -7.180   9.780
    3   3H    MET   1          H3        MET   1  21.018  -5.625   9.736
    4    HA   MET   1           HA       MET   1  18.918  -6.632   7.909
    5   1HB   MET   1          HB2       MET   1  18.749  -4.803  10.311
    6   2HB   MET   1          HB3       MET   1  17.449  -5.028   9.149
    7   1HG   MET   1          HG2       MET   1  17.389  -7.421   9.716
    8   2HG   MET   1          HG3       MET   1  18.642  -7.145  10.926
    9   1HE   MET   1          HE1       MET   1  18.284  -5.719  13.136
   10   2HE   MET   1          HE2       MET   1  17.839  -4.342  12.128
   11   3HE   MET   1          HE3       MET   1  16.810  -4.815  13.480
   12    H    ALA   2           HN       ALA   2  19.086  -5.630   6.029
   13    HA   ALA   2           HA       ALA   2  19.475  -2.745   5.966
   14   1HB   ALA   2          HB1       ALA   2  21.271  -4.612   4.420
   15   2HB   ALA   2          HB2       ALA   2  21.256  -2.852   4.304
   16   3HB   ALA   2          HB3       ALA   2  21.748  -3.633   5.807
   17    H    ALA   3           HN       ALA   3  19.229  -5.641   3.907
   18    HA   ALA   3           HA       ALA   3  17.427  -4.152   2.125
   19   1HB   ALA   3          HB1       ALA   3  17.918  -5.855   0.453
   20   2HB   ALA   3          HB2       ALA   3  19.404  -5.128   1.063
   21   3HB   ALA   3          HB3       ALA   3  18.913  -6.728   1.618
   22    H    GLY   4           HN       GLY   4  15.362  -4.808   1.762
   23   1HA   GLY   4          HA1       GLY   4  13.665  -6.526   1.698
   24   2HA   GLY   4          HA2       GLY   4  14.475  -7.309   3.048
   25    H    GLU   5           HN       GLU   5  14.793  -4.446   4.173
   26    HA   GLU   5           HA       GLU   5  12.029  -4.102   5.119
   27   1HB   GLU   5          HB2       GLU   5  13.259  -5.304   6.844
   28   2HB   GLU   5          HB3       GLU   5  14.529  -4.089   6.819
   29   1HG   GLU   5          HG2       GLU   5  12.978  -2.420   7.657
   30   2HG   GLU   5          HG3       GLU   5  11.671  -3.603   7.628
   31    H    LEU   6           HN       LEU   6  11.307  -2.090   4.925
   32    HA   LEU   6           HA       LEU   6  13.020  -0.007   3.960
   33   1HB   LEU   6          HB2       LEU   6  10.109  -0.067   4.742
   34   2HB   LEU   6          HB3       LEU   6  10.907   1.386   4.173
   35    HG   LEU   6           HG       LEU   6  11.433   0.199   2.037
   36   1HD1  LEU   6          HD11      LEU   6   9.654  -1.927   3.224
   37   2HD1  LEU   6          HD12      LEU   6  10.140  -1.846   1.531
   38   3HD1  LEU   6          HD13      LEU   6  11.354  -2.091   2.785
   39   1HD2  LEU   6          HD21      LEU   6   9.555   1.686   2.100
   40   2HD2  LEU   6          HD22      LEU   6   9.095   0.250   1.183
   41   3HD2  LEU   6          HD23      LEU   6   8.540   0.452   2.846
   42    H    GLU   7           HN       GLU   7  10.943  -0.258   6.845
   43    HA   GLU   7           HA       GLU   7  12.913   0.714   8.622
   44   1HB   GLU   7          HB2       GLU   7  11.968   2.904   9.152
   45   2HB   GLU   7          HB3       GLU   7  12.477   2.841   7.470
   46   1HG   GLU   7          HG2       GLU   7  10.162   2.491   6.780
   47   2HG   GLU   7          HG3       GLU   7   9.652   2.549   8.466
   48    H    GLY   8           HN       GLY   8  10.129  -0.814   7.909
   49   1HA   GLY   8          HA1       GLY   8   9.471  -2.066  10.103
   50   2HA   GLY   8          HA2       GLY   8   8.903  -0.464  10.551
   51    H    GLY   9           HN       GLY   9   6.911  -1.934  10.742
   52   1HA   GLY   9          HA1       GLY   9   5.594  -2.548   8.233
   53   2HA   GLY   9          HA2       GLY   9   4.951  -2.820   9.845
   54    H    LYS  10           HN       LYS  10   5.701   0.083  10.439
   55    HA   LYS  10           HA       LYS  10   3.200   1.220  10.218
   56   1HB   LYS  10          HB2       LYS  10   4.910   2.089  11.715
   57   2HB   LYS  10          HB3       LYS  10   5.875   2.619  10.346
   58   1HG   LYS  10          HG2       LYS  10   4.070   4.172   9.711
   59   2HG   LYS  10          HG3       LYS  10   3.172   3.674  11.145
   60   1HD   LYS  10          HD2       LYS  10   4.997   4.466  12.566
   61   2HD   LYS  10          HD3       LYS  10   5.905   4.953  11.134
   62   1HE   LYS  10          HE2       LYS  10   4.783   6.860  12.168
   63   2HE   LYS  10          HE3       LYS  10   4.155   6.545  10.550
   64   1HZ   LYS  10          HZ1       LYS  10   2.268   5.403  11.555
   65   2HZ   LYS  10          HZ2       LYS  10   2.369   7.002  12.098
   66   3HZ   LYS  10          HZ3       LYS  10   2.866   5.735  13.103
   67    HA   PRO  11           HA       PRO  11   4.599   3.541   6.193
   68   1HB   PRO  11          HB2       PRO  11   6.592   2.395   4.746
   69   2HB   PRO  11          HB3       PRO  11   6.881   3.640   5.967
   70   1HG   PRO  11          HG2       PRO  11   7.147   0.664   6.198
   71   2HG   PRO  11          HG3       PRO  11   8.241   1.933   6.779
   72   1HD   PRO  11          HD2       PRO  11   6.513   0.679   8.419
   73   2HD   PRO  11          HD3       PRO  11   6.933   2.391   8.630
   74    H    LEU  12           HN       LEU  12   5.410   0.080   5.853
   75    HA   LEU  12           HA       LEU  12   4.237  -0.356   3.388
   76   1HB   LEU  12          HB2       LEU  12   5.707  -1.929   4.658
   77   2HB   LEU  12          HB3       LEU  12   4.323  -2.340   5.650
   78    HG   LEU  12           HG       LEU  12   3.153  -3.217   3.683
   79   1HD1  LEU  12          HD11      LEU  12   5.675  -2.450   2.227
   80   2HD1  LEU  12          HD12      LEU  12   4.424  -3.505   1.572
   81   3HD1  LEU  12          HD13      LEU  12   4.050  -1.825   1.950
   82   1HD2  LEU  12          HD21      LEU  12   4.537  -4.718   5.021
   83   2HD2  LEU  12          HD22      LEU  12   4.555  -5.182   3.320
   84   3HD2  LEU  12          HD23      LEU  12   5.934  -4.333   4.017
   85    H    SER  13           HN       SER  13   2.709  -0.061   6.509
   86    HA   SER  13           HA       SER  13   0.201  -1.174   5.634
   87   1HB   SER  13          HB2       SER  13  -0.637  -0.542   7.821
   88   2HB   SER  13          HB3       SER  13   0.957  -1.275   8.006
   89    HG   SER  13           HG       SER  13   1.745   0.581   8.661
   90    H    GLY  14           HN       GLY  14   1.704   1.945   5.709
   91   1HA   GLY  14          HA1       GLY  14  -0.832   3.212   4.903
   92   2HA   GLY  14          HA2       GLY  14   0.549   4.064   5.576
   93    H    LEU  15           HN       LEU  15   1.456   1.691   3.350
   94    HA   LEU  15           HA       LEU  15   2.525   3.580   1.526
   95   1HB   LEU  15          HB2       LEU  15   2.685   0.787   1.991
   96   2HB   LEU  15          HB3       LEU  15   2.267   1.011   0.306
   97    HG   LEU  15           HG       LEU  15   4.639   0.853   0.432
   98   1HD1  LEU  15          HD11      LEU  15   5.355   2.992  -0.469
   99   2HD1  LEU  15          HD12      LEU  15   3.776   2.540  -1.107
  100   3HD1  LEU  15          HD13      LEU  15   3.897   3.761   0.159
  101   1HD2  LEU  15          HD21      LEU  15   5.107   1.271   2.708
  102   2HD2  LEU  15          HD22      LEU  15   5.936   2.534   1.802
  103   3HD2  LEU  15          HD23      LEU  15   4.422   2.893   2.631
  104    H    LEU  16           HN       LEU  16   0.001   1.104   1.006
  105    HA   LEU  16           HA       LEU  16  -0.840   1.930  -1.493
  106   1HB   LEU  16          HB2       LEU  16  -2.727   0.901   0.625
  107   2HB   LEU  16          HB3       LEU  16  -2.886   0.747  -1.111
  108    HG   LEU  16           HG       LEU  16  -2.256  -1.383  -0.508
  109   1HD1  LEU  16          HD11      LEU  16  -0.719  -0.548  -2.218
  110   2HD1  LEU  16          HD12      LEU  16   0.402  -0.033  -0.957
  111   3HD1  LEU  16          HD13      LEU  16   0.051  -1.747  -1.178
  112   1HD2  LEU  16          HD21      LEU  16  -1.630  -0.380   1.889
  113   2HD2  LEU  16          HD22      LEU  16  -1.184  -2.007   1.377
  114   3HD2  LEU  16          HD23      LEU  16  -0.007  -0.700   1.279
  115    H    ASN  17           HN       ASN  17  -1.229   3.437   1.540
  116    HA   ASN  17           HA       ASN  17  -3.471   5.098   0.811
  117   1HB   ASN  17          HB2       ASN  17  -1.626   4.931   3.182
  118   2HB   ASN  17          HB3       ASN  17  -2.769   6.265   3.008
  119   1HD2  ASN  17          HD21      ASN  17  -2.638   4.170   5.021
  120   2HD2  ASN  17          HD22      ASN  17  -4.160   3.354   4.967
  121    H    ALA  18           HN       ALA  18  -0.041   5.705   1.568
  122    HA   ALA  18           HA       ALA  18   0.033   8.413   0.882
  123   1HB   ALA  18          HB1       ALA  18   1.787   7.238   2.144
  124   2HB   ALA  18          HB2       ALA  18   2.273   6.406   0.667
  125   3HB   ALA  18          HB3       ALA  18   2.436   8.157   0.790
  126    H    LEU  19           HN       LEU  19   0.233   5.535  -1.082
  127    HA   LEU  19           HA       LEU  19   1.189   6.845  -3.443
  128   1HB   LEU  19          HB2       LEU  19  -0.124   4.148  -3.136
  129   2HB   LEU  19          HB3       LEU  19   0.764   4.708  -4.540
  130    HG   LEU  19           HG       LEU  19   2.012   4.391  -1.814
  131   1HD1  LEU  19          HD11      LEU  19   1.147   2.240  -2.695
  132   2HD1  LEU  19          HD12      LEU  19   2.136   2.475  -4.136
  133   3HD1  LEU  19          HD13      LEU  19   2.904   2.290  -2.559
  134   1HD2  LEU  19          HD21      LEU  19   4.104   4.463  -3.071
  135   2HD2  LEU  19          HD22      LEU  19   3.203   4.695  -4.568
  136   3HD2  LEU  19          HD23      LEU  19   3.161   5.933  -3.313
  137    H    ALA  20           HN       ALA  20  -1.558   7.422  -1.990
  138    HA   ALA  20           HA       ALA  20  -3.661   6.882  -3.704
  139   1HB   ALA  20          HB1       ALA  20  -3.937   7.859  -1.477
  140   2HB   ALA  20          HB2       ALA  20  -3.260   9.378  -2.062
  141   3HB   ALA  20          HB3       ALA  20  -4.794   8.792  -2.705
  142    H    GLN  21           HN       GLN  21  -2.102  10.083  -3.538
  143    HA   GLN  21           HA       GLN  21  -1.762  11.696  -5.098
  144   1HB   GLN  21          HB2       GLN  21  -1.148   9.167  -6.533
  145   2HB   GLN  21          HB3       GLN  21  -1.310  10.623  -7.504
  146   1HG   GLN  21          HG2       GLN  21   1.007  10.199  -6.895
  147   2HG   GLN  21          HG3       GLN  21   0.424  11.713  -6.205
  148   1HE2  GLN  21          HE21      GLN  21   2.027  11.687  -4.613
  149   2HE2  GLN  21          HE22      GLN  21   1.953  10.611  -3.265
  150    H    ASP  22           HN       ASP  22  -3.688  12.741  -5.174
  151    HA   ASP  22           HA       ASP  22  -5.671  13.495  -5.980
  152   1HB   ASP  22          HB2       ASP  22  -4.690  12.151  -8.506
  153   2HB   ASP  22          HB3       ASP  22  -6.030  13.290  -8.424
  154    H    THR  23           HN       THR  23  -7.062  12.305  -4.703
  155    HA   THR  23           HA       THR  23  -7.942   9.683  -5.595
  156    HB   THR  23           HB       THR  23  -9.440   9.809  -3.565
  157    HG1  THR  23           HG1      THR  23  -8.871  12.334  -3.651
  158   1HG2  THR  23          HG21      THR  23  -7.601   9.500  -1.955
  159   2HG2  THR  23          HG22      THR  23  -6.473  10.174  -3.132
  160   3HG2  THR  23          HG23      THR  23  -7.299   8.653  -3.472
  161    H    PHE  24           HN       PHE  24  -8.846  12.940  -5.971
  162    HA   PHE  24           HA       PHE  24 -10.591  13.987  -6.979
  163   1HB   PHE  24          HB2       PHE  24 -11.139  11.217  -8.066
  164   2HB   PHE  24          HB3       PHE  24 -11.886  12.698  -8.655
  165    HD1  PHE  24           HD1      PHE  24  -8.879  10.652  -8.621
  166    HD2  PHE  24           HD2      PHE  24 -10.579  14.336  -9.909
  167    HE1  PHE  24           HE1      PHE  24  -7.009  10.962 -10.190
  168    HE2  PHE  24           HE2      PHE  24  -8.712  14.652 -11.481
  169    HZ   PHE  24           HZ       PHE  24  -6.924  12.964 -11.622
  170    H    HIS  25           HN       HIS  25 -10.915  12.476  -4.340
  171    HA   HIS  25           HA       HIS  25 -13.654  13.158  -3.936
  172   1HB   HIS  25          HB2       HIS  25 -13.882  10.935  -5.054
  173   2HB   HIS  25          HB3       HIS  25 -12.963  10.219  -3.735
  174    HD1  HIS  25           HD1      HIS  25 -16.342  11.304  -4.692
  175    HD2  HIS  25           HD2      HIS  25 -14.344  10.240  -1.208
  176    HE1  HIS  25           HE1      HIS  25 -18.143  10.872  -2.990
  177    HE2  HIS  25           HE2      HIS  25 -16.907  10.312  -0.867
  178    H    GLY  26           HN       GLY  26 -10.777  11.491  -2.779
  179   1HA   GLY  26          HA1       GLY  26 -11.523  11.662  -0.006
  180   2HA   GLY  26          HA2       GLY  26  -9.956  11.180  -0.638
  181    H    TYR  27           HN       TYR  27  -8.551  12.402   0.466
  182    HA   TYR  27           HA       TYR  27  -9.091  15.258   0.794
  183   1HB   TYR  27          HB2       TYR  27  -8.380  13.820   2.744
  184   2HB   TYR  27          HB3       TYR  27  -6.809  13.662   1.964
  185    HD1  TYR  27           HD1      TYR  27  -9.177  16.449   2.777
  186    HD2  TYR  27           HD2      TYR  27  -5.171  15.019   2.835
  187    HE1  TYR  27           HE1      TYR  27  -8.452  18.543   3.843
  188    HE2  TYR  27           HE2      TYR  27  -4.436  17.109   3.901
  189    HH   TYR  27           HH       TYR  27  -5.192  19.440   4.100
  190    HA   PRO  28           HA       PRO  28  -6.448  15.905  -2.806
  191   1HB   PRO  28          HB2       PRO  28  -6.758  18.744  -2.052
  192   2HB   PRO  28          HB3       PRO  28  -7.148  17.935  -3.573
  193   1HG   PRO  28          HG2       PRO  28  -9.073  18.755  -1.909
  194   2HG   PRO  28          HG3       PRO  28  -9.227  17.244  -2.826
  195   1HD   PRO  28          HD2       PRO  28  -8.492  17.650   0.051
  196   2HD   PRO  28          HD3       PRO  28  -9.559  16.431  -0.678
  197    H    GLY  29           HN       GLY  29  -5.801  16.471   0.434
  198   1HA   GLY  29          HA1       GLY  29  -3.499  18.090   0.333
  199   2HA   GLY  29          HA2       GLY  29  -3.889  16.950   1.610
  200    H    ILE  30           HN       ILE  30  -3.977  14.759  -0.478
  201    HA   ILE  30           HA       ILE  30  -1.380  13.780  -0.100
  202    HB   ILE  30           HB       ILE  30  -3.404  12.399  -0.605
  203   1HG1  ILE  30          HG12      ILE  30  -2.163  10.787  -2.129
  204   2HG1  ILE  30          HG13      ILE  30  -0.893  12.002  -2.235
  205   1HG2  ILE  30          HG21      ILE  30  -4.031  12.039  -2.942
  206   2HG2  ILE  30          HG22      ILE  30  -4.298  13.709  -2.445
  207   3HG2  ILE  30          HG23      ILE  30  -2.900  13.298  -3.437
  208   1HD1  ILE  30          HD11      ILE  30  -0.575  10.144  -0.543
  209   2HD1  ILE  30          HD12      ILE  30  -0.364  11.795   0.040
  210   3HD1  ILE  30          HD13      ILE  30  -1.853  10.920   0.391
  211    H    THR  31           HN       THR  31   0.435  13.727  -1.372
  212    HA   THR  31           HA       THR  31   0.419  14.878  -4.034
  213    HB   THR  31           HB       THR  31   2.186  16.136  -1.927
  214    HG1  THR  31           HG1      THR  31   0.270  16.987  -1.401
  215   1HG2  THR  31          HG21      THR  31   3.115  16.315  -4.142
  216   2HG2  THR  31          HG22      THR  31   2.458  17.886  -3.686
  217   3HG2  THR  31          HG23      THR  31   1.566  16.847  -4.796
  218    H    GLU  32           HN       GLU  32   2.493  14.595  -5.138
  219    HA   GLU  32           HA       GLU  32   3.608  12.083  -4.779
  220   1HB   GLU  32          HB2       GLU  32   4.793  14.497  -6.157
  221   2HB   GLU  32          HB3       GLU  32   5.409  12.857  -6.313
  222   1HG   GLU  32          HG2       GLU  32   3.301  12.144  -7.296
  223   2HG   GLU  32          HG3       GLU  32   2.658  13.777  -7.118
  224    H    GLU  33           HN       GLU  33   4.735  15.212  -3.578
  225    HA   GLU  33           HA       GLU  33   7.069  14.001  -2.344
  226   1HB   GLU  33          HB2       GLU  33   7.167  16.283  -3.327
  227   2HB   GLU  33          HB3       GLU  33   6.016  16.829  -2.115
  228   1HG   GLU  33          HG2       GLU  33   7.663  16.130  -0.366
  229   2HG   GLU  33          HG3       GLU  33   8.819  15.841  -1.664
  230    H    LEU  34           HN       LEU  34   3.831  14.465  -1.605
  231    HA   LEU  34           HA       LEU  34   4.148  14.761   1.250
  232   1HB   LEU  34          HB2       LEU  34   2.291  15.807  -0.013
  233   2HB   LEU  34          HB3       LEU  34   1.680  14.213  -0.397
  234    HG   LEU  34           HG       LEU  34   0.574  15.557   1.510
  235   1HD1  LEU  34          HD11      LEU  34   1.421  12.717   2.035
  236   2HD1  LEU  34          HD12      LEU  34  -0.006  13.533   2.669
  237   3HD1  LEU  34          HD13      LEU  34   0.125  13.201   0.942
  238   1HD2  LEU  34          HD21      LEU  34   2.676  16.137   2.661
  239   2HD2  LEU  34          HD22      LEU  34   1.545  15.276   3.704
  240   3HD2  LEU  34          HD23      LEU  34   2.930  14.429   3.017
  241    H    LEU  35           HN       LEU  35   3.475  12.180  -1.044
  242    HA   LEU  35           HA       LEU  35   2.509  10.232   0.692
  243   1HB   LEU  35          HB2       LEU  35   3.131   8.608  -0.950
  244   2HB   LEU  35          HB3       LEU  35   2.557  10.038  -1.780
  245    HG   LEU  35           HG       LEU  35   5.172  10.585  -1.832
  246   1HD1  LEU  35          HD11      LEU  35   5.016   7.576  -1.752
  247   2HD1  LEU  35          HD12      LEU  35   6.416   8.503  -2.297
  248   3HD1  LEU  35          HD13      LEU  35   5.876   8.622  -0.621
  249   1HD2  LEU  35          HD21      LEU  35   3.657   8.771  -3.700
  250   2HD2  LEU  35          HD22      LEU  35   3.815  10.524  -3.799
  251   3HD2  LEU  35          HD23      LEU  35   5.220   9.496  -4.076
  252    H    ARG  36           HN       ARG  36   5.793  11.258   0.031
  253    HA   ARG  36           HA       ARG  36   7.083   9.154   1.427
  254   1HB   ARG  36          HB2       ARG  36   8.430  10.290  -0.112
  255   2HB   ARG  36          HB3       ARG  36   7.921  11.871   0.467
  256   1HG   ARG  36          HG2       ARG  36   9.174  11.476   2.553
  257   2HG   ARG  36          HG3       ARG  36   9.734   9.935   1.893
  258   1HD   ARG  36          HD2       ARG  36  11.040  10.962   0.273
  259   2HD   ARG  36          HD3       ARG  36  10.148  12.476   0.370
  260    HE   ARG  36           HE       ARG  36  11.597  11.755   2.766
  261   1HH1  ARG  36          HH12      ARG  36  11.678  13.462  -0.272
  262   2HH1  ARG  36          HH11      ARG  36  12.961  14.520   0.210
  263   1HH2  ARG  36          HH22      ARG  36  13.283  13.146   3.409
  264   2HH2  ARG  36          HH21      ARG  36  13.871  14.343   2.303
  265    H    SER  37           HN       SER  37   6.754  12.586   2.316
  266    HA   SER  37           HA       SER  37   7.602  12.332   4.948
  267   1HB   SER  37          HB2       SER  37   7.415  14.503   3.875
  268   2HB   SER  37          HB3       SER  37   5.664  14.324   3.750
  269    HG   SER  37           HG       SER  37   7.252  14.791   6.022
  270    H    GLN  38           HN       GLN  38   4.630  11.380   3.512
  271    HA   GLN  38           HA       GLN  38   2.884  11.602   5.682
  272   1HB   GLN  38          HB2       GLN  38   2.819  10.521   3.072
  273   2HB   GLN  38          HB3       GLN  38   2.276   9.254   4.159
  274   1HG   GLN  38          HG2       GLN  38   1.144  12.037   4.018
  275   2HG   GLN  38          HG3       GLN  38   0.422  10.594   3.308
  276   1HE2  GLN  38          HE21      GLN  38  -0.584   9.104   4.623
  277   2HE2  GLN  38          HE22      GLN  38  -0.968   9.422   6.277
  278    H    LEU  39           HN       LEU  39   4.951   8.839   4.717
  279    HA   LEU  39           HA       LEU  39   4.714   7.891   7.486
  280   1HB   LEU  39          HB2       LEU  39   5.034   5.563   6.024
  281   2HB   LEU  39          HB3       LEU  39   3.581   6.103   6.838
  282    HG   LEU  39           HG       LEU  39   4.098   7.013   4.036
  283   1HD1  LEU  39          HD11      LEU  39   2.846   4.369   4.761
  284   2HD1  LEU  39          HD12      LEU  39   3.064   5.038   3.144
  285   3HD1  LEU  39          HD13      LEU  39   4.469   4.559   4.095
  286   1HD2  LEU  39          HD21      LEU  39   1.711   7.122   3.931
  287   2HD2  LEU  39          HD22      LEU  39   1.550   6.259   5.461
  288   3HD2  LEU  39          HD23      LEU  39   2.215   7.892   5.437
  289    H    TYR  40           HN       TYR  40   6.588   7.572   4.457
  290    HA   TYR  40           HA       TYR  40   8.929   6.899   6.109
  291   1HB   TYR  40          HB2       TYR  40   9.890   6.350   3.710
  292   2HB   TYR  40          HB3       TYR  40   8.891   5.198   4.580
  293    HD1  TYR  40           HD1      TYR  40   6.537   4.848   3.905
  294    HD2  TYR  40           HD2      TYR  40   9.150   7.356   1.679
  295    HE1  TYR  40           HE1      TYR  40   5.007   4.732   1.987
  296    HE2  TYR  40           HE2      TYR  40   7.624   7.248  -0.245
  297    HH   TYR  40           HH       TYR  40   5.873   5.766  -1.121
  298    HA   PRO  41           HA       PRO  41   9.996  11.139   4.760
  299   1HB   PRO  41          HB2       PRO  41  11.126  11.957   7.045
  300   2HB   PRO  41          HB3       PRO  41   9.368  11.893   6.863
  301   1HG   PRO  41          HG2       PRO  41  11.206   9.962   8.223
  302   2HG   PRO  41          HG3       PRO  41   9.624  10.562   8.751
  303   1HD   PRO  41          HD2       PRO  41  10.024   8.133   7.528
  304   2HD   PRO  41          HD3       PRO  41   8.490   9.025   7.493
  305    H    GLU  42           HN       GLU  42  11.615   8.357   5.158
  306    HA   GLU  42           HA       GLU  42  14.295   9.537   5.102
  307   1HB   GLU  42          HB2       GLU  42  15.068   7.162   5.320
  308   2HB   GLU  42          HB3       GLU  42  14.116   7.753   6.675
  309   1HG   GLU  42          HG2       GLU  42  12.143   6.607   5.767
  310   2HG   GLU  42          HG3       GLU  42  13.133   5.981   4.449
  311    H    VAL  43           HN       VAL  43  12.308   7.212   3.259
  312    HA   VAL  43           HA       VAL  43  14.189   7.195   1.081
  313    HB   VAL  43           HB       VAL  43  12.025   5.549   1.902
  314   1HG1  VAL  43          HG11      VAL  43  10.568   6.760   0.384
  315   2HG1  VAL  43          HG12      VAL  43  11.713   6.519  -0.938
  316   3HG1  VAL  43          HG13      VAL  43  10.879   5.135  -0.228
  317   1HG2  VAL  43          HG21      VAL  43  13.913   5.299  -0.433
  318   2HG2  VAL  43          HG22      VAL  43  14.244   4.802   1.227
  319   3HG2  VAL  43          HG23      VAL  43  12.988   3.985   0.297
  320    HA   PRO  44           HA       PRO  44  12.737  10.907  -0.887
  321   1HB   PRO  44          HB2       PRO  44  13.623   9.555  -3.379
  322   2HB   PRO  44          HB3       PRO  44  14.071  11.138  -2.736
  323   1HG   PRO  44          HG2       PRO  44  15.769   9.091  -2.618
  324   2HG   PRO  44          HG3       PRO  44  15.643  10.251  -1.283
  325   1HD   PRO  44          HD2       PRO  44  14.549   7.477  -1.498
  326   2HD   PRO  44          HD3       PRO  44  15.259   8.305  -0.098
  327    HA   PRO  45           HA       PRO  45   8.780   9.872  -2.589
  328   1HB   PRO  45          HB2       PRO  45   8.783  12.372  -4.107
  329   2HB   PRO  45          HB3       PRO  45   7.791  11.912  -2.721
  330   1HG   PRO  45          HG2       PRO  45   9.714  13.790  -2.539
  331   2HG   PRO  45          HG3       PRO  45   9.332  12.702  -1.190
  332   1HD   PRO  45          HD2       PRO  45  11.560  12.517  -3.195
  333   2HD   PRO  45          HD3       PRO  45  11.621  12.303  -1.431
  334    H    GLU  46           HN       GLU  46  11.462   9.586  -4.280
  335    HA   GLU  46           HA       GLU  46  10.051   8.973  -6.782
  336   1HB   GLU  46          HB2       GLU  46  11.247  11.062  -7.148
  337   2HB   GLU  46          HB3       GLU  46  12.734  10.346  -6.540
  338   1HG   GLU  46          HG2       GLU  46  12.791  10.460  -8.945
  339   2HG   GLU  46          HG3       GLU  46  12.736   8.777  -8.424
  340    H    GLU  47           HN       GLU  47  12.742   8.354  -4.618
  341    HA   GLU  47           HA       GLU  47  13.645   6.046  -6.104
  342   1HB   GLU  47          HB2       GLU  47  14.465   7.293  -3.489
  343   2HB   GLU  47          HB3       GLU  47  15.123   5.753  -4.027
  344   1HG   GLU  47          HG2       GLU  47  15.973   6.830  -6.054
  345   2HG   GLU  47          HG3       GLU  47  15.320   8.372  -5.504
  346    H    PHE  48           HN       PHE  48  10.929   6.409  -4.561
  347    HA   PHE  48           HA       PHE  48  10.960   4.188  -2.733
  348   1HB   PHE  48          HB2       PHE  48   8.617   4.643  -2.406
  349   2HB   PHE  48          HB3       PHE  48   9.484   6.174  -2.431
  350    HD1  PHE  48           HD1      PHE  48   9.591   7.342  -4.789
  351    HD2  PHE  48           HD2      PHE  48   6.706   4.431  -3.654
  352    HE1  PHE  48           HE1      PHE  48   8.078   8.163  -6.544
  353    HE2  PHE  48           HE2      PHE  48   5.187   5.246  -5.408
  354    HZ   PHE  48           HZ       PHE  48   5.873   7.114  -6.858
  355    H    ARG  49           HN       ARG  49  10.347   4.650  -6.093
  356    HA   ARG  49           HA       ARG  49   8.631   2.537  -6.666
  357   1HB   ARG  49          HB2       ARG  49  10.825   3.721  -8.349
  358   2HB   ARG  49          HB3       ARG  49   9.587   2.633  -8.956
  359   1HG   ARG  49          HG2       ARG  49   8.943   5.237  -7.609
  360   2HG   ARG  49          HG3       ARG  49   9.201   5.093  -9.350
  361   1HD   ARG  49          HD2       ARG  49   7.395   3.404  -9.433
  362   2HD   ARG  49          HD3       ARG  49   7.107   3.665  -7.713
  363    HE   ARG  49           HE       ARG  49   6.963   6.135  -9.020
  364   1HH1  ARG  49          HH12      ARG  49   5.217   3.122  -8.842
  365   2HH1  ARG  49          HH11      ARG  49   3.684   3.842  -9.206
  366   1HH2  ARG  49          HH22      ARG  49   4.953   7.087  -9.500
  367   2HH2  ARG  49          HH21      ARG  49   3.534   6.095  -9.582
  368    HA   PRO  50           HA       PRO  50  12.662  -0.178  -7.575
  369   1HB   PRO  50          HB2       PRO  50  14.533   0.350  -5.555
  370   2HB   PRO  50          HB3       PRO  50  14.691   0.779  -7.260
  371   1HG   PRO  50          HG2       PRO  50  13.808   2.447  -4.956
  372   2HG   PRO  50          HG3       PRO  50  14.754   2.909  -6.383
  373   1HD   PRO  50          HD2       PRO  50  12.174   3.574  -6.157
  374   2HD   PRO  50          HD3       PRO  50  12.862   3.099  -7.725
  375    H    PHE  51           HN       PHE  51  11.612   0.965  -4.421
  376    HA   PHE  51           HA       PHE  51  11.704  -1.763  -3.376
  377   1HB   PHE  51          HB2       PHE  51  12.028   0.814  -2.208
  378   2HB   PHE  51          HB3       PHE  51  10.607   0.070  -1.480
  379    HD1  PHE  51           HD1      PHE  51  10.923  -2.421  -0.720
  380    HD2  PHE  51           HD2      PHE  51  14.102   0.345  -1.332
  381    HE1  PHE  51           HE1      PHE  51  12.379  -3.773   0.734
  382    HE2  PHE  51           HE2      PHE  51  15.560  -1.002   0.120
  383    HZ   PHE  51           HZ       PHE  51  14.699  -3.065   1.154
  384    H    LEU  52           HN       LEU  52   9.571   0.478  -4.782
  385    HA   LEU  52           HA       LEU  52   7.185  -0.702  -3.619
  386   1HB   LEU  52          HB2       LEU  52   7.555   1.787  -4.232
  387   2HB   LEU  52          HB3       LEU  52   7.209   1.274  -5.871
  388    HG   LEU  52           HG       LEU  52   5.027   0.343  -5.016
  389   1HD1  LEU  52          HD11      LEU  52   5.731   0.250  -2.638
  390   2HD1  LEU  52          HD12      LEU  52   5.677   2.011  -2.592
  391   3HD1  LEU  52          HD13      LEU  52   4.202   1.091  -2.888
  392   1HD2  LEU  52          HD21      LEU  52   5.246   2.495  -6.208
  393   2HD2  LEU  52          HD22      LEU  52   3.922   2.482  -5.040
  394   3HD2  LEU  52          HD23      LEU  52   5.433   3.302  -4.653
  395    H    ALA  53           HN       ALA  53   9.261  -1.331  -6.180
  396    HA   ALA  53           HA       ALA  53   7.608  -2.096  -8.273
  397   1HB   ALA  53          HB1       ALA  53  10.162  -3.436  -7.373
  398   2HB   ALA  53          HB2       ALA  53   9.410  -3.606  -8.959
  399   3HB   ALA  53          HB3       ALA  53  10.047  -2.043  -8.450
  400    H    LYS  54           HN       LYS  54   8.278  -3.637  -5.243
  401    HA   LYS  54           HA       LYS  54   6.649  -5.962  -5.982
  402   1HB   LYS  54          HB2       LYS  54   8.439  -5.521  -3.584
  403   2HB   LYS  54          HB3       LYS  54   7.585  -7.012  -3.966
  404   1HG   LYS  54          HG2       LYS  54   8.935  -7.414  -5.861
  405   2HG   LYS  54          HG3       LYS  54   9.601  -5.781  -5.823
  406   1HD   LYS  54          HD2       LYS  54  11.259  -7.285  -4.969
  407   2HD   LYS  54          HD3       LYS  54  10.638  -6.331  -3.621
  408   1HE   LYS  54          HE2       LYS  54   9.178  -8.186  -2.983
  409   2HE   LYS  54          HE3       LYS  54   9.791  -9.137  -4.335
  410   1HZ   LYS  54          HZ1       LYS  54  11.388  -8.154  -2.031
  411   2HZ   LYS  54          HZ2       LYS  54  12.004  -9.028  -3.342
  412   3HZ   LYS  54          HZ3       LYS  54  10.895  -9.752  -2.291
  413    H    MET  55           HN       MET  55   6.400  -2.995  -4.549
  414    HA   MET  55           HA       MET  55   4.141  -3.822  -2.848
  415   1HB   MET  55          HB2       MET  55   6.183  -1.639  -2.528
  416   2HB   MET  55          HB3       MET  55   4.624  -1.543  -1.719
  417   1HG   MET  55          HG2       MET  55   5.081  -3.319  -0.328
  418   2HG   MET  55          HG3       MET  55   6.296  -3.997  -1.408
  419   1HE   MET  55          HE1       MET  55   6.923  -3.993   1.553
  420   2HE   MET  55          HE2       MET  55   8.187  -4.372   0.382
  421   3HE   MET  55          HE3       MET  55   8.505  -3.222   1.681
  422    H    ARG  56           HN       ARG  56   4.323  -3.010  -5.784
  423    HA   ARG  56           HA       ARG  56   2.508  -0.692  -5.670
  424   1HB   ARG  56          HB2       ARG  56   3.151  -0.180  -7.945
  425   2HB   ARG  56          HB3       ARG  56   4.593  -0.331  -6.951
  426   1HG   ARG  56          HG2       ARG  56   4.955  -2.587  -7.819
  427   2HG   ARG  56          HG3       ARG  56   3.513  -2.426  -8.826
  428   1HD   ARG  56          HD2       ARG  56   4.554  -0.492  -9.950
  429   2HD   ARG  56          HD3       ARG  56   6.006  -0.734  -8.979
  430    HE   ARG  56           HE       ARG  56   5.448  -3.133 -10.281
  431   1HH1  ARG  56          HH12      ARG  56   6.366   0.131 -11.083
  432   2HH1  ARG  56          HH11      ARG  56   7.220  -0.326 -12.518
  433   1HH2  ARG  56          HH22      ARG  56   6.567  -3.741 -12.171
  434   2HH2  ARG  56          HH21      ARG  56   7.332  -2.526 -13.138
  435    H    GLY  57           HN       GLY  57   2.749  -4.015  -6.449
  436   1HA   GLY  57          HA1       GLY  57   0.766  -4.259  -8.426
  437   2HA   GLY  57          HA2       GLY  57   1.237  -5.522  -7.296
  438    H    ILE  58           HN       ILE  58   0.489  -3.376  -5.158
  439    HA   ILE  58           HA       ILE  58  -2.311  -4.214  -5.005
  440    HB   ILE  58           HB       ILE  58  -0.509  -3.033  -2.885
  441   1HG1  ILE  58          HG12      ILE  58  -0.986  -5.417  -1.911
  442   2HG1  ILE  58          HG13      ILE  58  -1.357  -5.828  -3.578
  443   1HG2  ILE  58          HG21      ILE  58  -3.327  -4.085  -2.658
  444   2HG2  ILE  58          HG22      ILE  58  -2.308  -3.574  -1.312
  445   3HG2  ILE  58          HG23      ILE  58  -2.830  -2.399  -2.518
  446   1HD1  ILE  58          HD11      ILE  58   0.873  -5.170  -4.259
  447   2HD1  ILE  58          HD12      ILE  58   1.250  -4.681  -2.607
  448   3HD1  ILE  58          HD13      ILE  58   0.944  -6.377  -2.976
  449    H    LEU  59           HN       LEU  59  -0.286  -1.395  -5.299
  450    HA   LEU  59           HA       LEU  59  -2.080   0.601  -4.528
  451   1HB   LEU  59          HB2       LEU  59   0.294   1.012  -4.928
  452   2HB   LEU  59          HB3       LEU  59   0.082   0.684  -6.634
  453    HG   LEU  59           HG       LEU  59   0.249   3.143  -5.780
  454   1HD1  LEU  59          HD11      LEU  59  -1.869   2.292  -7.748
  455   2HD1  LEU  59          HD12      LEU  59  -1.143   3.895  -7.635
  456   3HD1  LEU  59          HD13      LEU  59  -0.152   2.509  -8.091
  457   1HD2  LEU  59          HD21      LEU  59  -1.861   4.187  -5.255
  458   2HD2  LEU  59          HD22      LEU  59  -2.699   2.640  -5.385
  459   3HD2  LEU  59          HD23      LEU  59  -1.534   2.907  -4.087
  460    H    LYS  60           HN       LYS  60  -1.367  -0.513  -7.843
  461    HA   LYS  60           HA       LYS  60  -3.435   0.926  -9.075
  462   1HB   LYS  60          HB2       LYS  60  -3.095  -0.601 -10.987
  463   2HB   LYS  60          HB3       LYS  60  -1.585   0.041 -10.361
  464   1HG   LYS  60          HG2       LYS  60  -0.974  -2.126 -10.592
  465   2HG   LYS  60          HG3       LYS  60  -1.647  -2.214  -8.964
  466   1HD   LYS  60          HD2       LYS  60  -3.779  -2.982  -9.884
  467   2HD   LYS  60          HD3       LYS  60  -3.118  -2.876 -11.515
  468   1HE   LYS  60          HE2       LYS  60  -1.445  -4.567 -10.950
  469   2HE   LYS  60          HE3       LYS  60  -2.092  -4.664  -9.313
  470   1HZ   LYS  60          HZ1       LYS  60  -4.204  -5.415 -10.248
  471   2HZ   LYS  60          HZ2       LYS  60  -2.939  -6.455 -10.672
  472   3HZ   LYS  60          HZ3       LYS  60  -3.548  -5.359 -11.807
  473    H    SER  61           HN       SER  61  -3.540  -1.855  -7.122
  474    HA   SER  61           HA       SER  61  -5.970  -2.939  -8.240
  475   1HB   SER  61          HB2       SER  61  -4.479  -3.612  -5.693
  476   2HB   SER  61          HB3       SER  61  -5.851  -4.518  -6.333
  477    HG   SER  61           HG       SER  61  -4.165  -5.576  -7.162
  478    H    ILE  62           HN       ILE  62  -5.059  -1.057  -5.380
  479    HA   ILE  62           HA       ILE  62  -7.778  -1.026  -4.394
  480    HB   ILE  62           HB       ILE  62  -5.353   0.473  -3.402
  481   1HG1  ILE  62          HG12      ILE  62  -6.647  -2.070  -2.389
  482   2HG1  ILE  62          HG13      ILE  62  -5.130  -1.986  -3.279
  483   1HG2  ILE  62          HG21      ILE  62  -6.669   0.776  -1.341
  484   2HG2  ILE  62          HG22      ILE  62  -7.412   1.567  -2.730
  485   3HG2  ILE  62          HG23      ILE  62  -8.059   0.037  -2.137
  486   1HD1  ILE  62          HD11      ILE  62  -5.660  -0.790  -0.569
  487   2HD1  ILE  62          HD12      ILE  62  -4.738  -2.255  -0.904
  488   3HD1  ILE  62          HD13      ILE  62  -4.142  -0.693  -1.461
  489    H    ALA  63           HN       ALA  63  -5.501   1.403  -5.664
  490    HA   ALA  63           HA       ALA  63  -7.548   3.441  -5.651
  491   1HB   ALA  63          HB1       ALA  63  -5.265   4.024  -5.073
  492   2HB   ALA  63          HB2       ALA  63  -4.719   3.533  -6.677
  493   3HB   ALA  63          HB3       ALA  63  -5.799   4.916  -6.498
  494    H    SER  64           HN       SER  64  -5.451   2.151  -8.244
  495    HA   SER  64           HA       SER  64  -6.972   3.343 -10.313
  496   1HB   SER  64          HB2       SER  64  -4.617   2.814 -10.614
  497   2HB   SER  64          HB3       SER  64  -4.958   1.094 -10.437
  498    HG   SER  64           HG       SER  64  -4.786   1.873 -12.646
  499    H    ALA  65           HN       ALA  65  -7.238   0.231  -8.721
  500    HA   ALA  65           HA       ALA  65  -9.213  -0.578 -10.747
  501   1HB   ALA  65          HB1       ALA  65  -8.901  -2.866  -9.958
  502   2HB   ALA  65          HB2       ALA  65  -7.378  -2.144 -10.476
  503   3HB   ALA  65          HB3       ALA  65  -7.743  -2.295  -8.758
  504    H    ASP  66           HN       ASP  66  -8.745  -0.205  -7.261
  505    HA   ASP  66           HA       ASP  66 -10.213  -0.145  -5.520
  506   1HB   ASP  66          HB2       ASP  66 -11.154   1.739  -6.799
  507   2HB   ASP  66          HB3       ASP  66 -12.188   0.620  -7.685
  508    H    MET  67           HN       MET  67 -10.181  -2.299  -4.962
  509    HA   MET  67           HA       MET  67 -12.068  -4.114  -6.249
  510   1HB   MET  67          HB2       MET  67  -9.936  -4.610  -4.171
  511   2HB   MET  67          HB3       MET  67 -10.940  -5.852  -4.901
  512   1HG   MET  67          HG2       MET  67  -9.126  -4.054  -6.482
  513   2HG   MET  67          HG3       MET  67  -8.633  -5.622  -5.848
  514   1HE   MET  67          HE1       MET  67 -11.658  -4.019  -7.987
  515   2HE   MET  67          HE2       MET  67 -10.070  -3.694  -8.680
  516   3HE   MET  67          HE3       MET  67 -11.194  -4.766  -9.516
  517    H    ASP  68           HN       ASP  68 -12.655  -5.868  -4.234
  518    HA   ASP  68           HA       ASP  68 -14.276  -4.223  -2.407
  519   1HB   ASP  68          HB2       ASP  68 -14.951  -6.877  -3.685
  520   2HB   ASP  68          HB3       ASP  68 -15.922  -6.102  -2.437
  521    H    PHE  69           HN       PHE  69 -13.686  -7.734  -2.456
  522    HA   PHE  69           HA       PHE  69 -12.165  -7.519   0.025
  523   1HB   PHE  69          HB2       PHE  69 -14.566  -7.668   0.666
  524   2HB   PHE  69          HB3       PHE  69 -14.661  -9.216  -0.163
  525    HD1  PHE  69           HD1      PHE  69 -13.610 -11.194   0.768
  526    HD2  PHE  69           HD2      PHE  69 -13.418  -7.444   2.770
  527    HE1  PHE  69           HE1      PHE  69 -12.892 -12.335   2.827
  528    HE2  PHE  69           HE2      PHE  69 -12.699  -8.577   4.831
  529    HZ   PHE  69           HZ       PHE  69 -12.433 -11.024   4.863
  530    H    ASN  70           HN       ASN  70 -13.854 -10.247  -1.515
  531    HA   ASN  70           HA       ASN  70 -11.790 -12.080  -1.206
  532   1HB   ASN  70          HB2       ASN  70 -12.968 -13.449  -2.871
  533   2HB   ASN  70          HB3       ASN  70 -14.091 -12.736  -1.716
  534   1HD2  ASN  70          HD21      ASN  70 -12.963 -12.740  -4.995
  535   2HD2  ASN  70          HD22      ASN  70 -14.253 -11.799  -5.656
  536    H    GLN  71           HN       GLN  71 -12.150  -9.566  -3.523
  537    HA   GLN  71           HA       GLN  71 -10.593 -10.586  -5.627
  538   1HB   GLN  71          HB2       GLN  71 -11.138  -7.765  -4.725
  539   2HB   GLN  71          HB3       GLN  71 -10.265  -8.148  -6.200
  540   1HG   GLN  71          HG2       GLN  71 -13.082  -9.005  -5.579
  541   2HG   GLN  71          HG3       GLN  71 -12.635  -7.630  -6.587
  542   1HE2  GLN  71          HE21      GLN  71 -14.167 -10.002  -7.273
  543   2HE2  GLN  71          HE22      GLN  71 -13.333 -10.759  -8.582
  544    H    LEU  72           HN       LEU  72  -9.568  -8.035  -3.343
  545    HA   LEU  72           HA       LEU  72  -6.846  -8.225  -3.928
  546   1HB   LEU  72          HB2       LEU  72  -8.218  -7.274  -1.413
  547   2HB   LEU  72          HB3       LEU  72  -6.508  -7.084  -1.726
  548    HG   LEU  72           HG       LEU  72  -8.747  -5.844  -3.316
  549   1HD1  LEU  72          HD11      LEU  72  -6.666  -4.485  -1.625
  550   2HD1  LEU  72          HD12      LEU  72  -8.128  -3.793  -2.328
  551   3HD1  LEU  72          HD13      LEU  72  -8.251  -4.955  -1.006
  552   1HD2  LEU  72          HD21      LEU  72  -5.755  -5.589  -3.622
  553   2HD2  LEU  72          HD22      LEU  72  -6.853  -6.383  -4.751
  554   3HD2  LEU  72          HD23      LEU  72  -6.961  -4.642  -4.493
  555    H    GLU  73           HN       GLU  73  -8.822 -10.024  -1.668
  556    HA   GLU  73           HA       GLU  73  -6.858 -11.130  -0.039
  557   1HB   GLU  73          HB2       GLU  73  -9.294 -11.330   0.348
  558   2HB   GLU  73          HB3       GLU  73  -9.399 -12.458  -0.996
  559   1HG   GLU  73          HG2       GLU  73  -9.390 -13.673   1.071
  560   2HG   GLU  73          HG3       GLU  73  -7.889 -13.987   0.201
  561    H    ALA  74           HN       ALA  74  -7.843 -11.990  -3.288
  562    HA   ALA  74           HA       ALA  74  -6.319 -14.447  -3.303
  563   1HB   ALA  74          HB1       ALA  74  -7.707 -13.012  -5.564
  564   2HB   ALA  74          HB2       ALA  74  -7.045 -14.646  -5.621
  565   3HB   ALA  74          HB3       ALA  74  -8.408 -14.283  -4.561
  566    H    PHE  75           HN       PHE  75  -5.692 -11.142  -3.926
  567    HA   PHE  75           HA       PHE  75  -3.495 -11.649  -5.746
  568   1HB   PHE  75          HB2       PHE  75  -4.863  -9.645  -6.061
  569   2HB   PHE  75          HB3       PHE  75  -4.409  -9.074  -4.457
  570    HD1  PHE  75           HD1      PHE  75  -2.263  -8.100  -4.046
  571    HD2  PHE  75           HD2      PHE  75  -3.238  -9.673  -7.878
  572    HE1  PHE  75           HE1      PHE  75  -0.284  -6.990  -5.004
  573    HE2  PHE  75           HE2      PHE  75  -1.264  -8.567  -8.842
  574    HZ   PHE  75           HZ       PHE  75   0.217  -7.223  -7.404
  575    H    LEU  76           HN       LEU  76  -3.929 -10.566  -2.414
  576    HA   LEU  76           HA       LEU  76  -1.248 -10.048  -1.819
  577   1HB   LEU  76          HB2       LEU  76  -3.560  -9.726  -0.511
  578   2HB   LEU  76          HB3       LEU  76  -2.982 -11.161   0.312
  579    HG   LEU  76           HG       LEU  76  -2.437  -8.980   1.434
  580   1HD1  LEU  76          HD11      LEU  76  -1.198 -11.078   1.860
  581   2HD1  LEU  76          HD12      LEU  76  -0.037 -10.604   0.621
  582   3HD1  LEU  76          HD13      LEU  76  -0.219  -9.628   2.077
  583   1HD2  LEU  76          HD21      LEU  76  -0.600  -7.657   0.550
  584   2HD2  LEU  76          HD22      LEU  76  -0.532  -8.679  -0.882
  585   3HD2  LEU  76          HD23      LEU  76  -1.952  -7.680  -0.579
  586    H    THR  77           HN       THR  77  -2.851 -12.995  -2.357
  587    HA   THR  77           HA       THR  77  -1.007 -14.623  -0.820
  588    HB   THR  77           HB       THR  77  -3.072 -15.530  -2.838
  589    HG1  THR  77           HG1      THR  77  -4.398 -15.840  -0.982
  590   1HG2  THR  77          HG21      THR  77  -2.939 -17.664  -1.652
  591   2HG2  THR  77          HG22      THR  77  -1.716 -16.997  -0.572
  592   3HG2  THR  77          HG23      THR  77  -1.359 -17.203  -2.286
  593    H    ALA  78           HN       ALA  78  -1.351 -13.340  -3.979
  594    HA   ALA  78           HA       ALA  78   0.427 -15.187  -5.291
  595   1HB   ALA  78          HB1       ALA  78   0.196 -13.692  -7.209
  596   2HB   ALA  78          HB2       ALA  78  -1.380 -14.081  -6.517
  597   3HB   ALA  78          HB3       ALA  78  -0.637 -12.513  -6.193
  598    H    GLN  79           HN       GLN  79   0.606 -11.982  -3.862
  599    HA   GLN  79           HA       GLN  79   3.237 -11.420  -4.788
  600   1HB   GLN  79          HB2       GLN  79   3.140  -9.566  -3.098
  601   2HB   GLN  79          HB3       GLN  79   1.843  -9.573  -4.283
  602   1HG   GLN  79          HG2       GLN  79   0.447  -9.396  -2.603
  603   2HG   GLN  79          HG3       GLN  79   0.830 -11.070  -2.217
  604   1HE2  GLN  79          HE21      GLN  79   1.507  -7.722  -1.461
  605   2HE2  GLN  79          HE22      GLN  79   2.219  -8.013   0.084
  606    H    THR  80           HN       THR  80   2.338 -13.781  -2.845
  607    HA   THR  80           HA       THR  80   4.735 -13.580  -1.138
  608    HB   THR  80           HB       THR  80   3.603 -15.068   0.475
  609    HG1  THR  80           HG1      THR  80   1.127 -14.998  -0.005
  610   1HG2  THR  80          HG21      THR  80   2.093 -13.444   1.422
  611   2HG2  THR  80          HG22      THR  80   1.922 -12.638  -0.137
  612   3HG2  THR  80          HG23      THR  80   3.467 -12.596   0.712
  613    H    LYS  81           HN       LYS  81   3.343 -15.104  -3.731
  614    HA   LYS  81           HA       LYS  81   4.966 -17.531  -3.333
  615   1HB   LYS  81          HB2       LYS  81   2.311 -17.195  -4.724
  616   2HB   LYS  81          HB3       LYS  81   3.318 -18.623  -4.920
  617   1HG   LYS  81          HG2       LYS  81   3.099 -19.193  -2.626
  618   2HG   LYS  81          HG3       LYS  81   2.343 -17.645  -2.250
  619   1HD   LYS  81          HD2       LYS  81   0.381 -18.228  -3.495
  620   2HD   LYS  81          HD3       LYS  81   1.153 -19.688  -4.121
  621   1HE   LYS  81          HE2       LYS  81  -0.442 -20.131  -2.276
  622   2HE   LYS  81          HE3       LYS  81   1.201 -20.667  -1.926
  623   1HZ   LYS  81          HZ1       LYS  81   1.539 -18.666  -0.618
  624   2HZ   LYS  81          HZ2       LYS  81   0.214 -19.540  -0.033
  625   3HZ   LYS  81          HZ3       LYS  81  -0.035 -18.146  -0.957
  626    H    LYS  82           HN       LYS  82   4.592 -14.726  -5.126
  627    HA   LYS  82           HA       LYS  82   5.282 -15.574  -7.722
  628   1HB   LYS  82          HB2       LYS  82   5.984 -13.227  -8.083
  629   2HB   LYS  82          HB3       LYS  82   4.390 -13.355  -7.353
  630   1HG   LYS  82          HG2       LYS  82   5.151 -12.600  -5.291
  631   2HG   LYS  82          HG3       LYS  82   6.833 -12.963  -5.680
  632   1HD   LYS  82          HD2       LYS  82   7.130 -10.895  -6.432
  633   2HD   LYS  82          HD3       LYS  82   5.832 -11.119  -7.607
  634   1HE   LYS  82          HE2       LYS  82   4.190 -10.423  -5.979
  635   2HE   LYS  82          HE3       LYS  82   5.430 -10.310  -4.732
  636   1HZ   LYS  82          HZ1       LYS  82   5.314  -8.652  -7.194
  637   2HZ   LYS  82          HZ2       LYS  82   6.481  -8.533  -5.978
  638   3HZ   LYS  82          HZ3       LYS  82   4.871  -8.140  -5.644
  639    H    GLN  83           HN       GLN  83   7.450 -14.536  -8.693
  640    HA   GLN  83           HA       GLN  83   9.563 -16.152  -7.824
  641   1HB   GLN  83          HB2       GLN  83   9.811 -13.577  -9.392
  642   2HB   GLN  83          HB3       GLN  83  10.956 -14.911  -9.367
  643   1HG   GLN  83          HG2       GLN  83   9.338 -16.351 -10.459
  644   2HG   GLN  83          HG3       GLN  83   8.147 -15.052 -10.438
  645   1HE2  GLN  83          HE21      GLN  83  11.058 -16.252 -11.893
  646   2HE2  GLN  83          HE22      GLN  83  11.082 -15.165 -13.235
  647    H    GLY  84           HN       GLY  84  10.083 -15.955  -5.689
  648   1HA   GLY  84          HA1       GLY  84  11.465 -15.070  -4.021
  649   2HA   GLY  84          HA2       GLY  84  11.565 -13.568  -4.934
  650    H    GLY  85           HN       GLY  85   9.236 -12.540  -5.177
  651   1HA   GLY  85          HA1       GLY  85   7.585 -11.370  -4.111
  652   2HA   GLY  85          HA2       GLY  85   7.278 -12.861  -3.238
  653    H    ILE  86           HN       ILE  86   6.663 -10.938  -1.746
  654    HA   ILE  86           HA       ILE  86   8.937  -9.879  -0.276
  655    HB   ILE  86           HB       ILE  86   7.261  -8.647   1.024
  656   1HG1  ILE  86          HG12      ILE  86   5.244 -10.036  -0.759
  657   2HG1  ILE  86          HG13      ILE  86   5.476 -10.361   0.956
  658   1HG2  ILE  86          HG21      ILE  86   8.125  -7.692  -1.045
  659   2HG2  ILE  86          HG22      ILE  86   6.847  -8.491  -1.961
  660   3HG2  ILE  86          HG23      ILE  86   6.442  -7.225  -0.800
  661   1HD1  ILE  86          HD11      ILE  86   4.861  -7.992   1.407
  662   2HD1  ILE  86          HD12      ILE  86   4.461  -7.829  -0.303
  663   3HD1  ILE  86          HD13      ILE  86   3.569  -8.965   0.707
  664    H    THR  87           HN       THR  87   8.563  -9.872   2.231
  665    HA   THR  87           HA       THR  87   8.618 -12.634   3.042
  666    HB   THR  87           HB       THR  87   9.226 -11.800   5.250
  667    HG1  THR  87           HG1      THR  87   8.005  -9.957   5.472
  668   1HG2  THR  87          HG21      THR  87  10.634 -10.287   3.048
  669   2HG2  THR  87          HG22      THR  87  10.986 -11.939   3.556
  670   3HG2  THR  87          HG23      THR  87  11.278 -10.595   4.660
  671    H    SER  88           HN       SER  88   7.441 -13.335   5.043
  672    HA   SER  88           HA       SER  88   4.660 -13.126   4.659
  673   1HB   SER  88          HB2       SER  88   6.195 -14.126   7.071
  674   2HB   SER  88          HB3       SER  88   4.477 -14.391   6.778
  675    HG   SER  88           HG       SER  88   5.354 -16.165   5.936
  676    H    ASP  89           HN       ASP  89   6.876 -11.534   6.883
  677    HA   ASP  89           HA       ASP  89   4.959 -10.284   8.517
  678   1HB   ASP  89          HB2       ASP  89   7.740  -9.323   7.804
  679   2HB   ASP  89          HB3       ASP  89   6.777  -8.768   9.169
  680    H    GLN  90           HN       GLN  90   6.297  -9.470   5.395
  681    HA   GLN  90           HA       GLN  90   5.276  -6.800   5.326
  682   1HB   GLN  90          HB2       GLN  90   6.407  -8.656   3.243
  683   2HB   GLN  90          HB3       GLN  90   5.760  -7.078   2.811
  684   1HG   GLN  90          HG2       GLN  90   7.366  -6.045   4.391
  685   2HG   GLN  90          HG3       GLN  90   8.050  -7.641   4.687
  686   1HE2  GLN  90          HE21      GLN  90   6.899  -6.510   1.582
  687   2HE2  GLN  90          HE22      GLN  90   8.443  -6.466   0.809
  688    H    ALA  91           HN       ALA  91   4.143  -9.950   4.287
  689    HA   ALA  91           HA       ALA  91   1.914  -8.973   2.796
  690   1HB   ALA  91          HB1       ALA  91   2.879 -11.157   2.332
  691   2HB   ALA  91          HB2       ALA  91   2.436 -11.712   3.946
  692   3HB   ALA  91          HB3       ALA  91   1.180 -11.312   2.776
  693    H    ALA  92           HN       ALA  92   2.533  -9.455   6.131
  694    HA   ALA  92           HA       ALA  92  -0.150  -9.913   6.986
  695   1HB   ALA  92          HB1       ALA  92   2.200  -8.882   8.563
  696   2HB   ALA  92          HB2       ALA  92   0.695  -9.518   9.226
  697   3HB   ALA  92          HB3       ALA  92   1.780 -10.579   8.330
  698    H    VAL  93           HN       VAL  93   1.811  -7.020   6.511
  699    HA   VAL  93           HA       VAL  93  -0.215  -5.333   7.714
  700    HB   VAL  93           HB       VAL  93   2.552  -5.041   7.155
  701   1HG1  VAL  93          HG11      VAL  93   0.860  -2.921   5.843
  702   2HG1  VAL  93          HG12      VAL  93   2.576  -2.755   6.207
  703   3HG1  VAL  93          HG13      VAL  93   2.032  -3.978   5.059
  704   1HG2  VAL  93          HG21      VAL  93   0.567  -3.172   8.432
  705   2HG2  VAL  93          HG22      VAL  93   1.444  -4.473   9.238
  706   3HG2  VAL  93          HG23      VAL  93   2.321  -3.082   8.600
  707    H    ILE  94           HN       ILE  94   0.903  -6.185   4.488
  708    HA   ILE  94           HA       ILE  94  -0.690  -4.207   3.165
  709    HB   ILE  94           HB       ILE  94   0.450  -6.731   1.960
  710   1HG1  ILE  94          HG12      ILE  94   1.728  -3.993   2.110
  711   2HG1  ILE  94          HG13      ILE  94   2.166  -5.346   3.147
  712   1HG2  ILE  94          HG21      ILE  94  -0.396  -4.093   0.766
  713   2HG2  ILE  94          HG22      ILE  94   0.435  -5.377  -0.115
  714   3HG2  ILE  94          HG23      ILE  94  -1.179  -5.659   0.541
  715   1HD1  ILE  94          HD11      ILE  94   3.760  -5.206   1.391
  716   2HD1  ILE  94          HD12      ILE  94   2.755  -6.622   1.086
  717   3HD1  ILE  94          HD13      ILE  94   2.491  -5.140   0.167
  718    H    SER  95           HN       SER  95  -1.150  -7.553   4.141
  719    HA   SER  95           HA       SER  95  -3.465  -8.128   2.666
  720   1HB   SER  95          HB2       SER  95  -2.251  -9.877   3.848
  721   2HB   SER  95          HB3       SER  95  -2.627  -9.127   5.400
  722    HG   SER  95           HG       SER  95  -4.060 -10.825   4.976
  723    H    LYS  96           HN       LYS  96  -2.957  -5.949   5.192
  724    HA   LYS  96           HA       LYS  96  -5.658  -5.932   6.214
  725   1HB   LYS  96          HB2       LYS  96  -3.708  -3.722   6.719
  726   2HB   LYS  96          HB3       LYS  96  -4.900  -4.425   7.803
  727   1HG   LYS  96          HG2       LYS  96  -2.640  -6.136   6.921
  728   2HG   LYS  96          HG3       LYS  96  -2.312  -4.859   8.089
  729   1HD   LYS  96          HD2       LYS  96  -2.781  -6.834   9.324
  730   2HD   LYS  96          HD3       LYS  96  -4.191  -5.783   9.479
  731   1HE   LYS  96          HE2       LYS  96  -4.877  -8.080   9.102
  732   2HE   LYS  96          HE3       LYS  96  -5.327  -7.073   7.727
  733   1HZ   LYS  96          HZ1       LYS  96  -2.964  -8.866   7.864
  734   2HZ   LYS  96          HZ2       LYS  96  -3.378  -7.892   6.546
  735   3HZ   LYS  96          HZ3       LYS  96  -4.388  -9.169   7.003
  736    H    PHE  97           HN       PHE  97  -4.441  -4.992   3.387
  737    HA   PHE  97           HA       PHE  97  -5.002  -2.374   2.915
  738   1HB   PHE  97          HB2       PHE  97  -5.634  -3.187   0.529
  739   2HB   PHE  97          HB3       PHE  97  -3.998  -3.396   1.132
  740    HD1  PHE  97           HD1      PHE  97  -3.716  -5.031  -0.694
  741    HD2  PHE  97           HD2      PHE  97  -6.494  -5.672   2.466
  742    HE1  PHE  97           HE1      PHE  97  -3.792  -7.427  -1.254
  743    HE2  PHE  97           HE2      PHE  97  -6.568  -8.066   1.913
  744    HZ   PHE  97           HZ       PHE  97  -5.219  -8.946   0.055
  745    H    TRP  98           HN       TRP  98  -7.443  -4.692   3.727
  746    HA   TRP  98           HA       TRP  98  -9.417  -2.653   2.944
  747   1HB   TRP  98          HB2       TRP  98 -11.087  -4.549   2.638
  748   2HB   TRP  98          HB3       TRP  98  -9.877  -4.330   1.386
  749    HD1  TRP  98           HD1      TRP  98  -8.885  -6.497   0.558
  750    HE1  TRP  98           HE1      TRP  98  -8.505  -8.858   1.505
  751    HE3  TRP  98           HE3      TRP  98 -10.673  -5.790   5.308
  752    HZ2  TRP  98           HZ2      TRP  98  -8.910 -10.240   3.926
  753    HZ3  TRP  98           HZ3      TRP  98 -10.644  -7.685   6.869
  754    HH2  TRP  98           HH2      TRP  98  -9.782  -9.867   6.190
  755    H    LYS  99           HN       LYS  99  -8.022  -3.751   5.564
  756    HA   LYS  99           HA       LYS  99 -10.529  -3.783   7.113
  757   1HB   LYS  99          HB2       LYS  99  -9.431  -5.089   8.816
  758   2HB   LYS  99          HB3       LYS  99  -9.243  -5.894   7.267
  759   1HG   LYS  99          HG2       LYS  99  -7.033  -5.839   7.420
  760   2HG   LYS  99          HG3       LYS  99  -7.034  -4.115   7.788
  761   1HD   LYS  99          HD2       LYS  99  -7.612  -6.282   9.803
  762   2HD   LYS  99          HD3       LYS  99  -6.029  -5.540   9.572
  763   1HE   LYS  99          HE2       LYS  99  -6.996  -3.346  10.107
  764   2HE   LYS  99          HE3       LYS  99  -8.562  -4.113  10.375
  765   1HZ   LYS  99          HZ1       LYS  99  -7.414  -3.745  12.457
  766   2HZ   LYS  99          HZ2       LYS  99  -6.081  -4.639  11.922
  767   3HZ   LYS  99          HZ3       LYS  99  -7.568  -5.406  12.170
  768    H    SER 100           HN       SER 100  -7.401  -2.341   6.708
  769    HA   SER 100           HA       SER 100  -7.549  -0.835   9.173
  770   1HB   SER 100          HB2       SER 100  -5.445   0.209   8.390
  771   2HB   SER 100          HB3       SER 100  -5.358  -1.552   8.371
  772    HG   SER 100           HG       SER 100  -4.671  -1.140   6.400
  773    H    HIS 101           HN       HIS 101  -8.692  -0.511   5.991
  774    HA   HIS 101           HA       HIS 101  -9.382   2.298   6.516
  775   1HB   HIS 101          HB2       HIS 101  -7.444   1.986   4.869
  776   2HB   HIS 101          HB3       HIS 101  -8.636   1.302   3.769
  777    HD1  HIS 101           HD1      HIS 101  -9.454   2.964   2.150
  778    HD2  HIS 101           HD2      HIS 101  -8.476   4.722   5.786
  779    HE1  HIS 101           HE1      HIS 101  -9.895   5.422   1.849
  780    HE2  HIS 101           HE2      HIS 101  -9.354   6.458   4.081
  781    H    LYS 102           HN       LYS 102 -11.074   0.139   7.040
  782    HA   LYS 102           HA       LYS 102 -13.299   0.836   5.354
  783   1HB   LYS 102          HB2       LYS 102 -12.049  -0.996   4.117
  784   2HB   LYS 102          HB3       LYS 102 -12.513  -2.072   5.427
  785   1HG   LYS 102          HG2       LYS 102 -14.873  -1.633   4.947
  786   2HG   LYS 102          HG3       LYS 102 -14.395  -0.576   3.615
  787   1HD   LYS 102          HD2       LYS 102 -13.207  -2.520   2.595
  788   2HD   LYS 102          HD3       LYS 102 -13.893  -3.539   3.863
  789   1HE   LYS 102          HE2       LYS 102 -16.154  -2.876   3.126
  790   2HE   LYS 102          HE3       LYS 102 -15.428  -1.942   1.819
  791   1HZ   LYS 102          HZ1       LYS 102 -16.158  -4.107   1.049
  792   2HZ   LYS 102          HZ2       LYS 102 -15.178  -4.878   2.193
  793   3HZ   LYS 102          HZ3       LYS 102 -14.473  -3.983   0.942
  794    H    THR 103           HN       THR 103 -12.030  -1.209   7.943
  795    HA   THR 103           HA       THR 103 -14.440  -2.111   9.008
  796    HB   THR 103           HB       THR 103 -13.201  -2.319  11.180
  797    HG1  THR 103           HG1      THR 103 -11.618  -0.519  10.025
  798   1HG2  THR 103          HG21      THR 103 -11.843  -3.371   8.695
  799   2HG2  THR 103          HG22      THR 103 -13.166  -4.136   9.575
  800   3HG2  THR 103          HG23      THR 103 -11.580  -3.981  10.329
  801    H    LYS 104           HN       LYS 104 -12.573   0.153  10.976
  802    HA   LYS 104           HA       LYS 104 -15.026   1.354  11.909
  803   1HB   LYS 104          HB2       LYS 104 -12.133   1.774  12.648
  804   2HB   LYS 104          HB3       LYS 104 -13.444   2.708  13.353
  805   1HG   LYS 104          HG2       LYS 104 -13.037   1.028  14.907
  806   2HG   LYS 104          HG3       LYS 104 -14.450   0.455  14.020
  807   1HD   LYS 104          HD2       LYS 104 -13.047  -0.998  12.673
  808   2HD   LYS 104          HD3       LYS 104 -11.600  -0.376  13.471
  809   1HE   LYS 104          HE2       LYS 104 -13.842  -1.913  14.781
  810   2HE   LYS 104          HE3       LYS 104 -12.238  -2.536  14.396
  811   1HZ   LYS 104          HZ1       LYS 104 -11.301  -0.874  15.913
  812   2HZ   LYS 104          HZ2       LYS 104 -12.356  -1.932  16.707
  813   3HZ   LYS 104          HZ3       LYS 104 -12.863  -0.365  16.323
  814    H    ILE 105           HN       ILE 105 -13.461   1.827   9.168
  815    HA   ILE 105           HA       ILE 105 -13.407   4.745   9.233
  816    HB   ILE 105           HB       ILE 105 -12.634   2.824   7.032
  817   1HG1  ILE 105          HG12      ILE 105 -10.332   3.807   7.546
  818   2HG1  ILE 105          HG13      ILE 105 -11.046   4.452   9.019
  819   1HG2  ILE 105          HG21      ILE 105 -12.564   5.825   7.182
  820   2HG2  ILE 105          HG22      ILE 105 -11.615   4.896   6.020
  821   3HG2  ILE 105          HG23      ILE 105 -13.375   4.815   5.988
  822   1HD1  ILE 105          HD11      ILE 105 -11.061   1.533   8.323
  823   2HD1  ILE 105          HD12      ILE 105  -9.794   2.306   9.275
  824   3HD1  ILE 105          HD13      ILE 105 -11.453   2.281   9.870
  825    H    ARG 106           HN       ARG 106 -14.871   2.198   7.202
  826    HA   ARG 106           HA       ARG 106 -16.751   2.169   5.919
  827   1HB   ARG 106          HB2       ARG 106 -17.729   4.035   8.085
  828   2HB   ARG 106          HB3       ARG 106 -18.758   3.212   6.921
  829   1HG   ARG 106          HG2       ARG 106 -18.024   1.051   7.812
  830   2HG   ARG 106          HG3       ARG 106 -17.019   1.892   8.994
  831   1HD   ARG 106          HD2       ARG 106 -20.021   2.075   8.751
  832   2HD   ARG 106          HD3       ARG 106 -19.131   1.184   9.985
  833    HE   ARG 106           HE       ARG 106 -18.402   3.938   9.933
  834   1HH1  ARG 106          HH12      ARG 106 -20.838   1.707  11.038
  835   2HH1  ARG 106          HH11      ARG 106 -21.354   2.717  12.347
  836   1HH2  ARG 106          HH22      ARG 106 -19.074   5.276  11.654
  837   2HH2  ARG 106          HH21      ARG 106 -20.351   4.747  12.696
  838    H    GLU 107           HN       GLU 107 -14.716   4.323   5.471
  839    HA   GLU 107           HA       GLU 107 -14.383   6.088   4.078
  840   1HB   GLU 107          HB2       GLU 107 -17.152   5.452   3.047
  841   2HB   GLU 107          HB3       GLU 107 -15.915   6.387   2.218
  842   1HG   GLU 107          HG2       GLU 107 -15.743   3.467   2.919
  843   2HG   GLU 107          HG3       GLU 107 -16.080   4.133   1.324
  844    H    SER 108           HN       SER 108 -14.278   7.866   5.334
  845    HA   SER 108           HA       SER 108 -16.492   9.003   6.689
  846   1HB   SER 108          HB2       SER 108 -13.812  10.225   5.993
  847   2HB   SER 108          HB3       SER 108 -14.971  10.899   7.139
  848    HG   SER 108           HG       SER 108 -13.139   8.958   7.514
  Start of MODEL   12
    1   1H    MET   1          H1        MET   1  19.671  -9.012   6.941
    2   2H    MET   1          H2        MET   1  20.894  -7.908   6.562
    3   3H    MET   1          H3        MET   1  21.033  -9.522   6.075
    4    HA   MET   1           HA       MET   1  20.425  -8.115   4.222
    5   1HB   MET   1          HB2       MET   1  18.451  -9.388   3.489
    6   2HB   MET   1          HB3       MET   1  19.652 -10.431   4.239
    7   1HG   MET   1          HG2       MET   1  18.362 -10.436   6.309
    8   2HG   MET   1          HG3       MET   1  17.159  -9.386   5.563
    9   1HE   MET   1          HE1       MET   1  15.218 -11.107   6.214
   10   2HE   MET   1          HE2       MET   1  15.294 -12.830   5.844
   11   3HE   MET   1          HE3       MET   1  16.433 -12.122   6.990
   12    H    ALA   2           HN       ALA   2  19.090  -6.577   3.295
   13    HA   ALA   2           HA       ALA   2  17.268  -5.218   5.170
   14   1HB   ALA   2          HB1       ALA   2  18.750  -4.016   2.834
   15   2HB   ALA   2          HB2       ALA   2  17.741  -3.154   3.996
   16   3HB   ALA   2          HB3       ALA   2  19.248  -3.903   4.522
   17    H    ALA   3           HN       ALA   3  15.449  -6.448   4.599
   18    HA   ALA   3           HA       ALA   3  13.994  -5.450   2.355
   19   1HB   ALA   3          HB1       ALA   3  14.779  -8.362   2.274
   20   2HB   ALA   3          HB2       ALA   3  13.701  -7.536   1.148
   21   3HB   ALA   3          HB3       ALA   3  15.409  -7.102   1.211
   22    H    GLY   4           HN       GLY   4  11.814  -5.714   2.609
   23   1HA   GLY   4          HA1       GLY   4   9.852  -6.733   3.441
   24   2HA   GLY   4          HA2       GLY   4  10.833  -7.650   4.573
   25    H    GLU   5           HN       GLU   5  12.217  -4.935   5.126
   26    HA   GLU   5           HA       GLU   5  10.107  -3.648   6.689
   27   1HB   GLU   5          HB2       GLU   5  11.602  -3.583   8.684
   28   2HB   GLU   5          HB3       GLU   5  11.058  -5.200   8.263
   29   1HG   GLU   5          HG2       GLU   5  13.191  -5.693   7.243
   30   2HG   GLU   5          HG3       GLU   5  13.741  -4.045   7.538
   31    H    LEU   6           HN       LEU   6  10.236  -1.487   6.624
   32    HA   LEU   6           HA       LEU   6  12.739  -0.304   5.611
   33   1HB   LEU   6          HB2       LEU   6  10.025   0.980   5.432
   34   2HB   LEU   6          HB3       LEU   6  11.481   1.401   4.552
   35    HG   LEU   6           HG       LEU   6  11.172  -1.078   3.615
   36   1HD1  LEU   6          HD11      LEU   6   8.394  -0.185   4.356
   37   2HD1  LEU   6          HD12      LEU   6   8.757  -1.469   3.202
   38   3HD1  LEU   6          HD13      LEU   6   9.227  -1.645   4.891
   39   1HD2  LEU   6          HD21      LEU   6   9.849   1.458   2.700
   40   2HD2  LEU   6          HD22      LEU   6  11.350   0.733   2.126
   41   3HD2  LEU   6          HD23      LEU   6   9.801  -0.028   1.748
   42    H    GLU   7           HN       GLU   7  10.385  -0.320   8.114
   43    HA   GLU   7           HA       GLU   7  11.988   1.136   9.916
   44   1HB   GLU   7          HB2       GLU   7  10.566   3.130  10.203
   45   2HB   GLU   7          HB3       GLU   7  11.301   3.074   8.605
   46   1HG   GLU   7          HG2       GLU   7   9.171   2.133   7.731
   47   2HG   GLU   7          HG3       GLU   7   8.460   2.397   9.322
   48    H    GLY   8           HN       GLY   8   9.060  -0.361   8.955
   49   1HA   GLY   8          HA1       GLY   8   8.592  -1.747  11.286
   50   2HA   GLY   8          HA2       GLY   8   7.688  -0.249  11.454
   51    H    GLY   9           HN       GLY   9   6.407  -2.707  11.419
   52   1HA   GLY   9          HA1       GLY   9   5.430  -3.221   8.746
   53   2HA   GLY   9          HA2       GLY   9   4.898  -4.011  10.223
   54    H    LYS  10           HN       LYS  10   4.129  -1.808  11.724
   55    HA   LYS  10           HA       LYS  10   1.508  -1.447  11.041
   56   1HB   LYS  10          HB2       LYS  10   2.371  -0.887  13.241
   57   2HB   LYS  10          HB3       LYS  10   3.275   0.465  12.574
   58   1HG   LYS  10          HG2       LYS  10   1.226   1.608  12.009
   59   2HG   LYS  10          HG3       LYS  10   0.273   0.222  12.547
   60   1HD   LYS  10          HD2       LYS  10   1.093   0.524  14.821
   61   2HD   LYS  10          HD3       LYS  10   2.094   1.880  14.293
   62   1HE   LYS  10          HE2       LYS  10   0.025   2.644  15.356
   63   2HE   LYS  10          HE3       LYS  10   0.103   3.126  13.661
   64   1HZ   LYS  10          HZ1       LYS  10  -1.343   1.268  13.108
   65   2HZ   LYS  10          HZ2       LYS  10  -2.085   2.289  14.233
   66   3HZ   LYS  10          HZ3       LYS  10  -1.424   0.816  14.737
   67    HA   PRO  11           HA       PRO  11   2.554   2.783   8.870
   68   1HB   PRO  11          HB2       PRO  11   5.273   2.367   7.858
   69   2HB   PRO  11          HB3       PRO  11   4.590   3.761   8.698
   70   1HG   PRO  11          HG2       PRO  11   6.381   2.068   9.839
   71   2HG   PRO  11          HG3       PRO  11   5.158   2.950  10.762
   72   1HD   PRO  11          HD2       PRO  11   5.231   0.106   9.964
   73   2HD   PRO  11          HD3       PRO  11   4.563   0.846  11.425
   74    H    LEU  12           HN       LEU  12   4.327  -0.049   7.674
   75    HA   LEU  12           HA       LEU  12   4.092   0.258   4.966
   76   1HB   LEU  12          HB2       LEU  12   5.323  -1.557   6.046
   77   2HB   LEU  12          HB3       LEU  12   3.816  -2.299   6.541
   78    HG   LEU  12           HG       LEU  12   3.261  -2.487   4.058
   79   1HD1  LEU  12          HD11      LEU  12   6.215  -1.937   3.835
   80   2HD1  LEU  12          HD12      LEU  12   5.164  -2.495   2.533
   81   3HD1  LEU  12          HD13      LEU  12   4.918  -0.899   3.241
   82   1HD2  LEU  12          HD21      LEU  12   3.878  -4.406   5.404
   83   2HD2  LEU  12          HD22      LEU  12   4.615  -4.522   3.807
   84   3HD2  LEU  12          HD23      LEU  12   5.588  -4.032   5.193
   85    H    SER  13           HN       SER  13   1.550  -0.425   7.219
   86    HA   SER  13           HA       SER  13  -0.297  -1.494   5.309
   87   1HB   SER  13          HB2       SER  13  -0.519  -2.039   7.677
   88   2HB   SER  13          HB3       SER  13  -0.769  -0.338   8.067
   89    HG   SER  13           HG       SER  13  -2.441  -1.832   6.331
   90    H    GLY  14           HN       GLY  14   0.336   1.695   6.674
   91   1HA   GLY  14          HA1       GLY  14  -1.924   2.892   5.326
   92   2HA   GLY  14          HA2       GLY  14  -0.714   3.731   6.284
   93    H    LEU  15           HN       LEU  15   0.449   1.622   3.825
   94    HA   LEU  15           HA       LEU  15   1.574   3.869   2.402
   95   1HB   LEU  15          HB2       LEU  15   1.945   0.945   2.409
   96   2HB   LEU  15          HB3       LEU  15   2.310   1.767   0.912
   97    HG   LEU  15           HG       LEU  15   4.243   1.372   2.530
   98   1HD1  LEU  15          HD11      LEU  15   4.549   2.805   0.679
   99   2HD1  LEU  15          HD12      LEU  15   3.584   4.084   1.417
  100   3HD1  LEU  15          HD13      LEU  15   5.161   3.669   2.089
  101   1HD2  LEU  15          HD21      LEU  15   3.145   2.021   4.589
  102   2HD2  LEU  15          HD22      LEU  15   4.519   3.080   4.279
  103   3HD2  LEU  15          HD23      LEU  15   2.878   3.648   3.968
  104    H    LEU  16           HN       LEU  16  -0.627   1.173   1.588
  105    HA   LEU  16           HA       LEU  16  -1.126   1.767  -1.051
  106   1HB   LEU  16          HB2       LEU  16  -3.323   0.987   0.865
  107   2HB   LEU  16          HB3       LEU  16  -3.230   0.644  -0.850
  108    HG   LEU  16           HG       LEU  16  -2.717  -1.412   0.002
  109   1HD1  LEU  16          HD11      LEU  16  -0.843  -0.698  -1.408
  110   2HD1  LEU  16          HD12      LEU  16   0.007  -0.126   0.026
  111   3HD1  LEU  16          HD13      LEU  16  -0.344  -1.845  -0.165
  112   1HD2  LEU  16          HD21      LEU  16  -1.962  -1.901   2.099
  113   2HD2  LEU  16          HD22      LEU  16  -0.920  -0.481   2.181
  114   3HD2  LEU  16          HD23      LEU  16  -2.662  -0.308   2.385
  115    H    ASN  17           HN       ASN  17  -1.872   3.535   1.744
  116    HA   ASN  17           HA       ASN  17  -3.873   5.248   0.541
  117   1HB   ASN  17          HB2       ASN  17  -2.526   5.058   3.223
  118   2HB   ASN  17          HB3       ASN  17  -3.494   6.474   2.801
  119   1HD2  ASN  17          HD21      ASN  17  -4.176   3.217   1.721
  120   2HD2  ASN  17          HD22      ASN  17  -5.633   3.017   2.626
  121    H    ALA  18           HN       ALA  18  -0.537   5.524   1.733
  122    HA   ALA  18           HA       ALA  18  -0.164   8.244   1.067
  123   1HB   ALA  18          HB1       ALA  18   1.752   5.997   1.599
  124   2HB   ALA  18          HB2       ALA  18   2.284   7.642   1.247
  125   3HB   ALA  18          HB3       ALA  18   1.285   7.324   2.662
  126    H    LEU  19           HN       LEU  19   1.018   5.299  -0.546
  127    HA   LEU  19           HA       LEU  19   2.295   6.408  -2.706
  128   1HB   LEU  19          HB2       LEU  19   0.632   3.931  -2.989
  129   2HB   LEU  19          HB3       LEU  19   2.160   4.311  -3.758
  130    HG   LEU  19           HG       LEU  19   1.777   3.665  -0.836
  131   1HD1  LEU  19          HD11      LEU  19   2.986   1.604  -1.376
  132   2HD1  LEU  19          HD12      LEU  19   1.453   1.719  -2.241
  133   3HD1  LEU  19          HD13      LEU  19   2.967   2.051  -3.083
  134   1HD2  LEU  19          HD21      LEU  19   4.221   4.338  -2.447
  135   2HD2  LEU  19          HD22      LEU  19   3.618   5.136  -0.995
  136   3HD2  LEU  19          HD23      LEU  19   4.283   3.505  -0.893
  137    H    ALA  20           HN       ALA  20  -1.060   6.469  -2.073
  138    HA   ALA  20           HA       ALA  20  -2.240   6.411  -4.564
  139   1HB   ALA  20          HB1       ALA  20  -3.478   6.561  -2.452
  140   2HB   ALA  20          HB2       ALA  20  -2.977   8.244  -2.290
  141   3HB   ALA  20          HB3       ALA  20  -4.022   7.760  -3.626
  142    H    GLN  21           HN       GLN  21  -1.130   7.347  -6.228
  143    HA   GLN  21           HA       GLN  21  -0.491  10.201  -6.051
  144   1HB   GLN  21          HB2       GLN  21   0.298   8.055  -8.020
  145   2HB   GLN  21          HB3       GLN  21   0.643   9.758  -8.282
  146   1HG   GLN  21          HG2       GLN  21   1.907   9.776  -6.150
  147   2HG   GLN  21          HG3       GLN  21   1.646   8.038  -6.028
  148   1HE2  GLN  21          HE21      GLN  21   4.118   9.612  -6.274
  149   2HE2  GLN  21          HE22      GLN  21   4.939   8.980  -7.657
  150    H    ASP  22           HN       ASP  22  -2.103  11.504  -6.595
  151    HA   ASP  22           HA       ASP  22  -3.856  12.437  -7.697
  152   1HB   ASP  22          HB2       ASP  22  -2.761  10.798  -9.994
  153   2HB   ASP  22          HB3       ASP  22  -3.991  12.047 -10.155
  154    H    THR  23           HN       THR  23  -5.375  11.381  -6.374
  155    HA   THR  23           HA       THR  23  -6.442   8.814  -7.077
  156    HB   THR  23           HB       THR  23  -8.075   9.199  -5.303
  157    HG1  THR  23           HG1      THR  23  -8.586  11.179  -4.779
  158   1HG2  THR  23          HG21      THR  23  -5.795   8.462  -4.700
  159   2HG2  THR  23          HG22      THR  23  -6.549   9.419  -3.426
  160   3HG2  THR  23          HG23      THR  23  -5.330  10.148  -4.471
  161    H    PHE  24           HN       PHE  24  -7.124  12.093  -7.914
  162    HA   PHE  24           HA       PHE  24  -8.628  13.059  -9.314
  163   1HB   PHE  24          HB2       PHE  24  -7.875  11.241 -10.838
  164   2HB   PHE  24          HB3       PHE  24  -9.185  10.231 -10.237
  165    HD1  PHE  24           HD1      PHE  24 -11.264  10.295 -11.254
  166    HD2  PHE  24           HD2      PHE  24  -8.525  13.485 -11.910
  167    HE1  PHE  24           HE1      PHE  24 -12.774  11.236 -12.953
  168    HE2  PHE  24           HE2      PHE  24 -10.030  14.433 -13.610
  169    HZ   PHE  24           HZ       PHE  24 -12.148  13.308 -14.142
  170    H    HIS  25           HN       HIS  25 -10.076  13.863  -7.856
  171    HA   HIS  25           HA       HIS  25 -12.047  14.148  -6.766
  172   1HB   HIS  25          HB2       HIS  25 -12.902  12.054  -8.768
  173   2HB   HIS  25          HB3       HIS  25 -14.025  12.853  -7.673
  174    HD1  HIS  25           HD1      HIS  25 -12.171  13.323 -10.832
  175    HD2  HIS  25           HD2      HIS  25 -14.398  15.640  -8.198
  176    HE1  HIS  25           HE1      HIS  25 -12.683  15.450 -12.074
  177    HE2  HIS  25           HE2      HIS  25 -14.035  16.836 -10.462
  178    H    GLY  26           HN       GLY  26 -10.097  11.798  -6.129
  179   1HA   GLY  26          HA1       GLY  26 -11.879  10.047  -4.621
  180   2HA   GLY  26          HA2       GLY  26 -10.143   9.848  -4.816
  181    H    TYR  27           HN       TYR  27  -8.991  10.178  -3.033
  182    HA   TYR  27           HA       TYR  27 -10.205  11.578  -0.795
  183   1HB   TYR  27          HB2       TYR  27  -9.093   9.419  -0.401
  184   2HB   TYR  27          HB3       TYR  27  -7.573  10.099  -0.974
  185    HD1  TYR  27           HD1      TYR  27 -10.191  10.606   1.630
  186    HD2  TYR  27           HD2      TYR  27  -6.105  11.070   0.548
  187    HE1  TYR  27           HE1      TYR  27  -9.680  11.364   3.913
  188    HE2  TYR  27           HE2      TYR  27  -5.579  11.827   2.827
  189    HH   TYR  27           HH       TYR  27  -6.728  12.831   4.744
  190    HA   PRO  28           HA       PRO  28  -7.945  15.279  -1.985
  191   1HB   PRO  28          HB2       PRO  28  -9.088  16.503   0.403
  192   2HB   PRO  28          HB3       PRO  28  -9.386  16.884  -1.294
  193   1HG   PRO  28          HG2       PRO  28 -11.247  15.726   0.299
  194   2HG   PRO  28          HG3       PRO  28 -11.154  15.430  -1.447
  195   1HD   PRO  28          HD2       PRO  28 -10.183  13.728   0.821
  196   2HD   PRO  28          HD3       PRO  28 -11.008  13.245  -0.678
  197    H    GLY  29           HN       GLY  29  -6.093  16.299  -1.308
  198   1HA   GLY  29          HA1       GLY  29  -4.375  16.911   0.147
  199   2HA   GLY  29          HA2       GLY  29  -5.162  15.998   1.425
  200    H    ILE  30           HN       ILE  30  -3.871  15.173  -1.795
  201    HA   ILE  30           HA       ILE  30  -1.821  13.507  -0.636
  202    HB   ILE  30           HB       ILE  30  -3.844  12.050  -0.563
  203   1HG1  ILE  30          HG12      ILE  30  -2.694  10.225  -2.135
  204   2HG1  ILE  30          HG13      ILE  30  -1.390  11.407  -2.123
  205   1HG2  ILE  30          HG21      ILE  30  -4.770  11.178  -2.645
  206   2HG2  ILE  30          HG22      ILE  30  -4.985  12.924  -2.533
  207   3HG2  ILE  30          HG23      ILE  30  -3.724  12.256  -3.569
  208   1HD1  ILE  30          HD11      ILE  30  -1.470  11.339   0.371
  209   2HD1  ILE  30          HD12      ILE  30  -2.605   9.997   0.234
  210   3HD1  ILE  30          HD13      ILE  30  -0.966   9.833  -0.397
  211    H    THR  31           HN       THR  31  -0.119  13.233  -2.017
  212    HA   THR  31           HA       THR  31  -0.434  13.511  -4.866
  213    HB   THR  31           HB       THR  31  -0.374  15.872  -4.177
  214    HG1  THR  31           HG1      THR  31   0.543  15.771  -6.115
  215   1HG2  THR  31          HG21      THR  31   2.418  15.332  -3.178
  216   2HG2  THR  31          HG22      THR  31   1.013  15.482  -2.125
  217   3HG2  THR  31          HG23      THR  31   1.526  16.851  -3.111
  218    H    GLU  32           HN       GLU  32   1.943  13.684  -5.851
  219    HA   GLU  32           HA       GLU  32   3.249  11.284  -5.070
  220   1HB   GLU  32          HB2       GLU  32   4.340  13.406  -6.914
  221   2HB   GLU  32          HB3       GLU  32   4.737  11.694  -6.895
  222   1HG   GLU  32          HG2       GLU  32   2.514  11.134  -7.656
  223   2HG   GLU  32          HG3       GLU  32   2.039  12.830  -7.586
  224    H    GLU  33           HN       GLU  33   3.515  14.452  -3.910
  225    HA   GLU  33           HA       GLU  33   6.316  14.242  -3.186
  226   1HB   GLU  33          HB2       GLU  33   5.429  16.416  -3.853
  227   2HB   GLU  33          HB3       GLU  33   4.264  16.362  -2.537
  228   1HG   GLU  33          HG2       GLU  33   6.162  17.812  -2.031
  229   2HG   GLU  33          HG3       GLU  33   6.050  16.458  -0.909
  230    H    LEU  34           HN       LEU  34   3.319  14.787  -1.293
  231    HA   LEU  34           HA       LEU  34   4.552  14.185   1.155
  232   1HB   LEU  34          HB2       LEU  34   2.255  14.120   2.016
  233   2HB   LEU  34          HB3       LEU  34   2.600  15.562   1.101
  234    HG   LEU  34           HG       LEU  34   1.496  14.132  -0.831
  235   1HD1  LEU  34          HD11      LEU  34   0.219  13.037   1.665
  236   2HD1  LEU  34          HD12      LEU  34  -0.351  12.783   0.016
  237   3HD1  LEU  34          HD13      LEU  34   1.205  12.127   0.521
  238   1HD2  LEU  34          HD21      LEU  34  -0.627  15.229  -0.316
  239   2HD2  LEU  34          HD22      LEU  34  -0.061  15.548   1.324
  240   3HD2  LEU  34          HD23      LEU  34   0.737  16.315  -0.049
  241    H    LEU  35           HN       LEU  35   3.362  12.146  -1.340
  242    HA   LEU  35           HA       LEU  35   2.433   9.927  -0.009
  243   1HB   LEU  35          HB2       LEU  35   2.530   8.944  -2.019
  244   2HB   LEU  35          HB3       LEU  35   3.054  10.507  -2.597
  245    HG   LEU  35           HG       LEU  35   5.455   9.586  -2.088
  246   1HD1  LEU  35          HD11      LEU  35   5.578   7.143  -2.545
  247   2HD1  LEU  35          HD12      LEU  35   4.853   7.542  -0.989
  248   3HD1  LEU  35          HD13      LEU  35   3.829   7.062  -2.341
  249   1HD2  LEU  35          HD21      LEU  35   4.573  10.190  -4.296
  250   2HD2  LEU  35          HD22      LEU  35   5.598   8.757  -4.362
  251   3HD2  LEU  35          HD23      LEU  35   3.844   8.591  -4.433
  252    H    ARG  36           HN       ARG  36   5.731  11.025  -0.422
  253    HA   ARG  36           HA       ARG  36   6.877   8.698   0.843
  254   1HB   ARG  36          HB2       ARG  36   8.507   9.457  -0.516
  255   2HB   ARG  36          HB3       ARG  36   7.838  11.074  -0.575
  256   1HG   ARG  36          HG2       ARG  36   8.855  11.447   1.708
  257   2HG   ARG  36          HG3       ARG  36   9.705   9.920   1.474
  258   1HD   ARG  36          HD2       ARG  36  10.778  10.783  -0.509
  259   2HD   ARG  36          HD3       ARG  36   9.861  12.282  -0.387
  260    HE   ARG  36           HE       ARG  36  11.661  11.513   1.796
  261   1HH1  ARG  36          HH12      ARG  36  10.829  13.667  -0.815
  262   2HH1  ARG  36          HH11      ARG  36  11.975  14.879  -0.348
  263   1HH2  ARG  36          HH22      ARG  36  13.171  13.103   2.414
  264   2HH2  ARG  36          HH21      ARG  36  13.307  14.558   1.485
  265    H    SER  37           HN       SER  37   6.745  12.159   1.615
  266    HA   SER  37           HA       SER  37   7.796  12.062   4.166
  267   1HB   SER  37          HB2       SER  37   7.404  14.153   2.954
  268   2HB   SER  37          HB3       SER  37   5.661  13.936   3.125
  269    HG   SER  37           HG       SER  37   7.380  15.039   4.844
  270    H    GLN  38           HN       GLN  38   4.740  10.915   3.112
  271    HA   GLN  38           HA       GLN  38   3.266  11.245   5.501
  272   1HB   GLN  38          HB2       GLN  38   2.953   9.611   3.033
  273   2HB   GLN  38          HB3       GLN  38   1.981   9.192   4.436
  274   1HG   GLN  38          HG2       GLN  38   2.065  11.900   3.127
  275   2HG   GLN  38          HG3       GLN  38   0.807  10.687   2.895
  276   1HE2  GLN  38          HE21      GLN  38   0.595  13.395   3.930
  277   2HE2  GLN  38          HE22      GLN  38  -0.083  13.258   5.513
  278    H    LEU  39           HN       LEU  39   4.708   8.204   4.198
  279    HA   LEU  39           HA       LEU  39   5.020   7.362   7.002
  280   1HB   LEU  39          HB2       LEU  39   4.098   5.630   4.712
  281   2HB   LEU  39          HB3       LEU  39   4.434   5.065   6.337
  282    HG   LEU  39           HG       LEU  39   2.615   6.970   6.898
  283   1HD1  LEU  39          HD11      LEU  39   1.721   5.854   4.244
  284   2HD1  LEU  39          HD12      LEU  39   0.844   6.978   5.279
  285   3HD1  LEU  39          HD13      LEU  39   2.330   7.489   4.483
  286   1HD2  LEU  39          HD21      LEU  39   1.867   4.191   6.007
  287   2HD2  LEU  39          HD22      LEU  39   2.645   4.559   7.549
  288   3HD2  LEU  39          HD23      LEU  39   1.039   5.199   7.193
  289    H    TYR  40           HN       TYR  40   6.386   7.565   3.849
  290    HA   TYR  40           HA       TYR  40   8.693   5.957   4.727
  291   1HB   TYR  40          HB2       TYR  40   7.567   6.542   2.004
  292   2HB   TYR  40          HB3       TYR  40   9.253   6.082   2.186
  293    HD1  TYR  40           HD1      TYR  40   7.088   4.593   4.612
  294    HD2  TYR  40           HD2      TYR  40   8.560   4.144   0.642
  295    HE1  TYR  40           HE1      TYR  40   6.422   2.233   4.633
  296    HE2  TYR  40           HE2      TYR  40   7.897   1.789   0.656
  297    HH   TYR  40           HH       TYR  40   5.835   0.469   2.960
  298    HA   PRO  41           HA       PRO  41  10.225  10.320   4.735
  299   1HB   PRO  41          HB2       PRO  41  11.661  10.148   7.008
  300   2HB   PRO  41          HB3       PRO  41   9.918  10.445   7.018
  301   1HG   PRO  41          HG2       PRO  41  11.406   7.887   7.472
  302   2HG   PRO  41          HG3       PRO  41  10.016   8.545   8.356
  303   1HD   PRO  41          HD2       PRO  41   9.793   6.622   6.439
  304   2HD   PRO  41          HD3       PRO  41   8.510   7.796   6.794
  305    H    GLU  42           HN       GLU  42  11.789   7.216   5.022
  306    HA   GLU  42           HA       GLU  42  14.420   8.286   4.453
  307   1HB   GLU  42          HB2       GLU  42  15.146   5.930   4.511
  308   2HB   GLU  42          HB3       GLU  42  14.260   6.390   5.958
  309   1HG   GLU  42          HG2       GLU  42  12.270   5.290   5.117
  310   2HG   GLU  42          HG3       GLU  42  13.115   4.871   3.628
  311    H    VAL  43           HN       VAL  43  11.818   6.651   2.757
  312    HA   VAL  43           HA       VAL  43  13.383   6.232   0.379
  313    HB   VAL  43           HB       VAL  43  10.802   5.383   1.351
  314   1HG1  VAL  43          HG11      VAL  43   9.849   6.978  -0.224
  315   2HG1  VAL  43          HG12      VAL  43  10.847   6.313  -1.519
  316   3HG1  VAL  43          HG13      VAL  43   9.590   5.322  -0.777
  317   1HG2  VAL  43          HG21      VAL  43  12.527   4.448  -0.938
  318   2HG2  VAL  43          HG22      VAL  43  12.626   3.901   0.736
  319   3HG2  VAL  43          HG23      VAL  43  11.188   3.550  -0.223
  320    HA   PRO  44           HA       PRO  44  12.653  10.407  -1.072
  321   1HB   PRO  44          HB2       PRO  44  13.955   9.598  -3.548
  322   2HB   PRO  44          HB3       PRO  44  14.523  10.723  -2.313
  323   1HG   PRO  44          HG2       PRO  44  15.680   8.309  -2.749
  324   2HG   PRO  44          HG3       PRO  44  15.648   9.090  -1.157
  325   1HD   PRO  44          HD2       PRO  44  13.906   6.901  -2.230
  326   2HD   PRO  44          HD3       PRO  44  14.645   7.066  -0.622
  327    HA   PRO  45           HA       PRO  45   9.194  10.055  -3.804
  328   1HB   PRO  45          HB2       PRO  45   9.936  12.567  -5.126
  329   2HB   PRO  45          HB3       PRO  45   8.552  12.217  -4.088
  330   1HG   PRO  45          HG2       PRO  45  10.557  13.794  -3.255
  331   2HG   PRO  45          HG3       PRO  45   9.718  12.689  -2.142
  332   1HD   PRO  45          HD2       PRO  45  12.347  12.312  -3.549
  333   2HD   PRO  45          HD3       PRO  45  11.939  12.023  -1.843
  334    H    GLU  46           HN       GLU  46  12.163   9.460  -4.806
  335    HA   GLU  46           HA       GLU  46  11.358   9.099  -7.611
  336   1HB   GLU  46          HB2       GLU  46  14.067   9.977  -6.594
  337   2HB   GLU  46          HB3       GLU  46  13.740   9.491  -8.251
  338   1HG   GLU  46          HG2       GLU  46  12.397  11.790  -6.851
  339   2HG   GLU  46          HG3       GLU  46  13.793  11.939  -7.917
  340    H    GLU  47           HN       GLU  47  13.525   8.056  -5.003
  341    HA   GLU  47           HA       GLU  47  14.054   5.526  -6.327
  342   1HB   GLU  47          HB2       GLU  47  14.950   6.670  -3.683
  343   2HB   GLU  47          HB3       GLU  47  15.401   5.069  -4.247
  344   1HG   GLU  47          HG2       GLU  47  16.466   6.096  -6.216
  345   2HG   GLU  47          HG3       GLU  47  16.064   7.688  -5.574
  346    H    PHE  48           HN       PHE  48  11.350   6.372  -5.252
  347    HA   PHE  48           HA       PHE  48  10.803   4.554  -3.095
  348   1HB   PHE  48          HB2       PHE  48   8.497   5.296  -3.323
  349   2HB   PHE  48          HB3       PHE  48   9.577   6.684  -3.363
  350    HD1  PHE  48           HD1      PHE  48  10.200   7.614  -5.656
  351    HD2  PHE  48           HD2      PHE  48   6.944   4.960  -5.024
  352    HE1  PHE  48           HE1      PHE  48   9.203   8.347  -7.780
  353    HE2  PHE  48           HE2      PHE  48   5.935   5.683  -7.148
  354    HZ   PHE  48           HZ       PHE  48   7.049   7.361  -8.528
  355    H    ARG  49           HN       ARG  49  10.797   4.402  -6.536
  356    HA   ARG  49           HA       ARG  49   8.908   2.371  -6.955
  357   1HB   ARG  49          HB2       ARG  49  11.349   3.122  -8.543
  358   2HB   ARG  49          HB3       ARG  49  10.120   1.998  -9.103
  359   1HG   ARG  49          HG2       ARG  49   9.462   4.804  -8.281
  360   2HG   ARG  49          HG3       ARG  49   9.958   4.394  -9.925
  361   1HD   ARG  49          HD2       ARG  49   7.597   3.242  -8.440
  362   2HD   ARG  49          HD3       ARG  49   7.522   4.460  -9.714
  363    HE   ARG  49           HE       ARG  49   8.816   2.401 -10.900
  364   1HH1  ARG  49          HH12      ARG  49   5.824   2.643  -9.130
  365   2HH1  ARG  49          HH11      ARG  49   5.055   1.358 -10.000
  366   1HH2  ARG  49          HH22      ARG  49   7.810   0.707 -12.053
  367   2HH2  ARG  49          HH21      ARG  49   6.185   0.256 -11.659
  368    HA   PRO  50           HA       PRO  50  12.759  -0.721  -6.888
  369   1HB   PRO  50          HB2       PRO  50  14.460   0.051  -4.792
  370   2HB   PRO  50          HB3       PRO  50  14.826   0.129  -6.518
  371   1HG   PRO  50          HG2       PRO  50  13.910   2.273  -4.674
  372   2HG   PRO  50          HG3       PRO  50  14.990   2.377  -6.075
  373   1HD   PRO  50          HD2       PRO  50  12.451   3.250  -6.177
  374   2HD   PRO  50          HD3       PRO  50  13.232   2.490  -7.578
  375    H    PHE  51           HN       PHE  51  11.136   0.978  -4.375
  376    HA   PHE  51           HA       PHE  51  11.040  -1.455  -2.732
  377   1HB   PHE  51          HB2       PHE  51  11.108   1.397  -2.095
  378   2HB   PHE  51          HB3       PHE  51   9.819   0.541  -1.255
  379    HD1  PHE  51           HD1      PHE  51  10.660  -1.856  -0.321
  380    HD2  PHE  51           HD2      PHE  51  13.089   1.580  -0.966
  381    HE1  PHE  51           HE1      PHE  51  12.286  -2.702   1.321
  382    HE2  PHE  51           HE2      PHE  51  14.719   0.740   0.676
  383    HZ   PHE  51           HZ       PHE  51  14.318  -1.404   1.821
  384    H    LEU  52           HN       LEU  52   9.187   0.650  -4.747
  385    HA   LEU  52           HA       LEU  52   6.660  -0.396  -3.753
  386   1HB   LEU  52          HB2       LEU  52   7.361   1.634  -5.852
  387   2HB   LEU  52          HB3       LEU  52   5.735   1.004  -5.701
  388    HG   LEU  52           HG       LEU  52   7.221   2.874  -3.921
  389   1HD1  LEU  52          HD11      LEU  52   5.563   3.641  -5.576
  390   2HD1  LEU  52          HD12      LEU  52   4.330   2.688  -4.751
  391   3HD1  LEU  52          HD13      LEU  52   5.107   4.035  -3.919
  392   1HD2  LEU  52          HD21      LEU  52   5.609   2.449  -2.099
  393   2HD2  LEU  52          HD22      LEU  52   5.041   1.022  -2.965
  394   3HD2  LEU  52          HD23      LEU  52   6.701   1.092  -2.373
  395    H    ALA  53           HN       ALA  53   9.016  -1.357  -5.922
  396    HA   ALA  53           HA       ALA  53   7.552  -2.365  -8.073
  397   1HB   ALA  53          HB1       ALA  53  10.036  -2.265  -7.954
  398   2HB   ALA  53          HB2       ALA  53   9.999  -3.638  -6.849
  399   3HB   ALA  53          HB3       ALA  53   9.418  -3.822  -8.505
  400    H    LYS  54           HN       LYS  54   7.688  -3.293  -4.811
  401    HA   LYS  54           HA       LYS  54   6.150  -5.736  -5.378
  402   1HB   LYS  54          HB2       LYS  54   7.824  -5.181  -2.926
  403   2HB   LYS  54          HB3       LYS  54   7.009  -6.686  -3.330
  404   1HG   LYS  54          HG2       LYS  54   8.979  -7.327  -4.142
  405   2HG   LYS  54          HG3       LYS  54   8.599  -6.287  -5.516
  406   1HD   LYS  54          HD2       LYS  54  10.756  -5.641  -4.833
  407   2HD   LYS  54          HD3       LYS  54   9.676  -4.405  -4.186
  408   1HE   LYS  54          HE2       LYS  54   9.708  -5.516  -2.008
  409   2HE   LYS  54          HE3       LYS  54  10.786  -6.752  -2.653
  410   1HZ   LYS  54          HZ1       LYS  54  11.997  -5.059  -1.423
  411   2HZ   LYS  54          HZ2       LYS  54  11.413  -3.855  -2.458
  412   3HZ   LYS  54          HZ3       LYS  54  12.449  -5.052  -3.053
  413    H    MET  55           HN       MET  55   5.967  -2.631  -4.293
  414    HA   MET  55           HA       MET  55   3.659  -3.217  -2.555
  415   1HB   MET  55          HB2       MET  55   5.844  -1.185  -2.316
  416   2HB   MET  55          HB3       MET  55   4.244  -0.782  -1.709
  417   1HG   MET  55          HG2       MET  55   5.887  -3.164  -0.854
  418   2HG   MET  55          HG3       MET  55   5.709  -1.655   0.038
  419   1HE   MET  55          HE1       MET  55   2.662  -0.931  -0.407
  420   2HE   MET  55          HE2       MET  55   1.921  -1.695   0.999
  421   3HE   MET  55          HE3       MET  55   3.456  -0.844   1.165
  422    H    ARG  56           HN       ARG  56   4.009  -2.596  -5.572
  423    HA   ARG  56           HA       ARG  56   2.327  -0.188  -5.700
  424   1HB   ARG  56          HB2       ARG  56   3.057   0.157  -7.884
  425   2HB   ARG  56          HB3       ARG  56   4.490  -0.482  -7.093
  426   1HG   ARG  56          HG2       ARG  56   3.283  -2.753  -8.023
  427   2HG   ARG  56          HG3       ARG  56   2.908  -1.576  -9.284
  428   1HD   ARG  56          HD2       ARG  56   5.340  -0.980  -9.320
  429   2HD   ARG  56          HD3       ARG  56   5.619  -2.333  -8.226
  430    HE   ARG  56           HE       ARG  56   4.217  -3.301 -10.430
  431   1HH1  ARG  56          HH12      ARG  56   7.330  -1.912  -9.706
  432   2HH1  ARG  56          HH11      ARG  56   8.144  -2.747 -10.986
  433   1HH2  ARG  56          HH22      ARG  56   5.280  -4.405 -12.117
  434   2HH2  ARG  56          HH21      ARG  56   6.979  -4.164 -12.357
  435    H    GLY  57           HN       GLY  57   2.351  -3.608  -6.434
  436   1HA   GLY  57          HA1       GLY  57   0.168  -3.772  -8.158
  437   2HA   GLY  57          HA2       GLY  57   0.678  -5.042  -7.061
  438    H    ILE  58           HN       ILE  58   0.219  -3.289  -4.698
  439    HA   ILE  58           HA       ILE  58  -2.600  -3.869  -4.412
  440    HB   ILE  58           HB       ILE  58  -0.744  -2.642  -2.376
  441   1HG1  ILE  58          HG12      ILE  58  -1.064  -5.229  -1.615
  442   2HG1  ILE  58          HG13      ILE  58  -1.053  -5.406  -3.361
  443   1HG2  ILE  58          HG21      ILE  58  -2.360  -3.377  -0.754
  444   2HG2  ILE  58          HG22      ILE  58  -3.182  -2.409  -1.976
  445   3HG2  ILE  58          HG23      ILE  58  -3.319  -4.167  -2.005
  446   1HD1  ILE  58          HD11      ILE  58   1.090  -4.080  -1.720
  447   2HD1  ILE  58          HD12      ILE  58   1.168  -5.695  -2.421
  448   3HD1  ILE  58          HD13      ILE  58   1.101  -4.281  -3.472
  449    H    LEU  59           HN       LEU  59  -0.463  -1.059  -4.451
  450    HA   LEU  59           HA       LEU  59  -2.362   0.890  -3.771
  451   1HB   LEU  59          HB2       LEU  59   0.024   1.358  -3.760
  452   2HB   LEU  59          HB3       LEU  59   0.117   1.093  -5.488
  453    HG   LEU  59           HG       LEU  59   0.137   3.510  -4.609
  454   1HD1  LEU  59          HD11      LEU  59  -1.902   2.912  -6.731
  455   2HD1  LEU  59          HD12      LEU  59  -0.864   4.329  -6.585
  456   3HD1  LEU  59          HD13      LEU  59  -0.165   2.760  -6.988
  457   1HD2  LEU  59          HD21      LEU  59  -2.826   2.981  -4.466
  458   2HD2  LEU  59          HD22      LEU  59  -1.769   3.265  -3.083
  459   3HD2  LEU  59          HD23      LEU  59  -2.028   4.540  -4.271
  460    H    LYS  60           HN       LYS  60  -1.207  -0.143  -6.967
  461    HA   LYS  60           HA       LYS  60  -2.922   1.433  -8.506
  462   1HB   LYS  60          HB2       LYS  60  -0.998   0.367  -9.487
  463   2HB   LYS  60          HB3       LYS  60  -1.613  -1.227  -9.080
  464   1HG   LYS  60          HG2       LYS  60  -3.304   0.466 -10.817
  465   2HG   LYS  60          HG3       LYS  60  -1.817  -0.178 -11.510
  466   1HD   LYS  60          HD2       LYS  60  -3.913  -1.848 -10.126
  467   2HD   LYS  60          HD3       LYS  60  -3.815  -1.624 -11.872
  468   1HE   LYS  60          HE2       LYS  60  -1.563  -2.600 -11.861
  469   2HE   LYS  60          HE3       LYS  60  -1.679  -2.836 -10.117
  470   1HZ   LYS  60          HZ1       LYS  60  -3.449  -4.092 -12.146
  471   2HZ   LYS  60          HZ2       LYS  60  -3.539  -4.329 -10.474
  472   3HZ   LYS  60          HZ3       LYS  60  -2.183  -4.864 -11.330
  473    H    SER  61           HN       SER  61  -3.383  -1.717  -7.031
  474    HA   SER  61           HA       SER  61  -5.749  -2.423  -8.399
  475   1HB   SER  61          HB2       SER  61  -4.304  -4.023  -7.159
  476   2HB   SER  61          HB3       SER  61  -4.869  -3.312  -5.645
  477    HG   SER  61           HG       SER  61  -6.945  -3.969  -7.248
  478    H    ILE  62           HN       ILE  62  -5.222  -0.830  -5.266
  479    HA   ILE  62           HA       ILE  62  -8.064  -0.604  -4.787
  480    HB   ILE  62           HB       ILE  62  -5.825   0.697  -3.240
  481   1HG1  ILE  62          HG12      ILE  62  -7.157  -1.972  -2.724
  482   2HG1  ILE  62          HG13      ILE  62  -5.554  -1.778  -3.421
  483   1HG2  ILE  62          HG21      ILE  62  -7.477   0.674  -1.405
  484   2HG2  ILE  62          HG22      ILE  62  -7.999   1.648  -2.780
  485   3HG2  ILE  62          HG23      ILE  62  -8.681   0.042  -2.528
  486   1HD1  ILE  62          HD11      ILE  62  -5.431  -2.310  -1.059
  487   2HD1  ILE  62          HD12      ILE  62  -4.795  -0.695  -1.371
  488   3HD1  ILE  62          HD13      ILE  62  -6.403  -0.890  -0.675
  489    H    ALA  63           HN       ALA  63  -5.530   1.411  -6.079
  490    HA   ALA  63           HA       ALA  63  -7.060   3.841  -5.788
  491   1HB   ALA  63          HB1       ALA  63  -5.174   4.947  -6.830
  492   2HB   ALA  63          HB2       ALA  63  -4.626   3.868  -5.546
  493   3HB   ALA  63          HB3       ALA  63  -4.460   3.385  -7.234
  494    H    SER  64           HN       SER  64  -5.649   2.235  -8.651
  495    HA   SER  64           HA       SER  64  -7.280   3.738 -10.441
  496   1HB   SER  64          HB2       SER  64  -5.600   1.272 -10.932
  497   2HB   SER  64          HB3       SER  64  -6.323   2.274 -12.191
  498    HG   SER  64           HG       SER  64  -4.099   2.727 -10.630
  499    H    ALA  65           HN       ALA  65  -7.363   0.367  -9.325
  500    HA   ALA  65           HA       ALA  65  -9.802  -0.116 -10.835
  501   1HB   ALA  65          HB1       ALA  65  -8.112  -1.842 -10.835
  502   2HB   ALA  65          HB2       ALA  65  -8.170  -1.933  -9.076
  503   3HB   ALA  65          HB3       ALA  65  -9.569  -2.426 -10.031
  504    H    ASP  66           HN       ASP  66  -8.768   0.175  -7.471
  505    HA   ASP  66           HA       ASP  66  -9.919   0.367  -5.521
  506   1HB   ASP  66          HB2       ASP  66 -10.878   2.334  -6.618
  507   2HB   ASP  66          HB3       ASP  66 -12.116   1.330  -7.368
  508    H    MET  67           HN       MET  67  -9.872  -1.905  -5.205
  509    HA   MET  67           HA       MET  67 -12.162  -3.479  -6.024
  510   1HB   MET  67          HB2       MET  67  -9.814  -4.245  -4.280
  511   2HB   MET  67          HB3       MET  67 -10.993  -5.350  -4.974
  512   1HG   MET  67          HG2       MET  67  -9.089  -3.627  -6.542
  513   2HG   MET  67          HG3       MET  67  -8.870  -5.341  -6.197
  514   1HE   MET  67          HE1       MET  67  -9.691  -5.303 -10.031
  515   2HE   MET  67          HE2       MET  67  -8.673  -4.222  -9.080
  516   3HE   MET  67          HE3       MET  67  -8.614  -5.962  -8.799
  517    H    ASP  68           HN       ASP  68 -12.611  -5.162  -3.954
  518    HA   ASP  68           HA       ASP  68 -13.327  -3.495  -1.652
  519   1HB   ASP  68          HB2       ASP  68 -15.251  -5.304  -3.130
  520   2HB   ASP  68          HB3       ASP  68 -15.589  -4.502  -1.600
  521    H    PHE  69           HN       PHE  69 -13.964  -6.844  -2.719
  522    HA   PHE  69           HA       PHE  69 -12.189  -7.902  -0.706
  523   1HB   PHE  69          HB2       PHE  69 -13.966  -9.242   0.400
  524   2HB   PHE  69          HB3       PHE  69 -14.137  -7.512   0.668
  525    HD1  PHE  69           HD1      PHE  69 -15.621 -10.488  -0.756
  526    HD2  PHE  69           HD2      PHE  69 -15.901  -6.249  -0.508
  527    HE1  PHE  69           HE1      PHE  69 -17.935 -10.597  -1.586
  528    HE2  PHE  69           HE2      PHE  69 -18.216  -6.350  -1.337
  529    HZ   PHE  69           HZ       PHE  69 -19.235  -8.521  -1.878
  530    H    ASN  70           HN       ASN  70 -11.908 -10.202  -0.854
  531    HA   ASN  70           HA       ASN  70 -11.649 -12.176  -1.937
  532   1HB   ASN  70          HB2       ASN  70 -14.138 -12.191  -1.925
  533   2HB   ASN  70          HB3       ASN  70 -14.120 -11.403  -3.499
  534   1HD2  ASN  70          HD21      ASN  70 -13.447 -14.336  -1.752
  535   2HD2  ASN  70          HD22      ASN  70 -13.350 -15.371  -3.131
  536    H    GLN  71           HN       GLN  71 -11.356  -9.238  -3.401
  537    HA   GLN  71           HA       GLN  71 -10.440 -10.352  -5.957
  538   1HB   GLN  71          HB2       GLN  71 -11.004  -7.505  -5.116
  539   2HB   GLN  71          HB3       GLN  71 -10.347  -7.958  -6.683
  540   1HG   GLN  71          HG2       GLN  71 -13.016  -8.816  -5.588
  541   2HG   GLN  71          HG3       GLN  71 -12.750  -7.542  -6.775
  542   1HE2  GLN  71          HE21      GLN  71 -14.296 -10.012  -6.980
  543   2HE2  GLN  71          HE22      GLN  71 -13.642 -10.872  -8.329
  544    H    LEU  72           HN       LEU  72  -9.393  -8.384  -3.221
  545    HA   LEU  72           HA       LEU  72  -6.688  -8.187  -4.236
  546   1HB   LEU  72          HB2       LEU  72  -8.098  -7.190  -1.784
  547   2HB   LEU  72          HB3       LEU  72  -6.350  -7.166  -1.881
  548    HG   LEU  72           HG       LEU  72  -8.154  -5.797  -3.869
  549   1HD1  LEU  72          HD11      LEU  72  -7.668  -3.742  -2.727
  550   2HD1  LEU  72          HD12      LEU  72  -8.365  -4.884  -1.577
  551   3HD1  LEU  72          HD13      LEU  72  -6.628  -4.582  -1.574
  552   1HD2  LEU  72          HD21      LEU  72  -6.073  -4.602  -4.458
  553   2HD2  LEU  72          HD22      LEU  72  -5.185  -5.648  -3.351
  554   3HD2  LEU  72          HD23      LEU  72  -5.975  -6.334  -4.771
  555    H    GLU  73           HN       GLU  73  -8.493 -10.095  -1.953
  556    HA   GLU  73           HA       GLU  73  -6.489 -11.141  -0.358
  557   1HB   GLU  73          HB2       GLU  73  -8.970 -11.521  -0.139
  558   2HB   GLU  73          HB3       GLU  73  -8.840 -12.712  -1.424
  559   1HG   GLU  73          HG2       GLU  73  -7.244 -12.895   1.112
  560   2HG   GLU  73          HG3       GLU  73  -8.860 -13.580   0.951
  561    H    ALA  74           HN       ALA  74  -7.512 -12.139  -3.590
  562    HA   ALA  74           HA       ALA  74  -5.837 -14.422  -3.746
  563   1HB   ALA  74          HB1       ALA  74  -7.808 -14.116  -5.169
  564   2HB   ALA  74          HB2       ALA  74  -7.001 -12.779  -5.989
  565   3HB   ALA  74          HB3       ALA  74  -6.352 -14.413  -6.119
  566    H    PHE  75           HN       PHE  75  -5.272 -11.036  -4.197
  567    HA   PHE  75           HA       PHE  75  -2.873 -11.373  -5.752
  568   1HB   PHE  75          HB2       PHE  75  -4.180  -9.347  -6.048
  569   2HB   PHE  75          HB3       PHE  75  -4.001  -8.947  -4.342
  570    HD1  PHE  75           HD1      PHE  75  -1.792  -8.273  -3.458
  571    HD2  PHE  75           HD2      PHE  75  -2.475  -8.864  -7.617
  572    HE1  PHE  75           HE1      PHE  75   0.248  -6.998  -3.970
  573    HE2  PHE  75           HE2      PHE  75  -0.434  -7.590  -8.136
  574    HZ   PHE  75           HZ       PHE  75   0.978  -6.732  -6.298
  575    H    LEU  76           HN       LEU  76  -3.663 -10.696  -2.388
  576    HA   LEU  76           HA       LEU  76  -1.140 -10.108  -1.404
  577   1HB   LEU  76          HB2       LEU  76  -3.592 -10.277  -0.344
  578   2HB   LEU  76          HB3       LEU  76  -2.926 -11.774   0.277
  579    HG   LEU  76           HG       LEU  76  -2.752  -9.870   1.854
  580   1HD1  LEU  76          HD11      LEU  76  -0.466 -10.262   2.518
  581   2HD1  LEU  76          HD12      LEU  76  -1.202 -11.771   1.977
  582   3HD1  LEU  76          HD13      LEU  76  -0.083 -10.905   0.923
  583   1HD2  LEU  76          HD21      LEU  76  -2.393  -8.103   0.192
  584   2HD2  LEU  76          HD22      LEU  76  -1.161  -8.095   1.450
  585   3HD2  LEU  76          HD23      LEU  76  -0.793  -8.756  -0.141
  586    H    THR  77           HN       THR  77  -2.346 -13.105  -2.553
  587    HA   THR  77           HA       THR  77  -0.415 -14.721  -1.112
  588    HB   THR  77           HB       THR  77  -2.242 -15.543  -3.379
  589    HG1  THR  77           HG1      THR  77  -3.473 -14.818  -1.617
  590   1HG2  THR  77          HG21      THR  77  -0.824 -17.182  -1.275
  591   2HG2  THR  77          HG22      THR  77  -0.368 -17.079  -2.975
  592   3HG2  THR  77          HG23      THR  77  -1.909 -17.805  -2.517
  593    H    ALA  78           HN       ALA  78  -0.730 -13.133  -4.167
  594    HA   ALA  78           HA       ALA  78   1.305 -14.593  -5.541
  595   1HB   ALA  78          HB1       ALA  78  -0.457 -13.434  -6.755
  596   2HB   ALA  78          HB2       ALA  78   0.108 -11.887  -6.120
  597   3HB   ALA  78          HB3       ALA  78   1.127 -12.815  -7.221
  598    H    GLN  79           HN       GLN  79   1.183 -11.486  -3.844
  599    HA   GLN  79           HA       GLN  79   3.785 -10.628  -4.409
  600   1HB   GLN  79          HB2       GLN  79   3.511  -9.164  -2.440
  601   2HB   GLN  79          HB3       GLN  79   2.109  -9.132  -3.504
  602   1HG   GLN  79          HG2       GLN  79   0.823 -10.429  -2.036
  603   2HG   GLN  79          HG3       GLN  79   2.234 -10.906  -1.090
  604   1HE2  GLN  79          HE21      GLN  79   1.730  -7.643  -2.206
  605   2HE2  GLN  79          HE22      GLN  79   1.406  -6.955  -0.659
  606    H    THR  80           HN       THR  80   2.755 -13.218  -2.504
  607    HA   THR  80           HA       THR  80   5.244 -13.186  -0.933
  608    HB   THR  80           HB       THR  80   4.147 -14.823   0.550
  609    HG1  THR  80           HG1      THR  80   1.618 -14.391  -0.438
  610   1HG2  THR  80          HG21      THR  80   3.961 -12.447   1.077
  611   2HG2  THR  80          HG22      THR  80   2.488 -13.299   1.538
  612   3HG2  THR  80          HG23      THR  80   2.519 -12.324   0.069
  613    H    LYS  81           HN       LYS  81   3.547 -14.821  -3.435
  614    HA   LYS  81           HA       LYS  81   5.337 -17.138  -3.251
  615   1HB   LYS  81          HB2       LYS  81   2.738 -16.697  -4.709
  616   2HB   LYS  81          HB3       LYS  81   3.769 -18.088  -5.019
  617   1HG   LYS  81          HG2       LYS  81   3.568 -18.756  -2.673
  618   2HG   LYS  81          HG3       LYS  81   2.519 -17.367  -2.376
  619   1HD   LYS  81          HD2       LYS  81   0.867 -18.236  -3.905
  620   2HD   LYS  81          HD3       LYS  81   1.935 -19.566  -4.358
  621   1HE   LYS  81          HE2       LYS  81   0.824 -19.087  -1.594
  622   2HE   LYS  81          HE3       LYS  81   0.186 -20.249  -2.756
  623   1HZ   LYS  81          HZ1       LYS  81   2.277 -21.429  -2.697
  624   2HZ   LYS  81          HZ2       LYS  81   1.660 -21.285  -1.130
  625   3HZ   LYS  81          HZ3       LYS  81   2.934 -20.291  -1.631
  626    H    LYS  82           HN       LYS  82   5.466 -14.215  -4.591
  627    HA   LYS  82           HA       LYS  82   6.362 -15.041  -7.241
  628   1HB   LYS  82          HB2       LYS  82   6.534 -12.683  -7.748
  629   2HB   LYS  82          HB3       LYS  82   4.972 -13.003  -7.012
  630   1HG   LYS  82          HG2       LYS  82   5.557 -11.932  -5.036
  631   2HG   LYS  82          HG3       LYS  82   7.284 -12.062  -5.374
  632   1HD   LYS  82          HD2       LYS  82   6.742  -9.798  -5.748
  633   2HD   LYS  82          HD3       LYS  82   6.868 -10.525  -7.351
  634   1HE   LYS  82          HE2       LYS  82   4.392 -10.805  -7.337
  635   2HE   LYS  82          HE3       LYS  82   4.352  -9.908  -5.820
  636   1HZ   LYS  82          HZ1       LYS  82   5.376  -8.871  -8.406
  637   2HZ   LYS  82          HZ2       LYS  82   5.330  -8.013  -6.949
  638   3HZ   LYS  82          HZ3       LYS  82   3.888  -8.475  -7.704
  639    H    GLN  83           HN       GLN  83   8.408 -13.721  -7.985
  640    HA   GLN  83           HA       GLN  83  10.535 -14.452  -6.119
  641   1HB   GLN  83          HB2       GLN  83  12.035 -14.153  -8.064
  642   2HB   GLN  83          HB3       GLN  83  10.768 -15.336  -8.360
  643   1HG   GLN  83          HG2       GLN  83   9.511 -13.701  -9.641
  644   2HG   GLN  83          HG3       GLN  83  10.735 -12.477  -9.303
  645   1HE2  GLN  83          HE21      GLN  83  12.755 -12.629 -10.301
  646   2HE2  GLN  83          HE22      GLN  83  13.006 -13.599 -11.708
  647    H    GLY  84           HN       GLY  84  11.817 -12.992  -5.132
  648   1HA   GLY  84          HA1       GLY  84  12.671 -10.962  -4.473
  649   2HA   GLY  84          HA2       GLY  84  12.320 -10.380  -6.095
  650    H    GLY  85           HN       GLY  85   9.598 -11.680  -4.584
  651   1HA   GLY  85          HA1       GLY  85   8.211  -9.217  -4.550
  652   2HA   GLY  85          HA2       GLY  85   7.644 -10.725  -3.849
  653    H    ILE  86           HN       ILE  86   7.229 -10.600  -1.750
  654    HA   ILE  86           HA       ILE  86   9.026  -8.989  -0.074
  655    HB   ILE  86           HB       ILE  86   7.127  -8.147   1.225
  656   1HG1  ILE  86          HG12      ILE  86   5.480  -9.510  -0.919
  657   2HG1  ILE  86          HG13      ILE  86   5.512  -9.916   0.794
  658   1HG2  ILE  86          HG21      ILE  86   6.819  -7.515  -1.707
  659   2HG2  ILE  86          HG22      ILE  86   6.416  -6.464  -0.347
  660   3HG2  ILE  86          HG23      ILE  86   8.101  -6.870  -0.683
  661   1HD1  ILE  86          HD11      ILE  86   4.226  -7.617  -0.587
  662   2HD1  ILE  86          HD12      ILE  86   3.575  -8.709   0.634
  663   3HD1  ILE  86          HD13      ILE  86   4.722  -7.454   1.097
  664    H    THR  87           HN       THR  87   8.394  -9.427   2.361
  665    HA   THR  87           HA       THR  87   8.519 -12.332   2.652
  666    HB   THR  87           HB       THR  87  10.279 -10.966   3.713
  667    HG1  THR  87           HG1      THR  87   9.650 -12.992   4.647
  668   1HG2  THR  87          HG21      THR  87   9.791  -9.584   5.642
  669   2HG2  THR  87          HG22      THR  87   8.073  -9.960   5.514
  670   3HG2  THR  87          HG23      THR  87   8.864  -9.008   4.257
  671    H    SER  88           HN       SER  88   7.599 -13.053   4.918
  672    HA   SER  88           HA       SER  88   4.809 -13.019   4.726
  673   1HB   SER  88          HB2       SER  88   4.866 -14.091   6.981
  674   2HB   SER  88          HB3       SER  88   5.962 -14.845   5.825
  675    HG   SER  88           HG       SER  88   7.541 -13.247   6.822
  676    H    ASP  89           HN       ASP  89   6.942 -11.381   7.057
  677    HA   ASP  89           HA       ASP  89   5.079 -10.096   8.612
  678   1HB   ASP  89          HB2       ASP  89   7.726  -8.978   7.663
  679   2HB   ASP  89          HB3       ASP  89   6.802  -8.381   9.038
  680    H    GLN  90           HN       GLN  90   6.157  -9.283   5.386
  681    HA   GLN  90           HA       GLN  90   4.929  -6.719   5.253
  682   1HB   GLN  90          HB2       GLN  90   5.930  -8.652   3.167
  683   2HB   GLN  90          HB3       GLN  90   5.184  -7.122   2.732
  684   1HG   GLN  90          HG2       GLN  90   7.332  -6.916   4.716
  685   2HG   GLN  90          HG3       GLN  90   7.839  -7.509   3.136
  686   1HE2  GLN  90          HE21      GLN  90   5.815  -6.036   1.690
  687   2HE2  GLN  90          HE22      GLN  90   6.303  -4.380   1.706
  688    H    ALA  91           HN       ALA  91   3.979  -9.967   4.252
  689    HA   ALA  91           HA       ALA  91   1.551  -9.260   3.007
  690   1HB   ALA  91          HB1       ALA  91   2.665 -11.374   2.590
  691   2HB   ALA  91          HB2       ALA  91   2.382 -11.872   4.257
  692   3HB   ALA  91          HB3       ALA  91   1.020 -11.645   3.161
  693    H    ALA  92           HN       ALA  92   2.406  -9.708   6.343
  694    HA   ALA  92           HA       ALA  92  -0.171 -10.291   7.355
  695   1HB   ALA  92          HB1       ALA  92   0.762  -9.642   9.535
  696   2HB   ALA  92          HB2       ALA  92   1.811 -10.753   8.653
  697   3HB   ALA  92          HB3       ALA  92   2.202  -9.033   8.718
  698    H    VAL  93           HN       VAL  93   1.554  -7.220   6.887
  699    HA   VAL  93           HA       VAL  93  -0.661  -5.745   8.028
  700    HB   VAL  93           HB       VAL  93   2.063  -5.231   7.779
  701   1HG1  VAL  93          HG11      VAL  93   2.173  -3.055   6.663
  702   2HG1  VAL  93          HG12      VAL  93   1.750  -4.343   5.537
  703   3HG1  VAL  93          HG13      VAL  93   0.504  -3.244   6.130
  704   1HG2  VAL  93          HG21      VAL  93   0.783  -4.569   9.663
  705   2HG2  VAL  93          HG22      VAL  93   1.431  -3.098   8.941
  706   3HG2  VAL  93          HG23      VAL  93  -0.255  -3.540   8.678
  707    H    ILE  94           HN       ILE  94   0.558  -6.515   4.833
  708    HA   ILE  94           HA       ILE  94  -1.043  -4.531   3.506
  709    HB   ILE  94           HB       ILE  94   0.278  -6.965   2.296
  710   1HG1  ILE  94          HG12      ILE  94   1.333  -4.134   2.376
  711   2HG1  ILE  94          HG13      ILE  94   1.809  -5.365   3.541
  712   1HG2  ILE  94          HG21      ILE  94   0.179  -5.628   0.215
  713   2HG2  ILE  94          HG22      ILE  94  -1.418  -6.025   0.851
  714   3HG2  ILE  94          HG23      ILE  94  -0.755  -4.406   1.077
  715   1HD1  ILE  94          HD11      ILE  94   3.472  -5.195   1.829
  716   2HD1  ILE  94          HD12      ILE  94   2.641  -6.743   1.669
  717   3HD1  ILE  94          HD13      ILE  94   2.256  -5.417   0.569
  718    H    SER  95           HN       SER  95  -1.426  -7.942   4.325
  719    HA   SER  95           HA       SER  95  -3.669  -8.494   2.725
  720   1HB   SER  95          HB2       SER  95  -2.395 -10.254   3.886
  721   2HB   SER  95          HB3       SER  95  -2.972  -9.648   5.439
  722    HG   SER  95           HG       SER  95  -4.487 -11.085   5.065
  723    H    LYS  96           HN       LYS  96  -3.308  -6.467   5.389
  724    HA   LYS  96           HA       LYS  96  -6.047  -6.577   6.310
  725   1HB   LYS  96          HB2       LYS  96  -3.846  -4.630   7.025
  726   2HB   LYS  96          HB3       LYS  96  -5.346  -4.885   7.905
  727   1HG   LYS  96          HG2       LYS  96  -4.680  -6.972   8.687
  728   2HG   LYS  96          HG3       LYS  96  -3.396  -7.115   7.488
  729   1HD   LYS  96          HD2       LYS  96  -2.283  -6.628   9.492
  730   2HD   LYS  96          HD3       LYS  96  -2.343  -5.088   8.631
  731   1HE   LYS  96          HE2       LYS  96  -4.357  -4.490   9.952
  732   2HE   LYS  96          HE3       LYS  96  -4.154  -5.983  10.868
  733   1HZ   LYS  96          HZ1       LYS  96  -3.198  -4.097  12.029
  734   2HZ   LYS  96          HZ2       LYS  96  -2.179  -3.770  10.719
  735   3HZ   LYS  96          HZ3       LYS  96  -1.989  -5.200  11.600
  736    H    PHE  97           HN       PHE  97  -4.724  -5.378   3.625
  737    HA   PHE  97           HA       PHE  97  -5.253  -2.751   3.319
  738   1HB   PHE  97          HB2       PHE  97  -5.947  -3.413   0.883
  739   2HB   PHE  97          HB3       PHE  97  -4.299  -3.631   1.452
  740    HD1  PHE  97           HD1      PHE  97  -3.886  -5.195  -0.347
  741    HD2  PHE  97           HD2      PHE  97  -6.878  -5.974   2.575
  742    HE1  PHE  97           HE1      PHE  97  -3.941  -7.556  -1.040
  743    HE2  PHE  97           HE2      PHE  97  -6.935  -8.334   1.891
  744    HZ   PHE  97           HZ       PHE  97  -5.467  -9.128   0.083
  745    H    TRP  98           HN       TRP  98  -7.792  -5.110   3.822
  746    HA   TRP  98           HA       TRP  98  -9.666  -2.884   3.571
  747   1HB   TRP  98          HB2       TRP  98 -11.353  -4.448   2.472
  748   2HB   TRP  98          HB3       TRP  98 -10.063  -3.808   1.468
  749    HD1  TRP  98           HD1      TRP  98  -9.006  -5.526  -0.059
  750    HE1  TRP  98           HE1      TRP  98  -8.752  -8.082  -0.094
  751    HE3  TRP  98           HE3      TRP  98 -11.185  -6.637   4.443
  752    HZ2  TRP  98           HZ2      TRP  98  -9.385 -10.277   1.553
  753    HZ3  TRP  98           HZ3      TRP  98 -11.319  -8.993   5.131
  754    HH2  TRP  98           HH2      TRP  98 -10.440 -10.776   3.715
  755    H    LYS  99           HN       LYS  99  -8.502  -5.074   5.590
  756    HA   LYS  99           HA       LYS  99 -10.827  -6.273   6.671
  757   1HB   LYS  99          HB2       LYS  99  -9.453  -6.792   8.620
  758   2HB   LYS  99          HB3       LYS  99  -8.593  -7.150   7.134
  759   1HG   LYS  99          HG2       LYS  99  -6.961  -6.151   8.402
  760   2HG   LYS  99          HG3       LYS  99  -7.559  -4.798   7.444
  761   1HD   LYS  99          HD2       LYS  99  -7.218  -4.222   9.824
  762   2HD   LYS  99          HD3       LYS  99  -8.889  -4.015   9.304
  763   1HE   LYS  99          HE2       LYS  99  -9.476  -6.153  10.310
  764   2HE   LYS  99          HE3       LYS  99  -7.801  -6.394  10.804
  765   1HZ   LYS  99          HZ1       LYS  99  -9.564  -4.188  11.724
  766   2HZ   LYS  99          HZ2       LYS  99  -7.968  -4.447  12.215
  767   3HZ   LYS  99          HZ3       LYS  99  -9.169  -5.565  12.623
  768    H    SER 100           HN       SER 100  -9.679  -3.094   6.732
  769    HA   SER 100           HA       SER 100 -10.973  -2.379   9.227
  770   1HB   SER 100          HB2       SER 100  -8.882  -1.256   8.643
  771   2HB   SER 100          HB3       SER 100  -9.597  -0.666   7.142
  772    HG   SER 100           HG       SER 100 -10.482  -0.031   9.766
  773    H    HIS 101           HN       HIS 101 -11.800  -2.684   5.952
  774    HA   HIS 101           HA       HIS 101 -14.259  -1.123   6.401
  775   1HB   HIS 101          HB2       HIS 101 -12.720  -1.426   3.816
  776   2HB   HIS 101          HB3       HIS 101 -14.280  -0.626   3.972
  777    HD1  HIS 101           HD1      HIS 101 -14.310   1.703   5.108
  778    HD2  HIS 101           HD2      HIS 101 -10.520   0.049   4.705
  779    HE1  HIS 101           HE1      HIS 101 -12.704   3.582   5.568
  780    HE2  HIS 101           HE2      HIS 101 -10.416   2.573   5.258
  781    H    LYS 102           HN       LYS 102 -13.415  -4.089   6.568
  782    HA   LYS 102           HA       LYS 102 -15.821  -5.081   5.230
  783   1HB   LYS 102          HB2       LYS 102 -13.383  -5.452   4.038
  784   2HB   LYS 102          HB3       LYS 102 -13.518  -6.911   5.008
  785   1HG   LYS 102          HG2       LYS 102 -15.574  -5.963   3.021
  786   2HG   LYS 102          HG3       LYS 102 -14.353  -7.198   2.713
  787   1HD   LYS 102          HD2       LYS 102 -15.298  -8.579   4.498
  788   2HD   LYS 102          HD3       LYS 102 -16.511  -7.339   4.819
  789   1HE   LYS 102          HE2       LYS 102 -17.388  -7.617   2.547
  790   2HE   LYS 102          HE3       LYS 102 -16.179  -8.862   2.237
  791   1HZ   LYS 102          HZ1       LYS 102 -18.320  -9.006   4.289
  792   2HZ   LYS 102          HZ2       LYS 102 -17.164 -10.204   3.989
  793   3HZ   LYS 102          HZ3       LYS 102 -18.316  -9.827   2.809
  794    H    THR 103           HN       THR 103 -15.229  -4.537   7.971
  795    HA   THR 103           HA       THR 103 -15.671  -7.219   9.060
  796    HB   THR 103           HB       THR 103 -14.286  -6.649  11.061
  797    HG1  THR 103           HG1      THR 103 -13.846  -4.356   9.513
  798   1HG2  THR 103          HG21      THR 103 -13.404  -8.098   9.294
  799   2HG2  THR 103          HG22      THR 103 -12.127  -7.109  10.003
  800   3HG2  THR 103          HG23      THR 103 -12.802  -6.684   8.429
  801    H    LYS 104           HN       LYS 104 -15.516  -3.780  10.012
  802    HA   LYS 104           HA       LYS 104 -17.939  -4.177  11.620
  803   1HB   LYS 104          HB2       LYS 104 -15.763  -2.103  11.656
  804   2HB   LYS 104          HB3       LYS 104 -17.315  -1.793  12.420
  805   1HG   LYS 104          HG2       LYS 104 -15.898  -2.561  14.128
  806   2HG   LYS 104          HG3       LYS 104 -16.954  -3.918  13.735
  807   1HD   LYS 104          HD2       LYS 104 -14.745  -4.783  13.964
  808   2HD   LYS 104          HD3       LYS 104 -15.129  -4.783  12.242
  809   1HE   LYS 104          HE2       LYS 104 -12.853  -3.974  12.674
  810   2HE   LYS 104          HE3       LYS 104 -13.865  -2.734  11.934
  811   1HZ   LYS 104          HZ1       LYS 104 -14.183  -1.739  14.109
  812   2HZ   LYS 104          HZ2       LYS 104 -12.535  -1.840  13.743
  813   3HZ   LYS 104          HZ3       LYS 104 -13.228  -2.936  14.829
  814    H    ILE 105           HN       ILE 105 -17.725  -3.864   8.650
  815    HA   ILE 105           HA       ILE 105 -18.764  -1.308   7.955
  816    HB   ILE 105           HB       ILE 105 -19.559  -3.226   6.000
  817   1HG1  ILE 105          HG12      ILE 105 -17.133  -3.979   5.497
  818   2HG1  ILE 105          HG13      ILE 105 -16.863  -3.700   7.213
  819   1HG2  ILE 105          HG21      ILE 105 -17.952  -2.001   4.612
  820   2HG2  ILE 105          HG22      ILE 105 -18.990  -0.924   5.546
  821   3HG2  ILE 105          HG23      ILE 105 -17.327  -1.210   6.059
  822   1HD1  ILE 105          HD11      ILE 105 -17.374  -6.035   6.745
  823   2HD1  ILE 105          HD12      ILE 105 -18.619  -5.299   7.753
  824   3HD1  ILE 105          HD13      ILE 105 -18.916  -5.559   6.035
  825    H    ARG 106           HN       ARG 106 -20.399  -4.466   7.635
  826    HA   ARG 106           HA       ARG 106 -22.974  -3.337   7.503
  827   1HB   ARG 106          HB2       ARG 106 -22.336  -5.605   6.671
  828   2HB   ARG 106          HB3       ARG 106 -22.254  -6.152   8.338
  829   1HG   ARG 106          HG2       ARG 106 -24.621  -5.665   8.629
  830   2HG   ARG 106          HG3       ARG 106 -24.712  -5.078   6.967
  831   1HD   ARG 106          HD2       ARG 106 -24.072  -7.300   6.156
  832   2HD   ARG 106          HD3       ARG 106 -23.992  -7.882   7.818
  833    HE   ARG 106           HE       ARG 106 -26.535  -6.749   7.044
  834   1HH1  ARG 106          HH12      ARG 106 -24.593  -9.635   7.278
  835   2HH1  ARG 106          HH11      ARG 106 -25.954 -10.706   7.265
  836   1HH2  ARG 106          HH22      ARG 106 -28.333  -8.156   7.028
  837   2HH2  ARG 106          HH21      ARG 106 -28.078  -9.866   7.127
  838    H    GLU 107           HN       GLU 107 -20.892  -3.967  10.130
  839    HA   GLU 107           HA       GLU 107 -21.081  -3.707  12.379
  840   1HB   GLU 107          HB2       GLU 107 -23.541  -2.190  11.519
  841   2HB   GLU 107          HB3       GLU 107 -22.979  -2.252  13.186
  842   1HG   GLU 107          HG2       GLU 107 -20.835  -1.263  12.455
  843   2HG   GLU 107          HG3       GLU 107 -21.496  -1.117  10.825
  844    H    SER 108           HN       SER 108 -22.715  -5.840  10.770
  845    HA   SER 108           HA       SER 108 -24.067  -7.612  11.225
  846   1HB   SER 108          HB2       SER 108 -22.358  -8.065  12.917
  847   2HB   SER 108          HB3       SER 108 -23.192  -7.018  14.063
  848    HG   SER 108           HG       SER 108 -23.564  -9.449  14.060
  Start of MODEL   13
    1   1H    MET   1          H1        MET   1  18.768 -10.236   2.714
    2   2H    MET   1          H2        MET   1  19.800 -11.575   2.637
    3   3H    MET   1          H3        MET   1  18.886 -11.292   4.031
    4    HA   MET   1           HA       MET   1  17.808 -11.967   1.357
    5   1HB   MET   1          HB2       MET   1  18.937 -13.848   2.488
    6   2HB   MET   1          HB3       MET   1  17.921 -13.602   3.901
    7   1HG   MET   1          HG2       MET   1  17.111 -15.454   2.578
    8   2HG   MET   1          HG3       MET   1  15.942 -14.134   2.574
    9   1HE   MET   1          HE1       MET   1  18.733 -15.117  -0.967
   10   2HE   MET   1          HE2       MET   1  19.303 -14.370   0.525
   11   3HE   MET   1          HE3       MET   1  18.703 -16.029   0.542
   12    H    ALA   2           HN       ALA   2  15.918 -11.011   1.072
   13    HA   ALA   2           HA       ALA   2  13.851 -10.134   1.432
   14   1HB   ALA   2          HB1       ALA   2  13.349 -12.432   2.113
   15   2HB   ALA   2          HB2       ALA   2  13.813 -12.042   3.770
   16   3HB   ALA   2          HB3       ALA   2  12.410 -11.262   3.040
   17    H    ALA   3           HN       ALA   3  12.388  -9.390   3.560
   18    HA   ALA   3           HA       ALA   3  12.110  -7.777   5.137
   19   1HB   ALA   3          HB1       ALA   3  13.791  -7.517   6.865
   20   2HB   ALA   3          HB2       ALA   3  13.559  -9.226   6.490
   21   3HB   ALA   3          HB3       ALA   3  14.974  -8.371   5.874
   22    H    GLY   4           HN       GLY   4  11.847  -5.756   4.482
   23   1HA   GLY   4          HA1       GLY   4  14.086  -4.394   3.142
   24   2HA   GLY   4          HA2       GLY   4  12.390  -3.962   2.985
   25    H    GLU   5           HN       GLU   5  13.892  -1.889   3.424
   26    HA   GLU   5           HA       GLU   5  13.464  -1.256   6.263
   27   1HB   GLU   5          HB2       GLU   5  15.871  -1.646   5.861
   28   2HB   GLU   5          HB3       GLU   5  15.854  -0.400   4.621
   29   1HG   GLU   5          HG2       GLU   5  15.230   1.259   6.316
   30   2HG   GLU   5          HG3       GLU   5  15.302   0.003   7.552
   31    H    LEU   6           HN       LEU   6  11.780   0.102   6.181
   32    HA   LEU   6           HA       LEU   6  12.024   2.478   4.466
   33   1HB   LEU   6          HB2       LEU   6   9.434   1.013   4.963
   34   2HB   LEU   6          HB3       LEU   6   9.665   2.422   3.949
   35    HG   LEU   6           HG       LEU   6  11.262   0.868   2.593
   36   1HD1  LEU   6          HD11      LEU   6   9.558  -1.126   4.080
   37   2HD1  LEU   6          HD12      LEU   6  10.502  -1.489   2.635
   38   3HD1  LEU   6          HD13      LEU   6  11.316  -0.996   4.119
   39   1HD2  LEU   6          HD21      LEU   6   9.379   0.151   1.219
   40   2HD2  LEU   6          HD22      LEU   6   8.268   0.512   2.539
   41   3HD2  LEU   6          HD23      LEU   6   9.169   1.815   1.764
   42    H    GLU   7           HN       GLU   7   9.721   1.217   6.864
   43    HA   GLU   7           HA       GLU   7  10.387   3.362   8.708
   44   1HB   GLU   7          HB2       GLU   7   7.574   3.363   8.680
   45   2HB   GLU   7          HB3       GLU   7   8.649   4.663   8.190
   46   1HG   GLU   7          HG2       GLU   7   7.187   4.329   6.391
   47   2HG   GLU   7          HG3       GLU   7   8.708   3.586   5.909
   48    H    GLY   8           HN       GLY   8   9.297   0.250   8.004
   49   1HA   GLY   8          HA1       GLY   8   9.666  -1.166  10.121
   50   2HA   GLY   8          HA2       GLY   8   8.350  -0.190  10.756
   51    H    GLY   9           HN       GLY   9   7.750  -2.665  10.938
   52   1HA   GLY   9          HA1       GLY   9   6.608  -3.762   8.517
   53   2HA   GLY   9          HA2       GLY   9   6.542  -4.478  10.121
   54    H    LYS  10           HN       LYS  10   5.555  -1.742  11.087
   55    HA   LYS  10           HA       LYS  10   2.750  -2.363  10.714
   56   1HB   LYS  10          HB2       LYS  10   3.553  -1.883  12.964
   57   2HB   LYS  10          HB3       LYS  10   4.099  -0.294  12.454
   58   1HG   LYS  10          HG2       LYS  10   2.013  -0.138  13.673
   59   2HG   LYS  10          HG3       LYS  10   1.793   0.361  11.996
   60   1HD   LYS  10          HD2       LYS  10  -0.074  -1.004  12.621
   61   2HD   LYS  10          HD3       LYS  10   0.929  -1.928  11.503
   62   1HE   LYS  10          HE2       LYS  10   1.316  -2.199  14.458
   63   2HE   LYS  10          HE3       LYS  10   0.006  -3.062  13.656
   64   1HZ   LYS  10          HZ1       LYS  10   2.895  -3.281  13.001
   65   2HZ   LYS  10          HZ2       LYS  10   1.650  -4.082  12.185
   66   3HZ   LYS  10          HZ3       LYS  10   1.966  -4.441  13.807
   67    HA   PRO  11           HA       PRO  11   2.844   2.263   9.109
   68   1HB   PRO  11          HB2       PRO  11   5.593   2.410   8.040
   69   2HB   PRO  11          HB3       PRO  11   4.660   3.624   8.921
   70   1HG   PRO  11          HG2       PRO  11   6.686   2.315  10.078
   71   2HG   PRO  11          HG3       PRO  11   5.225   2.746  10.986
   72   1HD   PRO  11          HD2       PRO  11   6.039   0.103   9.844
   73   2HD   PRO  11          HD3       PRO  11   5.243   0.468  11.388
   74    H    LEU  12           HN       LEU  12   4.535  -0.428   7.654
   75    HA   LEU  12           HA       LEU  12   4.293   0.300   4.955
   76   1HB   LEU  12          HB2       LEU  12   5.671  -1.586   5.807
   77   2HB   LEU  12          HB3       LEU  12   4.198  -2.490   6.105
   78    HG   LEU  12           HG       LEU  12   3.847  -1.916   3.498
   79   1HD1  LEU  12          HD11      LEU  12   5.929  -2.167   2.294
   80   2HD1  LEU  12          HD12      LEU  12   5.987  -0.738   3.329
   81   3HD1  LEU  12          HD13      LEU  12   6.826  -2.211   3.815
   82   1HD2  LEU  12          HD21      LEU  12   3.690  -4.125   4.476
   83   2HD2  LEU  12          HD22      LEU  12   4.708  -4.176   3.037
   84   3HD2  LEU  12          HD23      LEU  12   5.445  -4.205   4.637
   85    H    SER  13           HN       SER  13   1.921  -0.641   7.233
   86    HA   SER  13           HA       SER  13  -0.003  -1.732   5.462
   87   1HB   SER  13          HB2       SER  13  -1.607  -1.358   7.267
   88   2HB   SER  13          HB3       SER  13  -0.107  -2.017   7.917
   89    HG   SER  13           HG       SER  13  -1.317   0.162   8.681
   90    H    GLY  14           HN       GLY  14   0.966   1.491   6.277
   91   1HA   GLY  14          HA1       GLY  14  -1.354   2.667   4.946
   92   2HA   GLY  14          HA2       GLY  14  -0.104   3.541   5.824
   93    H    LEU  15           HN       LEU  15   0.993   1.158   3.626
   94    HA   LEU  15           HA       LEU  15   2.449   2.993   2.062
   95   1HB   LEU  15          HB2       LEU  15   2.281   0.211   2.334
   96   2HB   LEU  15          HB3       LEU  15   1.892   0.526   0.659
   97    HG   LEU  15           HG       LEU  15   4.242   0.076   0.839
   98   1HD1  LEU  15          HD11      LEU  15   3.550   2.945   0.315
   99   2HD1  LEU  15          HD12      LEU  15   5.182   2.317   0.091
  100   3HD1  LEU  15          HD13      LEU  15   3.846   1.646  -0.841
  101   1HD2  LEU  15          HD21      LEU  15   4.166   2.141   3.007
  102   2HD2  LEU  15          HD22      LEU  15   4.791   0.495   3.058
  103   3HD2  LEU  15          HD23      LEU  15   5.662   1.738   2.165
  104    H    LEU  16           HN       LEU  16  -0.263   0.918   1.067
  105    HA   LEU  16           HA       LEU  16  -0.751   2.141  -1.388
  106   1HB   LEU  16          HB2       LEU  16  -2.964   0.974   0.281
  107   2HB   LEU  16          HB3       LEU  16  -2.790   0.957  -1.463
  108    HG   LEU  16           HG       LEU  16  -2.340  -1.231  -0.943
  109   1HD1  LEU  16          HD11      LEU  16   0.019  -1.645  -1.199
  110   2HD1  LEU  16          HD12      LEU  16  -0.455  -0.275  -2.203
  111   3HD1  LEU  16          HD13      LEU  16   0.397  -0.002  -0.683
  112   1HD2  LEU  16          HD21      LEU  16  -1.771  -2.045   1.071
  113   2HD2  LEU  16          HD22      LEU  16  -0.483  -0.864   1.307
  114   3HD2  LEU  16          HD23      LEU  16  -2.159  -0.416   1.622
  115    H    ASN  17           HN       ASN  17  -1.415   3.189   1.795
  116    HA   ASN  17           HA       ASN  17  -3.551   4.990   1.190
  117   1HB   ASN  17          HB2       ASN  17  -1.720   4.599   3.546
  118   2HB   ASN  17          HB3       ASN  17  -2.834   5.964   3.480
  119   1HD2  ASN  17          HD21      ASN  17  -3.550   2.836   2.099
  120   2HD2  ASN  17          HD22      ASN  17  -4.780   2.403   3.231
  121    H    ALA  18           HN       ALA  18  -0.096   5.467   1.940
  122    HA   ALA  18           HA       ALA  18  -0.066   8.237   1.363
  123   1HB   ALA  18          HB1       ALA  18   1.670   7.420   2.721
  124   2HB   ALA  18          HB2       ALA  18   2.105   6.168   1.557
  125   3HB   ALA  18          HB3       ALA  18   2.436   7.862   1.197
  126    H    LEU  19           HN       LEU  19   0.673   5.363  -0.527
  127    HA   LEU  19           HA       LEU  19   1.763   6.503  -2.804
  128   1HB   LEU  19          HB2       LEU  19   0.052   4.041  -2.484
  129   2HB   LEU  19          HB3       LEU  19   0.894   4.450  -3.965
  130    HG   LEU  19           HG       LEU  19   2.259   3.970  -1.318
  131   1HD1  LEU  19          HD11      LEU  19   1.217   1.923  -2.081
  132   2HD1  LEU  19          HD12      LEU  19   1.919   2.136  -3.687
  133   3HD1  LEU  19          HD13      LEU  19   2.963   1.830  -2.299
  134   1HD2  LEU  19          HD21      LEU  19   3.499   5.431  -2.821
  135   2HD2  LEU  19          HD22      LEU  19   4.289   3.861  -2.676
  136   3HD2  LEU  19          HD23      LEU  19   3.345   4.245  -4.116
  137    H    ALA  20           HN       ALA  20  -1.365   6.908  -1.615
  138    HA   ALA  20           HA       ALA  20  -2.859   7.053  -4.000
  139   1HB   ALA  20          HB1       ALA  20  -3.865   6.886  -1.759
  140   2HB   ALA  20          HB2       ALA  20  -3.346   8.537  -1.422
  141   3HB   ALA  20          HB3       ALA  20  -4.524   8.227  -2.696
  142    H    GLN  21           HN       GLN  21  -1.514   8.185  -5.484
  143    HA   GLN  21           HA       GLN  21  -0.956  10.991  -4.970
  144   1HB   GLN  21          HB2       GLN  21  -0.368   9.218  -7.347
  145   2HB   GLN  21          HB3       GLN  21   0.079  10.915  -7.254
  146   1HG   GLN  21          HG2       GLN  21   1.433  10.399  -5.245
  147   2HG   GLN  21          HG3       GLN  21   1.058   8.691  -5.479
  148   1HE2  GLN  21          HE21      GLN  21   3.627  10.111  -5.525
  149   2HE2  GLN  21          HE22      GLN  21   4.335   9.754  -7.061
  150    H    ASP  22           HN       ASP  22  -2.810   9.063  -7.314
  151    HA   ASP  22           HA       ASP  22  -4.552  11.398  -7.723
  152   1HB   ASP  22          HB2       ASP  22  -3.098  11.195  -9.678
  153   2HB   ASP  22          HB3       ASP  22  -3.555   9.505  -9.865
  154    H    THR  23           HN       THR  23  -6.352  10.792  -6.677
  155    HA   THR  23           HA       THR  23  -7.256   8.141  -6.374
  156    HB   THR  23           HB       THR  23  -9.410   9.172  -5.645
  157    HG1  THR  23           HG1      THR  23  -8.945  11.084  -7.142
  158   1HG2  THR  23          HG21      THR  23  -7.585   8.841  -4.052
  159   2HG2  THR  23          HG22      THR  23  -8.486  10.311  -3.682
  160   3HG2  THR  23          HG23      THR  23  -6.917  10.414  -4.481
  161    H    PHE  24           HN       PHE  24  -8.461  10.754  -8.488
  162    HA   PHE  24           HA       PHE  24  -9.074   8.916 -10.586
  163   1HB   PHE  24          HB2       PHE  24 -10.989   8.469  -9.107
  164   2HB   PHE  24          HB3       PHE  24 -11.396  10.182  -9.112
  165    HD1  PHE  24           HD1      PHE  24 -11.026   7.232 -11.336
  166    HD2  PHE  24           HD2      PHE  24 -12.799  11.057 -10.747
  167    HE1  PHE  24           HE1      PHE  24 -12.424   6.886 -13.331
  168    HE2  PHE  24           HE2      PHE  24 -14.202  10.719 -12.740
  169    HZ   PHE  24           HZ       PHE  24 -14.015   8.630 -14.035
  170    H    HIS  25           HN       HIS  25  -9.673  12.113  -9.198
  171    HA   HIS  25           HA       HIS  25  -9.310  13.259 -11.887
  172   1HB   HIS  25          HB2       HIS  25 -10.815  15.096 -11.214
  173   2HB   HIS  25          HB3       HIS  25 -11.628  13.535 -11.184
  174    HD1  HIS  25           HD1      HIS  25 -12.306  12.596  -8.863
  175    HD2  HIS  25           HD2      HIS  25 -10.554  16.361  -8.740
  176    HE1  HIS  25           HE1      HIS  25 -12.759  13.472  -6.550
  177    HE2  HIS  25           HE2      HIS  25 -11.742  15.778  -6.518
  178    H    GLY  26           HN       GLY  26  -7.999  12.930  -8.876
  179   1HA   GLY  26          HA1       GLY  26  -5.752  14.325  -9.078
  180   2HA   GLY  26          HA2       GLY  26  -6.881  15.620  -8.704
  181    H    TYR  27           HN       TYR  27  -5.227  15.728  -6.879
  182    HA   TYR  27           HA       TYR  27  -5.958  13.875  -4.718
  183   1HB   TYR  27          HB2       TYR  27  -3.863  14.619  -3.621
  184   2HB   TYR  27          HB3       TYR  27  -3.578  13.888  -5.195
  185    HD1  TYR  27           HD1      TYR  27  -2.906  15.286  -7.108
  186    HD2  TYR  27           HD2      TYR  27  -3.373  16.937  -3.215
  187    HE1  TYR  27           HE1      TYR  27  -1.655  17.282  -7.812
  188    HE2  TYR  27           HE2      TYR  27  -2.123  18.939  -3.908
  189    HH   TYR  27           HH       TYR  27  -0.474  19.581  -5.617
  190    HA   PRO  28           HA       PRO  28  -7.953  17.375  -2.806
  191   1HB   PRO  28          HB2       PRO  28  -8.799  16.203  -0.565
  192   2HB   PRO  28          HB3       PRO  28  -9.466  15.745  -2.137
  193   1HG   PRO  28          HG2       PRO  28  -7.418  14.347  -0.467
  194   2HG   PRO  28          HG3       PRO  28  -8.756  13.663  -1.405
  195   1HD   PRO  28          HD2       PRO  28  -6.119  13.783  -2.252
  196   2HD   PRO  28          HD3       PRO  28  -7.522  13.606  -3.321
  197    H    GLY  29           HN       GLY  29  -5.507  15.483  -1.111
  198   1HA   GLY  29          HA1       GLY  29  -4.199  17.820  -0.133
  199   2HA   GLY  29          HA2       GLY  29  -5.089  17.013   1.149
  200    H    ILE  30           HN       ILE  30  -3.564  15.342  -1.527
  201    HA   ILE  30           HA       ILE  30  -1.426  14.438   0.265
  202    HB   ILE  30           HB       ILE  30  -3.002  12.668   0.404
  203   1HG1  ILE  30          HG12      ILE  30  -1.155  11.633  -1.726
  204   2HG1  ILE  30          HG13      ILE  30  -0.509  12.175  -0.179
  205   1HG2  ILE  30          HG21      ILE  30  -3.978  11.555  -1.523
  206   2HG2  ILE  30          HG22      ILE  30  -4.377  13.272  -1.522
  207   3HG2  ILE  30          HG23      ILE  30  -3.130  12.657  -2.607
  208   1HD1  ILE  30          HD11      ILE  30  -0.831   9.803  -0.123
  209   2HD1  ILE  30          HD12      ILE  30  -2.004  10.562   0.952
  210   3HD1  ILE  30          HD13      ILE  30  -2.510   9.977  -0.633
  211    H    THR  31           HN       THR  31   0.117  15.624  -0.781
  212    HA   THR  31           HA       THR  31   0.424  15.524  -3.646
  213    HB   THR  31           HB       THR  31   2.371  16.636  -1.615
  214    HG1  THR  31           HG1      THR  31   1.259  18.560  -1.802
  215   1HG2  THR  31          HG21      THR  31   3.381  16.424  -3.781
  216   2HG2  THR  31          HG22      THR  31   2.985  18.125  -3.534
  217   3HG2  THR  31          HG23      THR  31   1.965  17.123  -4.567
  218    H    GLU  32           HN       GLU  32   2.414  14.790  -4.692
  219    HA   GLU  32           HA       GLU  32   3.080  12.164  -4.045
  220   1HB   GLU  32          HB2       GLU  32   4.676  14.127  -5.703
  221   2HB   GLU  32          HB3       GLU  32   4.863  12.378  -5.722
  222   1HG   GLU  32          HG2       GLU  32   2.585  12.140  -6.564
  223   2HG   GLU  32          HG3       GLU  32   2.396  13.892  -6.544
  224    H    GLU  33           HN       GLU  33   4.915  15.162  -3.482
  225    HA   GLU  33           HA       GLU  33   7.118  13.927  -2.225
  226   1HB   GLU  33          HB2       GLU  33   6.050  16.732  -1.843
  227   2HB   GLU  33          HB3       GLU  33   7.647  16.171  -1.368
  228   1HG   GLU  33          HG2       GLU  33   8.186  15.731  -3.711
  229   2HG   GLU  33          HG3       GLU  33   6.587  16.308  -4.181
  230    H    LEU  34           HN       LEU  34   3.929  14.413  -1.220
  231    HA   LEU  34           HA       LEU  34   4.477  14.488   1.618
  232   1HB   LEU  34          HB2       LEU  34   2.527  15.631   0.519
  233   2HB   LEU  34          HB3       LEU  34   1.838  14.043   0.233
  234    HG   LEU  34           HG       LEU  34   1.932  13.684   2.740
  235   1HD1  LEU  34          HD11      LEU  34   2.415  16.660   2.690
  236   2HD1  LEU  34          HD12      LEU  34   1.986  15.716   4.117
  237   3HD1  LEU  34          HD13      LEU  34   3.522  15.430   3.300
  238   1HD2  LEU  34          HD21      LEU  34  -0.135  14.898   3.102
  239   2HD2  LEU  34          HD22      LEU  34   0.194  15.912   1.698
  240   3HD2  LEU  34          HD23      LEU  34  -0.114  14.189   1.487
  241    H    LEU  35           HN       LEU  35   3.257  12.157  -0.753
  242    HA   LEU  35           HA       LEU  35   2.433  10.090   0.800
  243   1HB   LEU  35          HB2       LEU  35   2.558   8.810  -1.080
  244   2HB   LEU  35          HB3       LEU  35   2.677  10.397  -1.795
  245    HG   LEU  35           HG       LEU  35   5.284   9.912  -1.524
  246   1HD1  LEU  35          HD11      LEU  35   4.131   7.165  -1.967
  247   2HD1  LEU  35          HD12      LEU  35   5.834   7.615  -1.901
  248   3HD1  LEU  35          HD13      LEU  35   4.840   7.708  -0.447
  249   1HD2  LEU  35          HD21      LEU  35   4.080  10.453  -3.599
  250   2HD2  LEU  35          HD22      LEU  35   5.295   9.198  -3.840
  251   3HD2  LEU  35          HD23      LEU  35   3.588   8.765  -3.738
  252    H    ARG  36           HN       ARG  36   5.724  11.115   0.232
  253    HA   ARG  36           HA       ARG  36   6.930   8.787   1.388
  254   1HB   ARG  36          HB2       ARG  36   8.317   9.882  -0.132
  255   2HB   ARG  36          HB3       ARG  36   7.918  11.474   0.498
  256   1HG   ARG  36          HG2       ARG  36   9.171  10.858   2.581
  257   2HG   ARG  36          HG3       ARG  36   9.709   9.398   1.740
  258   1HD   ARG  36          HD2       ARG  36  10.787  10.733   0.042
  259   2HD   ARG  36          HD3       ARG  36  10.147  12.214   0.749
  260    HE   ARG  36           HE       ARG  36  11.705  10.768   2.634
  261   1HH1  ARG  36          HH12      ARG  36  11.944  12.840  -0.157
  262   2HH1  ARG  36          HH11      ARG  36  13.508  13.452   0.268
  263   1HH2  ARG  36          HH22      ARG  36  13.767  11.569   3.205
  264   2HH2  ARG  36          HH21      ARG  36  14.545  12.727   2.179
  265    H    SER  37           HN       SER  37   6.839  12.186   2.454
  266    HA   SER  37           HA       SER  37   7.818  11.784   5.016
  267   1HB   SER  37          HB2       SER  37   7.616  14.005   4.013
  268   2HB   SER  37          HB3       SER  37   5.857  13.886   4.071
  269    HG   SER  37           HG       SER  37   5.894  14.362   6.125
  270    H    GLN  38           HN       GLN  38   4.728  10.994   3.739
  271    HA   GLN  38           HA       GLN  38   3.121  11.189   6.016
  272   1HB   GLN  38          HB2       GLN  38   2.993   9.515   3.536
  273   2HB   GLN  38          HB3       GLN  38   1.847   9.241   4.842
  274   1HG   GLN  38          HG2       GLN  38   2.269  11.859   3.418
  275   2HG   GLN  38          HG3       GLN  38   0.958  10.722   3.108
  276   1HE2  GLN  38          HE21      GLN  38   2.263  13.075   5.300
  277   2HE2  GLN  38          HE22      GLN  38   0.857  13.234   6.293
  278    H    LEU  39           HN       LEU  39   5.074   8.430   4.857
  279    HA   LEU  39           HA       LEU  39   4.924   7.361   7.585
  280   1HB   LEU  39          HB2       LEU  39   4.535   5.728   5.081
  281   2HB   LEU  39          HB3       LEU  39   4.645   5.082   6.709
  282    HG   LEU  39           HG       LEU  39   2.615   6.892   6.978
  283   1HD1  LEU  39          HD11      LEU  39   2.287   5.615   4.267
  284   2HD1  LEU  39          HD12      LEU  39   1.097   6.602   5.114
  285   3HD1  LEU  39          HD13      LEU  39   2.604   7.325   4.555
  286   1HD2  LEU  39          HD21      LEU  39   2.223   4.035   6.125
  287   2HD2  LEU  39          HD22      LEU  39   2.791   4.502   7.730
  288   3HD2  LEU  39          HD23      LEU  39   1.192   5.005   7.178
  289    H    TYR  40           HN       TYR  40   6.593   7.114   4.441
  290    HA   TYR  40           HA       TYR  40   9.006   6.280   5.914
  291   1HB   TYR  40          HB2       TYR  40   9.715   5.775   3.383
  292   2HB   TYR  40          HB3       TYR  40   8.869   4.608   4.379
  293    HD1  TYR  40           HD1      TYR  40   6.524   4.061   3.952
  294    HD2  TYR  40           HD2      TYR  40   8.594   6.919   1.569
  295    HE1  TYR  40           HE1      TYR  40   4.733   3.960   2.275
  296    HE2  TYR  40           HE2      TYR  40   6.811   6.816  -0.114
  297    HH   TYR  40           HH       TYR  40   3.807   5.375   0.478
  298    HA   PRO  41           HA       PRO  41  10.013  10.529   4.469
  299   1HB   PRO  41          HB2       PRO  41  11.092  11.438   6.742
  300   2HB   PRO  41          HB3       PRO  41   9.340  11.352   6.525
  301   1HG   PRO  41          HG2       PRO  41  11.161   9.486   7.994
  302   2HG   PRO  41          HG3       PRO  41   9.564  10.095   8.467
  303   1HD   PRO  41          HD2       PRO  41  10.005   7.626   7.343
  304   2HD   PRO  41          HD3       PRO  41   8.468   8.506   7.242
  305    H    GLU  42           HN       GLU  42  11.708   7.784   5.028
  306    HA   GLU  42           HA       GLU  42  14.340   9.067   4.952
  307   1HB   GLU  42          HB2       GLU  42  15.278   6.884   5.422
  308   2HB   GLU  42          HB3       GLU  42  14.013   7.252   6.585
  309   1HG   GLU  42          HG2       GLU  42  12.502   5.753   5.552
  310   2HG   GLU  42          HG3       GLU  42  13.548   5.564   4.146
  311    H    VAL  43           HN       VAL  43  12.233   6.969   3.053
  312    HA   VAL  43           HA       VAL  43  14.225   6.743   0.948
  313    HB   VAL  43           HB       VAL  43  12.384   4.969   1.723
  314   1HG1  VAL  43          HG11      VAL  43  11.023   6.292  -0.617
  315   2HG1  VAL  43          HG12      VAL  43  10.460   4.903   0.314
  316   3HG1  VAL  43          HG13      VAL  43  10.519   6.499   1.062
  317   1HG2  VAL  43          HG21      VAL  43  13.218   5.328  -1.153
  318   2HG2  VAL  43          HG22      VAL  43  14.199   4.591   0.115
  319   3HG2  VAL  43          HG23      VAL  43  12.694   3.824  -0.394
  320    HA   PRO  44           HA       PRO  44  13.066  10.405  -1.289
  321   1HB   PRO  44          HB2       PRO  44  13.372   8.591  -3.643
  322   2HB   PRO  44          HB3       PRO  44  14.036  10.211  -3.381
  323   1HG   PRO  44          HG2       PRO  44  15.592   8.081  -3.119
  324   2HG   PRO  44          HG3       PRO  44  15.718   9.428  -1.971
  325   1HD   PRO  44          HD2       PRO  44  14.460   6.748  -1.617
  326   2HD   PRO  44          HD3       PRO  44  15.338   7.748  -0.442
  327    HA   PRO  45           HA       PRO  45   8.779   9.740  -2.252
  328   1HB   PRO  45          HB2       PRO  45   8.685  12.231  -3.730
  329   2HB   PRO  45          HB3       PRO  45   8.040  11.872  -2.127
  330   1HG   PRO  45          HG2       PRO  45  10.146  13.552  -2.561
  331   2HG   PRO  45          HG3       PRO  45   9.915  12.634  -1.060
  332   1HD   PRO  45          HD2       PRO  45  11.710  12.050  -3.388
  333   2HD   PRO  45          HD3       PRO  45  12.027  11.879  -1.648
  334    H    GLU  46           HN       GLU  46  11.186  10.093  -4.663
  335    HA   GLU  46           HA       GLU  46   9.269   9.237  -6.733
  336   1HB   GLU  46          HB2       GLU  46  10.254  11.478  -7.137
  337   2HB   GLU  46          HB3       GLU  46  11.853  10.746  -7.150
  338   1HG   GLU  46          HG2       GLU  46  11.039  11.148  -9.404
  339   2HG   GLU  46          HG3       GLU  46  11.257   9.425  -9.098
  340    H    GLU  47           HN       GLU  47  12.524   8.800  -5.423
  341    HA   GLU  47           HA       GLU  47  13.186   6.672  -7.230
  342   1HB   GLU  47          HB2       GLU  47  14.488   7.505  -4.632
  343   2HB   GLU  47          HB3       GLU  47  15.157   6.353  -5.776
  344   1HG   GLU  47          HG2       GLU  47  15.313   8.093  -7.465
  345   2HG   GLU  47          HG3       GLU  47  14.602   9.255  -6.347
  346    H    PHE  48           HN       PHE  48  10.882   6.711  -5.051
  347    HA   PHE  48           HA       PHE  48  11.433   4.314  -3.566
  348   1HB   PHE  48          HB2       PHE  48  10.017   6.107  -2.641
  349   2HB   PHE  48          HB3       PHE  48   8.840   5.831  -3.920
  350    HD1  PHE  48           HD1      PHE  48  10.722   3.461  -1.750
  351    HD2  PHE  48           HD2      PHE  48   6.931   4.982  -2.945
  352    HE1  PHE  48           HE1      PHE  48   9.608   1.776  -0.350
  353    HE2  PHE  48           HE2      PHE  48   5.811   3.299  -1.545
  354    HZ   PHE  48           HZ       PHE  48   7.143   1.694  -0.247
  355    H    ARG  49           HN       ARG  49  10.063   5.096  -6.619
  356    HA   ARG  49           HA       ARG  49   8.264   3.112  -7.147
  357   1HB   ARG  49          HB2       ARG  49  10.378   4.158  -9.018
  358   2HB   ARG  49          HB3       ARG  49   8.931   3.290  -9.509
  359   1HG   ARG  49          HG2       ARG  49   8.791   5.831  -7.928
  360   2HG   ARG  49          HG3       ARG  49   8.896   5.830  -9.691
  361   1HD   ARG  49          HD2       ARG  49   6.759   4.515  -8.014
  362   2HD   ARG  49          HD3       ARG  49   6.578   5.984  -8.972
  363    HE   ARG  49           HE       ARG  49   7.400   4.100 -10.765
  364   1HH1  ARG  49          HH12      ARG  49   4.766   4.352  -8.499
  365   2HH1  ARG  49          HH11      ARG  49   3.689   3.384  -9.447
  366   1HH2  ARG  49          HH22      ARG  49   5.989   2.822 -12.019
  367   2HH2  ARG  49          HH21      ARG  49   4.384   2.511 -11.447
  368    HA   PRO  50           HA       PRO  50  11.925   0.117  -8.550
  369   1HB   PRO  50          HB2       PRO  50  14.055   0.456  -6.750
  370   2HB   PRO  50          HB3       PRO  50  14.060   0.880  -8.462
  371   1HG   PRO  50          HG2       PRO  50  13.630   2.607  -6.081
  372   2HG   PRO  50          HG3       PRO  50  14.397   2.994  -7.632
  373   1HD   PRO  50          HD2       PRO  50  11.929   3.863  -7.023
  374   2HD   PRO  50          HD3       PRO  50  12.367   3.391  -8.678
  375    H    PHE  51           HN       PHE  51  11.520   1.311  -5.249
  376    HA   PHE  51           HA       PHE  51  11.609  -1.308  -4.088
  377   1HB   PHE  51          HB2       PHE  51  11.933   1.173  -3.052
  378   2HB   PHE  51          HB3       PHE  51  10.249   0.884  -2.624
  379    HD1  PHE  51           HD1      PHE  51   9.674  -1.154  -1.271
  380    HD2  PHE  51           HD2      PHE  51  13.677   0.164  -1.866
  381    HE1  PHE  51           HE1      PHE  51  10.399  -2.496   0.659
  382    HE2  PHE  51           HE2      PHE  51  14.409  -1.175   0.061
  383    HZ   PHE  51           HZ       PHE  51  12.770  -2.509   1.329
  384    H    LEU  52           HN       LEU  52   9.199   0.823  -5.422
  385    HA   LEU  52           HA       LEU  52   6.929  -0.529  -4.368
  386   1HB   LEU  52          HB2       LEU  52   7.369   1.474  -6.541
  387   2HB   LEU  52          HB3       LEU  52   5.828   0.652  -6.433
  388    HG   LEU  52           HG       LEU  52   7.073   2.379  -4.294
  389   1HD1  LEU  52          HD11      LEU  52   5.341   3.949  -4.801
  390   2HD1  LEU  52          HD12      LEU  52   6.179   3.556  -6.301
  391   3HD1  LEU  52          HD13      LEU  52   4.603   2.839  -5.958
  392   1HD2  LEU  52          HD21      LEU  52   5.792   0.556  -3.322
  393   2HD2  LEU  52          HD22      LEU  52   4.939   2.087  -3.125
  394   3HD2  LEU  52          HD23      LEU  52   4.423   0.942  -4.364
  395    H    ALA  53           HN       ALA  53   9.161  -1.298  -6.823
  396    HA   ALA  53           HA       ALA  53   7.657  -2.591  -8.741
  397   1HB   ALA  53          HB1       ALA  53  10.305  -3.484  -7.605
  398   2HB   ALA  53          HB2       ALA  53   9.608  -4.023  -9.132
  399   3HB   ALA  53          HB3       ALA  53  10.070  -2.335  -8.922
  400    H    LYS  54           HN       LYS  54   8.055  -3.363  -5.454
  401    HA   LYS  54           HA       LYS  54   6.721  -5.960  -5.832
  402   1HB   LYS  54          HB2       LYS  54   8.547  -5.061  -3.596
  403   2HB   LYS  54          HB3       LYS  54   7.712  -6.608  -3.653
  404   1HG   LYS  54          HG2       LYS  54   8.986  -7.308  -5.545
  405   2HG   LYS  54          HG3       LYS  54   9.692  -5.701  -5.728
  406   1HD   LYS  54          HD2       LYS  54  10.078  -7.470  -3.314
  407   2HD   LYS  54          HD3       LYS  54  11.214  -7.360  -4.659
  408   1HE   LYS  54          HE2       LYS  54  10.366  -5.084  -2.868
  409   2HE   LYS  54          HE3       LYS  54  11.898  -5.950  -2.776
  410   1HZ   LYS  54          HZ1       LYS  54  12.413  -5.181  -5.017
  411   2HZ   LYS  54          HZ2       LYS  54  12.146  -3.877  -3.973
  412   3HZ   LYS  54          HZ3       LYS  54  10.950  -4.331  -5.080
  413    H    MET  55           HN       MET  55   6.432  -2.814  -4.693
  414    HA   MET  55           HA       MET  55   4.132  -3.530  -2.989
  415   1HB   MET  55          HB2       MET  55   6.098  -1.246  -2.704
  416   2HB   MET  55          HB3       MET  55   4.598  -1.370  -1.785
  417   1HG   MET  55          HG2       MET  55   6.291  -2.164  -0.368
  418   2HG   MET  55          HG3       MET  55   5.447  -3.603  -0.938
  419   1HE   MET  55          HE1       MET  55   9.175  -4.793  -0.577
  420   2HE   MET  55          HE2       MET  55   8.296  -3.665   0.456
  421   3HE   MET  55          HE3       MET  55   7.501  -5.125  -0.131
  422    H    ARG  56           HN       ARG  56   4.389  -2.775  -5.958
  423    HA   ARG  56           HA       ARG  56   2.655  -0.396  -5.900
  424   1HB   ARG  56          HB2       ARG  56   3.513   0.323  -7.885
  425   2HB   ARG  56          HB3       ARG  56   4.905  -0.575  -7.306
  426   1HG   ARG  56          HG2       ARG  56   2.840  -1.749  -9.150
  427   2HG   ARG  56          HG3       ARG  56   4.296  -0.929  -9.708
  428   1HD   ARG  56          HD2       ARG  56   5.697  -2.555  -8.646
  429   2HD   ARG  56          HD3       ARG  56   4.312  -3.303  -7.853
  430    HE   ARG  56           HE       ARG  56   4.378  -3.270 -10.774
  431   1HH1  ARG  56          HH12      ARG  56   4.698  -5.055  -7.797
  432   2HH1  ARG  56          HH11      ARG  56   4.551  -6.603  -8.560
  433   1HH2  ARG  56          HH22      ARG  56   4.183  -5.303 -11.783
  434   2HH2  ARG  56          HH21      ARG  56   4.261  -6.744 -10.826
  435    H    GLY  57           HN       GLY  57   2.848  -3.732  -6.788
  436   1HA   GLY  57          HA1       GLY  57   0.715  -3.896  -8.603
  437   2HA   GLY  57          HA2       GLY  57   1.262  -5.203  -7.560
  438    H    ILE  58           HN       ILE  58   0.646  -2.886  -5.441
  439    HA   ILE  58           HA       ILE  58  -2.092  -3.825  -4.962
  440    HB   ILE  58           HB       ILE  58  -0.384  -2.310  -3.008
  441   1HG1  ILE  58          HG12      ILE  58  -0.523  -5.239  -2.710
  442   2HG1  ILE  58          HG13      ILE  58   0.453  -4.678  -4.064
  443   1HG2  ILE  58          HG21      ILE  58  -2.722  -2.460  -2.452
  444   2HG2  ILE  58          HG22      ILE  58  -2.702  -4.207  -2.700
  445   3HG2  ILE  58          HG23      ILE  58  -1.795  -3.496  -1.365
  446   1HD1  ILE  58          HD11      ILE  58   1.768  -5.027  -2.025
  447   2HD1  ILE  58          HD12      ILE  58   1.815  -3.351  -2.574
  448   3HD1  ILE  58          HD13      ILE  58   0.799  -3.803  -1.204
  449    H    LEU  59           HN       LEU  59  -0.143  -0.955  -5.438
  450    HA   LEU  59           HA       LEU  59  -2.128   0.931  -4.671
  451   1HB   LEU  59          HB2       LEU  59   0.274   1.443  -4.683
  452   2HB   LEU  59          HB3       LEU  59   0.311   1.280  -6.425
  453    HG   LEU  59           HG       LEU  59   0.279   3.643  -5.433
  454   1HD1  LEU  59          HD11      LEU  59  -0.100   3.105  -7.813
  455   2HD1  LEU  59          HD12      LEU  59  -1.827   2.973  -7.480
  456   3HD1  LEU  59          HD13      LEU  59  -1.004   4.518  -7.267
  457   1HD2  LEU  59          HD21      LEU  59  -2.658   3.022  -5.149
  458   2HD2  LEU  59          HD22      LEU  59  -1.529   3.211  -3.806
  459   3HD2  LEU  59          HD23      LEU  59  -1.871   4.575  -4.871
  460    H    LYS  60           HN       LYS  60  -0.866   0.118  -7.927
  461    HA   LYS  60           HA       LYS  60  -2.796   1.569  -9.333
  462   1HB   LYS  60          HB2       LYS  60  -1.828   0.747 -11.217
  463   2HB   LYS  60          HB3       LYS  60  -0.575   0.284 -10.078
  464   1HG   LYS  60          HG2       LYS  60  -2.793  -1.546 -10.969
  465   2HG   LYS  60          HG3       LYS  60  -1.199  -1.480 -11.717
  466   1HD   LYS  60          HD2       LYS  60  -0.163  -2.104  -9.602
  467   2HD   LYS  60          HD3       LYS  60  -1.747  -2.132  -8.824
  468   1HE   LYS  60          HE2       LYS  60  -0.956  -4.383  -9.438
  469   2HE   LYS  60          HE3       LYS  60  -2.459  -3.948 -10.250
  470   1HZ   LYS  60          HZ1       LYS  60   0.256  -3.815 -11.453
  471   2HZ   LYS  60          HZ2       LYS  60  -1.188  -3.406 -12.232
  472   3HZ   LYS  60          HZ3       LYS  60  -0.906  -5.006 -11.766
  473    H    SER  61           HN       SER  61  -3.084  -1.339  -7.605
  474    HA   SER  61           HA       SER  61  -5.287  -2.445  -9.073
  475   1HB   SER  61          HB2       SER  61  -4.100  -3.039  -6.359
  476   2HB   SER  61          HB3       SER  61  -5.505  -3.899  -6.992
  477    HG   SER  61           HG       SER  61  -3.598  -5.019  -7.482
  478    H    ILE  62           HN       ILE  62  -5.069  -1.129  -5.775
  479    HA   ILE  62           HA       ILE  62  -7.864  -0.908  -5.431
  480    HB   ILE  62           HB       ILE  62  -5.671   0.545  -3.945
  481   1HG1  ILE  62          HG12      ILE  62  -7.012  -2.099  -3.325
  482   2HG1  ILE  62          HG13      ILE  62  -5.392  -1.923  -3.992
  483   1HG2  ILE  62          HG21      ILE  62  -7.896   1.498  -3.574
  484   2HG2  ILE  62          HG22      ILE  62  -8.508  -0.097  -3.135
  485   3HG2  ILE  62          HG23      ILE  62  -7.297   0.691  -2.125
  486   1HD1  ILE  62          HD11      ILE  62  -5.262  -2.352  -1.633
  487   2HD1  ILE  62          HD12      ILE  62  -4.723  -0.705  -1.959
  488   3HD1  ILE  62          HD13      ILE  62  -6.330  -0.991  -1.291
  489    H    ALA  63           HN       ALA  63  -5.500   1.212  -6.840
  490    HA   ALA  63           HA       ALA  63  -7.162   3.564  -6.640
  491   1HB   ALA  63          HB1       ALA  63  -4.723   3.725  -6.494
  492   2HB   ALA  63          HB2       ALA  63  -4.597   3.168  -8.164
  493   3HB   ALA  63          HB3       ALA  63  -5.379   4.708  -7.803
  494    H    SER  64           HN       SER  64  -5.851   1.709  -9.408
  495    HA   SER  64           HA       SER  64  -7.621   3.076 -11.227
  496   1HB   SER  64          HB2       SER  64  -5.349   2.473 -11.921
  497   2HB   SER  64          HB3       SER  64  -5.737   0.764 -11.722
  498    HG   SER  64           HG       SER  64  -6.044   1.203 -13.852
  499    H    ALA  65           HN       ALA  65  -7.717   0.073  -9.475
  500    HA   ALA  65           HA       ALA  65  -9.992  -0.783 -11.136
  501   1HB   ALA  65          HB1       ALA  65  -8.446  -2.517  -9.228
  502   2HB   ALA  65          HB2       ALA  65  -9.598  -3.024 -10.462
  503   3HB   ALA  65          HB3       ALA  65  -8.043  -2.340 -10.936
  504    H    ASP  66           HN       ASP  66  -8.975  -0.248  -7.793
  505    HA   ASP  66           HA       ASP  66 -10.148  -0.078  -5.844
  506   1HB   ASP  66          HB2       ASP  66 -12.391   0.754  -7.704
  507   2HB   ASP  66          HB3       ASP  66 -12.319   1.061  -5.971
  508    H    MET  67           HN       MET  67 -10.066  -2.359  -5.477
  509    HA   MET  67           HA       MET  67 -12.395  -3.924  -6.270
  510   1HB   MET  67          HB2       MET  67 -10.027  -4.885  -4.672
  511   2HB   MET  67          HB3       MET  67 -11.169  -5.850  -5.599
  512   1HG   MET  67          HG2       MET  67 -10.314  -4.667  -7.653
  513   2HG   MET  67          HG3       MET  67  -9.032  -4.014  -6.636
  514   1HE   MET  67          HE1       MET  67  -7.196  -5.052  -8.255
  515   2HE   MET  67          HE2       MET  67  -7.174  -6.747  -8.743
  516   3HE   MET  67          HE3       MET  67  -8.479  -5.691  -9.283
  517    H    ASP  68           HN       ASP  68 -13.073  -5.577  -4.456
  518    HA   ASP  68           HA       ASP  68 -14.048  -3.939  -2.265
  519   1HB   ASP  68          HB2       ASP  68 -14.718  -6.777  -3.070
  520   2HB   ASP  68          HB3       ASP  68 -15.509  -5.879  -1.777
  521    H    PHE  69           HN       PHE  69 -13.314  -7.385  -2.031
  522    HA   PHE  69           HA       PHE  69 -11.050  -6.974  -0.305
  523   1HB   PHE  69          HB2       PHE  69 -12.054  -7.999   1.695
  524   2HB   PHE  69          HB3       PHE  69 -12.853  -6.490   1.271
  525    HD1  PHE  69           HD1      PHE  69 -13.227 -10.047   1.741
  526    HD2  PHE  69           HD2      PHE  69 -15.093  -6.550   0.192
  527    HE1  PHE  69           HE1      PHE  69 -15.396 -11.208   1.743
  528    HE2  PHE  69           HE2      PHE  69 -17.265  -7.704   0.191
  529    HZ   PHE  69           HZ       PHE  69 -17.419 -10.037   0.968
  530    H    ASN  70           HN       ASN  70 -13.509  -9.173  -1.547
  531    HA   ASN  70           HA       ASN  70 -12.022 -11.552  -1.039
  532   1HB   ASN  70          HB2       ASN  70 -14.469 -11.569  -1.276
  533   2HB   ASN  70          HB3       ASN  70 -14.314 -11.067  -2.956
  534   1HD2  ASN  70          HD21      ASN  70 -13.892 -13.663  -0.685
  535   2HD2  ASN  70          HD22      ASN  70 -13.721 -14.926  -1.852
  536    H    GLN  71           HN       GLN  71 -11.666  -9.089  -3.290
  537    HA   GLN  71           HA       GLN  71 -10.568 -10.778  -5.387
  538   1HB   GLN  71          HB2       GLN  71 -10.800  -7.771  -5.184
  539   2HB   GLN  71          HB3       GLN  71 -10.226  -8.647  -6.596
  540   1HG   GLN  71          HG2       GLN  71 -12.981  -8.819  -5.397
  541   2HG   GLN  71          HG3       GLN  71 -12.532  -7.967  -6.875
  542   1HE2  GLN  71          HE21      GLN  71 -13.027 -11.071  -5.387
  543   2HE2  GLN  71          HE22      GLN  71 -13.072 -11.990  -6.849
  544    H    LEU  72           HN       LEU  72  -9.429  -8.174  -3.240
  545    HA   LEU  72           HA       LEU  72  -6.701  -8.451  -4.022
  546   1HB   LEU  72          HB2       LEU  72  -7.942  -7.121  -1.611
  547   2HB   LEU  72          HB3       LEU  72  -6.248  -7.020  -2.036
  548    HG   LEU  72           HG       LEU  72  -8.546  -5.946  -3.661
  549   1HD1  LEU  72          HD11      LEU  72  -7.792  -3.791  -2.999
  550   2HD1  LEU  72          HD12      LEU  72  -7.963  -4.763  -1.536
  551   3HD1  LEU  72          HD13      LEU  72  -6.362  -4.466  -2.214
  552   1HD2  LEU  72          HD21      LEU  72  -6.831  -4.973  -5.095
  553   2HD2  LEU  72          HD22      LEU  72  -5.570  -5.756  -4.141
  554   3HD2  LEU  72          HD23      LEU  72  -6.700  -6.732  -5.079
  555    H    GLU  73           HN       GLU  73  -8.708  -9.883  -1.558
  556    HA   GLU  73           HA       GLU  73  -6.879 -10.795   0.282
  557   1HB   GLU  73          HB2       GLU  73  -9.306 -11.076   0.514
  558   2HB   GLU  73          HB3       GLU  73  -9.294 -12.281  -0.766
  559   1HG   GLU  73          HG2       GLU  73  -7.821 -13.692   0.631
  560   2HG   GLU  73          HG3       GLU  73  -7.972 -12.505   1.928
  561    H    ALA  74           HN       ALA  74  -7.736 -12.269  -2.825
  562    HA   ALA  74           HA       ALA  74  -5.915 -14.475  -2.423
  563   1HB   ALA  74          HB1       ALA  74  -7.468 -13.674  -4.879
  564   2HB   ALA  74          HB2       ALA  74  -6.615 -15.198  -4.638
  565   3HB   ALA  74          HB3       ALA  74  -8.012 -14.803  -3.638
  566    H    PHE  75           HN       PHE  75  -5.721 -11.299  -3.660
  567    HA   PHE  75           HA       PHE  75  -3.618 -11.737  -5.541
  568   1HB   PHE  75          HB2       PHE  75  -5.064  -9.807  -5.772
  569   2HB   PHE  75          HB3       PHE  75  -4.564  -9.205  -4.195
  570    HD1  PHE  75           HD1      PHE  75  -2.597  -7.935  -3.944
  571    HD2  PHE  75           HD2      PHE  75  -3.415  -9.877  -7.641
  572    HE1  PHE  75           HE1      PHE  75  -0.766  -6.678  -5.004
  573    HE2  PHE  75           HE2      PHE  75  -1.585  -8.623  -8.707
  574    HZ   PHE  75           HZ       PHE  75  -0.260  -7.031  -7.399
  575    H    LEU  76           HN       LEU  76  -3.723 -10.585  -2.186
  576    HA   LEU  76           HA       LEU  76  -1.014  -9.966  -1.922
  577   1HB   LEU  76          HB2       LEU  76  -3.131  -9.730  -0.306
  578   2HB   LEU  76          HB3       LEU  76  -2.411 -11.159   0.410
  579    HG   LEU  76           HG       LEU  76  -1.675  -9.179   1.593
  580   1HD1  LEU  76          HD11      LEU  76   0.733  -9.463   1.444
  581   2HD1  LEU  76          HD12      LEU  76  -0.084 -11.025   1.376
  582   3HD1  LEU  76          HD13      LEU  76   0.554 -10.297  -0.100
  583   1HD2  LEU  76          HD21      LEU  76  -1.914  -7.464  -0.015
  584   2HD2  LEU  76          HD22      LEU  76  -0.198  -7.540   0.378
  585   3HD2  LEU  76          HD23      LEU  76  -0.790  -8.247  -1.125
  586    H    THR  77           HN       THR  77  -2.716 -13.040  -1.488
  587    HA   THR  77           HA       THR  77  -0.636 -14.548  -0.407
  588    HB   THR  77           HB       THR  77  -2.729 -15.537  -2.359
  589    HG1  THR  77           HG1      THR  77  -3.567 -16.142  -0.037
  590   1HG2  THR  77          HG21      THR  77  -1.149 -16.976  -0.222
  591   2HG2  THR  77          HG22      THR  77  -0.936 -17.147  -1.964
  592   3HG2  THR  77          HG23      THR  77  -2.432 -17.685  -1.202
  593    H    ALA  78           HN       ALA  78  -1.112 -13.329  -3.603
  594    HA   ALA  78           HA       ALA  78   0.730 -15.121  -4.888
  595   1HB   ALA  78          HB1       ALA  78  -0.414 -12.498  -5.853
  596   2HB   ALA  78          HB2       ALA  78   0.455 -13.676  -6.838
  597   3HB   ALA  78          HB3       ALA  78  -1.109 -14.094  -6.138
  598    H    GLN  79           HN       GLN  79   0.867 -12.003  -3.331
  599    HA   GLN  79           HA       GLN  79   3.419 -11.234  -4.313
  600   1HB   GLN  79          HB2       GLN  79   2.048 -10.366  -1.767
  601   2HB   GLN  79          HB3       GLN  79   3.387  -9.546  -2.556
  602   1HG   GLN  79          HG2       GLN  79   1.796  -9.368  -4.570
  603   2HG   GLN  79          HG3       GLN  79   0.529  -9.730  -3.402
  604   1HE2  GLN  79          HE21      GLN  79   1.922  -8.370  -1.231
  605   2HE2  GLN  79          HE22      GLN  79   1.734  -6.679  -1.525
  606    H    THR  80           HN       THR  80   2.401 -13.519  -2.030
  607    HA   THR  80           HA       THR  80   4.999 -13.513  -0.659
  608    HB   THR  80           HB       THR  80   4.000 -14.859   1.052
  609    HG1  THR  80           HG1      THR  80   2.700 -16.211  -0.239
  610   1HG2  THR  80          HG21      THR  80   3.475 -12.441   1.103
  611   2HG2  THR  80          HG22      THR  80   2.216 -13.424   1.851
  612   3HG2  THR  80          HG23      THR  80   1.978 -12.772   0.229
  613    H    LYS  81           HN       LYS  81   3.359 -15.033  -3.160
  614    HA   LYS  81           HA       LYS  81   4.995 -17.467  -2.903
  615   1HB   LYS  81          HB2       LYS  81   2.386 -17.017  -4.354
  616   2HB   LYS  81          HB3       LYS  81   3.339 -18.489  -4.480
  617   1HG   LYS  81          HG2       LYS  81   3.050 -18.928  -2.125
  618   2HG   LYS  81          HG3       LYS  81   2.194 -17.398  -1.918
  619   1HD   LYS  81          HD2       LYS  81   0.372 -18.150  -3.263
  620   2HD   LYS  81          HD3       LYS  81   1.257 -19.598  -3.752
  621   1HE   LYS  81          HE2       LYS  81   0.277 -18.933  -0.979
  622   2HE   LYS  81          HE3       LYS  81  -0.383 -20.160  -2.060
  623   1HZ   LYS  81          HZ1       LYS  81   2.349 -20.165  -0.895
  624   2HZ   LYS  81          HZ2       LYS  81   1.729 -21.337  -1.944
  625   3HZ   LYS  81          HZ3       LYS  81   1.060 -21.145  -0.402
  626    H    LYS  82           HN       LYS  82   5.100 -14.584  -4.361
  627    HA   LYS  82           HA       LYS  82   5.780 -15.462  -7.037
  628   1HB   LYS  82          HB2       LYS  82   6.122 -13.141  -7.550
  629   2HB   LYS  82          HB3       LYS  82   4.636 -13.285  -6.625
  630   1HG   LYS  82          HG2       LYS  82   5.614 -12.349  -4.714
  631   2HG   LYS  82          HG3       LYS  82   7.249 -12.595  -5.333
  632   1HD   LYS  82          HD2       LYS  82   6.795 -10.282  -5.568
  633   2HD   LYS  82          HD3       LYS  82   6.660 -10.978  -7.183
  634   1HE   LYS  82          HE2       LYS  82   4.195 -11.118  -6.834
  635   2HE   LYS  82          HE3       LYS  82   4.413 -10.245  -5.318
  636   1HZ   LYS  82          HZ1       LYS  82   3.791  -8.736  -7.073
  637   2HZ   LYS  82          HZ2       LYS  82   5.095  -9.237  -8.026
  638   3HZ   LYS  82          HZ3       LYS  82   5.375  -8.404  -6.580
  639    H    GLN  83           HN       GLN  83   7.905 -13.771  -7.630
  640    HA   GLN  83           HA       GLN  83  10.082 -15.140  -6.215
  641   1HB   GLN  83          HB2       GLN  83  10.290 -13.608  -8.800
  642   2HB   GLN  83          HB3       GLN  83  11.424 -14.780  -8.146
  643   1HG   GLN  83          HG2       GLN  83   8.622 -15.474  -8.984
  644   2HG   GLN  83          HG3       GLN  83  10.016 -15.582 -10.058
  645   1HE2  GLN  83          HE21      GLN  83   9.778 -17.797 -10.308
  646   2HE2  GLN  83          HE22      GLN  83  10.174 -18.918  -9.055
  647    H    GLY  84           HN       GLY  84  11.229 -14.034  -4.779
  648   1HA   GLY  84          HA1       GLY  84  12.184 -12.292  -3.632
  649   2HA   GLY  84          HA2       GLY  84  12.297 -11.479  -5.185
  650    H    GLY  85           HN       GLY  85   9.186 -12.445  -4.024
  651   1HA   GLY  85          HA1       GLY  85   8.122  -9.841  -4.152
  652   2HA   GLY  85          HA2       GLY  85   7.335 -11.238  -3.440
  653    H    ILE  86           HN       ILE  86   6.650 -10.717  -1.498
  654    HA   ILE  86           HA       ILE  86   8.464  -9.190   0.254
  655    HB   ILE  86           HB       ILE  86   6.547  -8.289   1.398
  656   1HG1  ILE  86          HG12      ILE  86   4.838  -9.872  -0.538
  657   2HG1  ILE  86          HG13      ILE  86   5.103 -10.307   1.147
  658   1HG2  ILE  86          HG21      ILE  86   6.310  -8.089  -1.603
  659   2HG2  ILE  86          HG22      ILE  86   5.527  -6.992  -0.462
  660   3HG2  ILE  86          HG23      ILE  86   7.286  -7.071  -0.546
  661   1HD1  ILE  86          HD11      ILE  86   2.952  -9.182   0.755
  662   2HD1  ILE  86          HD12      ILE  86   3.989  -8.308   1.881
  663   3HD1  ILE  86          HD13      ILE  86   3.826  -7.748   0.217
  664    H    THR  87           HN       THR  87   8.133  -9.632   2.611
  665    HA   THR  87           HA       THR  87   8.074 -12.513   3.012
  666    HB   THR  87           HB       THR  87   9.959 -11.266   3.955
  667    HG1  THR  87           HG1      THR  87   8.784 -11.947   6.324
  668   1HG2  THR  87          HG21      THR  87   9.723  -9.661   5.695
  669   2HG2  THR  87          HG22      THR  87   7.997  -9.983   5.847
  670   3HG2  THR  87          HG23      THR  87   8.620  -9.174   4.409
  671    H    SER  88           HN       SER  88   7.162 -13.188   5.254
  672    HA   SER  88           HA       SER  88   4.387 -12.937   5.167
  673   1HB   SER  88          HB2       SER  88   6.099 -13.738   7.532
  674   2HB   SER  88          HB3       SER  88   4.379 -14.075   7.338
  675    HG   SER  88           HG       SER  88   5.811 -14.904   5.190
  676    H    ASP  89           HN       ASP  89   6.765 -11.250   7.182
  677    HA   ASP  89           HA       ASP  89   4.944  -9.875   8.820
  678   1HB   ASP  89          HB2       ASP  89   7.297 -10.004   9.397
  679   2HB   ASP  89          HB3       ASP  89   7.737  -9.111   7.945
  680    H    GLN  90           HN       GLN  90   6.124  -9.239   5.597
  681    HA   GLN  90           HA       GLN  90   4.983  -6.578   5.505
  682   1HB   GLN  90          HB2       GLN  90   6.476  -8.301   3.547
  683   2HB   GLN  90          HB3       GLN  90   5.668  -6.832   3.018
  684   1HG   GLN  90          HG2       GLN  90   7.011  -5.513   4.544
  685   2HG   GLN  90          HG3       GLN  90   7.780  -6.975   5.160
  686   1HE2  GLN  90          HE21      GLN  90   6.995  -6.512   1.795
  687   2HE2  GLN  90          HE22      GLN  90   8.621  -6.373   1.230
  688    H    ALA  91           HN       ALA  91   4.046  -9.801   4.777
  689    HA   ALA  91           HA       ALA  91   1.959  -9.068   2.919
  690   1HB   ALA  91          HB1       ALA  91   1.437 -11.420   2.862
  691   2HB   ALA  91          HB2       ALA  91   3.182 -11.200   2.734
  692   3HB   ALA  91          HB3       ALA  91   2.468 -11.715   4.262
  693    H    ALA  92           HN       ALA  92   2.245  -9.756   6.334
  694    HA   ALA  92           HA       ALA  92  -0.526 -10.167   6.826
  695   1HB   ALA  92          HB1       ALA  92   0.047 -10.018   9.166
  696   2HB   ALA  92          HB2       ALA  92   1.252 -10.987   8.317
  697   3HB   ALA  92          HB3       ALA  92   1.618  -9.321   8.766
  698    H    VAL  93           HN       VAL  93   1.504  -7.322   6.656
  699    HA   VAL  93           HA       VAL  93  -0.510  -5.650   7.895
  700    HB   VAL  93           HB       VAL  93   2.243  -5.446   7.643
  701   1HG1  VAL  93          HG11      VAL  93   2.629  -3.286   6.551
  702   2HG1  VAL  93          HG12      VAL  93   2.068  -4.508   5.412
  703   3HG1  VAL  93          HG13      VAL  93   0.955  -3.275   5.999
  704   1HG2  VAL  93          HG21      VAL  93   1.810  -3.179   8.748
  705   2HG2  VAL  93          HG22      VAL  93   0.102  -3.596   8.611
  706   3HG2  VAL  93          HG23      VAL  93   1.187  -4.625   9.545
  707    H    ILE  94           HN       ILE  94   0.727  -6.278   4.644
  708    HA   ILE  94           HA       ILE  94  -0.836  -4.183   3.444
  709    HB   ILE  94           HB       ILE  94   0.476  -6.548   2.089
  710   1HG1  ILE  94          HG12      ILE  94   1.523  -3.733   2.469
  711   2HG1  ILE  94          HG13      ILE  94   2.060  -5.131   3.393
  712   1HG2  ILE  94          HG21      ILE  94  -0.502  -3.910   1.000
  713   2HG2  ILE  94          HG22      ILE  94   0.382  -5.130   0.083
  714   3HG2  ILE  94          HG23      ILE  94  -1.225  -5.493   0.713
  715   1HD1  ILE  94          HD11      ILE  94   3.629  -4.602   1.627
  716   2HD1  ILE  94          HD12      ILE  94   2.875  -6.169   1.335
  717   3HD1  ILE  94          HD13      ILE  94   2.351  -4.754   0.423
  718    H    SER  95           HN       SER  95  -1.290  -7.555   4.197
  719    HA   SER  95           HA       SER  95  -3.469  -8.103   2.511
  720   1HB   SER  95          HB2       SER  95  -2.286  -9.887   3.682
  721   2HB   SER  95          HB3       SER  95  -2.807  -9.244   5.240
  722    HG   SER  95           HG       SER  95  -4.102 -10.915   3.589
  723    H    LYS  96           HN       LYS  96  -3.191  -6.058   5.186
  724    HA   LYS  96           HA       LYS  96  -5.935  -6.163   6.058
  725   1HB   LYS  96          HB2       LYS  96  -4.020  -3.932   6.676
  726   2HB   LYS  96          HB3       LYS  96  -5.333  -4.561   7.660
  727   1HG   LYS  96          HG2       LYS  96  -2.870  -6.155   7.018
  728   2HG   LYS  96          HG3       LYS  96  -3.009  -5.116   8.439
  729   1HD   LYS  96          HD2       LYS  96  -5.321  -6.806   8.194
  730   2HD   LYS  96          HD3       LYS  96  -3.846  -7.775   8.182
  731   1HE   LYS  96          HE2       LYS  96  -4.827  -7.372  10.451
  732   2HE   LYS  96          HE3       LYS  96  -3.145  -6.875  10.272
  733   1HZ   LYS  96          HZ1       LYS  96  -5.489  -5.057  10.109
  734   2HZ   LYS  96          HZ2       LYS  96  -3.864  -4.599  10.012
  735   3HZ   LYS  96          HZ3       LYS  96  -4.480  -5.226  11.457
  736    H    PHE  97           HN       PHE  97  -4.612  -5.042   3.318
  737    HA   PHE  97           HA       PHE  97  -5.408  -2.430   2.994
  738   1HB   PHE  97          HB2       PHE  97  -5.609  -3.041   0.507
  739   2HB   PHE  97          HB3       PHE  97  -4.053  -3.222   1.305
  740    HD1  PHE  97           HD1      PHE  97  -3.681  -4.634  -0.886
  741    HD2  PHE  97           HD2      PHE  97  -6.269  -5.765   2.295
  742    HE1  PHE  97           HE1      PHE  97  -3.615  -6.966  -1.659
  743    HE2  PHE  97           HE2      PHE  97  -6.199  -8.101   1.528
  744    HZ   PHE  97           HZ       PHE  97  -4.675  -8.667  -0.518
  745    H    TRP  98           HN       TRP  98  -7.585  -4.935   3.617
  746    HA   TRP  98           HA       TRP  98  -9.723  -3.171   2.670
  747   1HB   TRP  98          HB2       TRP  98 -11.102  -5.196   2.047
  748   2HB   TRP  98          HB3       TRP  98  -9.788  -4.779   0.961
  749    HD1  TRP  98           HD1      TRP  98  -8.397  -6.745   0.194
  750    HE1  TRP  98           HE1      TRP  98  -7.925  -9.132   1.031
  751    HE3  TRP  98           HE3      TRP  98 -10.998  -6.609   4.604
  752    HZ2  TRP  98           HZ2      TRP  98  -8.572 -10.744   3.247
  753    HZ3  TRP  98           HZ3      TRP  98 -11.024  -8.621   6.016
  754    HH2  TRP  98           HH2      TRP  98  -9.837 -10.646   5.350
  755    H    LYS  99           HN       LYS  99  -8.406  -4.418   5.303
  756    HA   LYS  99           HA       LYS  99 -11.000  -4.885   6.619
  757   1HB   LYS  99          HB2       LYS  99  -9.894  -6.193   8.279
  758   2HB   LYS  99          HB3       LYS  99  -9.339  -6.762   6.712
  759   1HG   LYS  99          HG2       LYS  99  -7.238  -6.419   7.303
  760   2HG   LYS  99          HG3       LYS  99  -7.575  -4.716   7.617
  761   1HD   LYS  99          HD2       LYS  99  -8.177  -6.905   9.597
  762   2HD   LYS  99          HD3       LYS  99  -6.639  -6.042   9.557
  763   1HE   LYS  99          HE2       LYS  99  -7.810  -3.929   9.913
  764   2HE   LYS  99          HE3       LYS  99  -9.354  -4.780   9.928
  765   1HZ   LYS  99          HZ1       LYS  99  -8.665  -5.964  11.898
  766   2HZ   LYS  99          HZ2       LYS  99  -8.534  -4.299  12.166
  767   3HZ   LYS  99          HZ3       LYS  99  -7.147  -5.218  11.867
  768    H    SER 100           HN       SER 100  -8.231  -2.850   6.487
  769    HA   SER 100           HA       SER 100  -8.605  -1.688   9.096
  770   1HB   SER 100          HB2       SER 100  -6.372  -1.757   8.081
  771   2HB   SER 100          HB3       SER 100  -6.936  -0.749   6.750
  772    HG   SER 100           HG       SER 100  -6.191   0.763   8.043
  773    H    HIS 101           HN       HIS 101 -10.008  -1.293   6.024
  774    HA   HIS 101           HA       HIS 101 -11.179   1.276   6.871
  775   1HB   HIS 101          HB2       HIS 101 -10.555   0.389   4.048
  776   2HB   HIS 101          HB3       HIS 101 -11.332   1.902   4.498
  777    HD1  HIS 101           HD1      HIS 101  -8.009   0.133   4.742
  778    HD2  HIS 101           HD2      HIS 101  -9.619   3.933   5.220
  779    HE1  HIS 101           HE1      HIS 101  -6.037   1.668   5.015
  780    HE2  HIS 101           HE2      HIS 101  -7.033   3.976   5.185
  781    H    LYS 102           HN       LYS 102 -11.864  -1.903   6.479
  782    HA   LYS 102           HA       LYS 102 -14.695  -1.319   6.173
  783   1HB   LYS 102          HB2       LYS 102 -13.916  -1.764   3.880
  784   2HB   LYS 102          HB3       LYS 102 -13.313  -3.333   4.397
  785   1HG   LYS 102          HG2       LYS 102 -15.449  -4.202   4.679
  786   2HG   LYS 102          HG3       LYS 102 -16.191  -2.604   4.768
  787   1HD   LYS 102          HD2       LYS 102 -16.712  -3.652   2.643
  788   2HD   LYS 102          HD3       LYS 102 -15.676  -2.248   2.391
  789   1HE   LYS 102          HE2       LYS 102 -13.725  -3.760   2.249
  790   2HE   LYS 102          HE3       LYS 102 -14.814  -5.138   2.406
  791   1HZ   LYS 102          HZ1       LYS 102 -14.270  -4.720   0.099
  792   2HZ   LYS 102          HZ2       LYS 102 -14.853  -3.137   0.213
  793   3HZ   LYS 102          HZ3       LYS 102 -15.917  -4.442   0.366
  794    H    THR 103           HN       THR 103 -14.625  -1.869   8.408
  795    HA   THR 103           HA       THR 103 -15.184  -4.668   8.862
  796    HB   THR 103           HB       THR 103 -13.682  -4.598  10.976
  797    HG1  THR 103           HG1      THR 103 -12.208  -3.069  11.065
  798   1HG2  THR 103          HG21      THR 103 -12.388  -4.864   8.260
  799   2HG2  THR 103          HG22      THR 103 -13.339  -6.113   9.064
  800   3HG2  THR 103          HG23      THR 103 -11.813  -5.576   9.767
  801    H    LYS 104           HN       LYS 104 -14.727  -1.450  10.215
  802    HA   LYS 104           HA       LYS 104 -17.332  -1.503  11.425
  803   1HB   LYS 104          HB2       LYS 104 -16.698  -1.247  13.702
  804   2HB   LYS 104          HB3       LYS 104 -15.830  -2.653  13.107
  805   1HG   LYS 104          HG2       LYS 104 -14.616   0.094  13.287
  806   2HG   LYS 104          HG3       LYS 104 -14.508  -1.113  14.569
  807   1HD   LYS 104          HD2       LYS 104 -13.415  -2.657  12.984
  808   2HD   LYS 104          HD3       LYS 104 -13.476  -1.398  11.747
  809   1HE   LYS 104          HE2       LYS 104 -12.019  -1.232  14.384
  810   2HE   LYS 104          HE3       LYS 104 -11.278  -1.489  12.805
  811   1HZ   LYS 104          HZ1       LYS 104 -12.059   0.680  12.112
  812   2HZ   LYS 104          HZ2       LYS 104 -11.124   0.822  13.515
  813   3HZ   LYS 104          HZ3       LYS 104 -12.810   0.925  13.608
  814    H    ILE 105           HN       ILE 105 -15.223  -0.023   9.655
  815    HA   ILE 105           HA       ILE 105 -15.195   2.618  10.842
  816    HB   ILE 105           HB       ILE 105 -14.293   1.711   8.102
  817   1HG1  ILE 105          HG12      ILE 105 -12.002   2.227   9.221
  818   2HG1  ILE 105          HG13      ILE 105 -12.879   2.054  10.736
  819   1HG2  ILE 105          HG21      ILE 105 -14.828   4.042   8.037
  820   2HG2  ILE 105          HG22      ILE 105 -13.968   4.331   9.550
  821   3HG2  ILE 105          HG23      ILE 105 -13.072   3.884   8.097
  822   1HD1  ILE 105          HD11      ILE 105 -13.390  -0.214  10.272
  823   2HD1  ILE 105          HD12      ILE 105 -12.815  -0.068   8.611
  824   3HD1  ILE 105          HD13      ILE 105 -11.672   0.014   9.950
  825    H    ARG 106           HN       ARG 106 -16.594   1.118   7.926
  826    HA   ARG 106           HA       ARG 106 -18.223   3.447   7.407
  827   1HB   ARG 106          HB2       ARG 106 -18.127   0.738   6.068
  828   2HB   ARG 106          HB3       ARG 106 -19.103   2.092   5.514
  829   1HG   ARG 106          HG2       ARG 106 -17.101   3.400   5.105
  830   2HG   ARG 106          HG3       ARG 106 -16.099   2.084   5.722
  831   1HD   ARG 106          HD2       ARG 106 -16.146   2.111   3.276
  832   2HD   ARG 106          HD3       ARG 106 -16.863   0.636   3.924
  833    HE   ARG 106           HE       ARG 106 -18.898   2.517   3.507
  834   1HH1  ARG 106          HH12      ARG 106 -16.664   0.560   1.681
  835   2HH1  ARG 106          HH11      ARG 106 -17.702   0.444   0.298
  836   1HH2  ARG 106          HH22      ARG 106 -20.267   2.364   1.693
  837   2HH2  ARG 106          HH21      ARG 106 -19.746   1.470   0.304
  838    H    GLU 107           HN       GLU 107 -18.936   0.006   8.022
  839    HA   GLU 107           HA       GLU 107 -21.571   0.811   9.048
  840   1HB   GLU 107          HB2       GLU 107 -20.585  -1.885   8.099
  841   2HB   GLU 107          HB3       GLU 107 -22.195  -1.570   8.730
  842   1HG   GLU 107          HG2       GLU 107 -21.008  -0.326   6.261
  843   2HG   GLU 107          HG3       GLU 107 -22.167  -1.654   6.293
  844    H    SER 108           HN       SER 108 -22.386  -0.867  10.767
  845    HA   SER 108           HA       SER 108 -20.662  -0.582  13.026
  846   1HB   SER 108          HB2       SER 108 -23.274  -2.087  12.737
  847   2HB   SER 108          HB3       SER 108 -22.464  -1.742  14.265
  848    HG   SER 108           HG       SER 108 -22.995   0.335  14.102
  Start of MODEL   14
    1   1H    MET   1          H1        MET   1  16.621  -2.887  16.823
    2   2H    MET   1          H2        MET   1  16.952  -4.517  16.513
    3   3H    MET   1          H3        MET   1  15.359  -3.952  16.454
    4    HA   MET   1           HA       MET   1  15.878  -2.565  14.562
    5   1HB   MET   1          HB2       MET   1  18.599  -3.875  14.749
    6   2HB   MET   1          HB3       MET   1  18.065  -2.812  13.456
    7   1HG   MET   1          HG2       MET   1  17.850  -0.976  15.041
    8   2HG   MET   1          HG3       MET   1  18.362  -2.040  16.350
    9   1HE   MET   1          HE1       MET   1  21.468   0.288  15.976
   10   2HE   MET   1          HE2       MET   1  19.782   0.764  15.774
   11   3HE   MET   1          HE3       MET   1  20.235  -0.351  17.063
   12    H    ALA   2           HN       ALA   2  14.938  -3.420  12.821
   13    HA   ALA   2           HA       ALA   2  15.133  -6.336  12.445
   14   1HB   ALA   2          HB1       ALA   2  12.886  -4.583  11.482
   15   2HB   ALA   2          HB2       ALA   2  12.925  -6.343  11.586
   16   3HB   ALA   2          HB3       ALA   2  12.886  -5.372  13.059
   17    H    ALA   3           HN       ALA   3  14.391  -3.433  10.502
   18    HA   ALA   3           HA       ALA   3  14.959  -2.825   8.386
   19   1HB   ALA   3          HB1       ALA   3  17.206  -2.791   9.337
   20   2HB   ALA   3          HB2       ALA   3  17.406  -4.499   8.943
   21   3HB   ALA   3          HB3       ALA   3  17.239  -3.309   7.651
   22    H    GLY   4           HN       GLY   4  13.427  -5.334   8.840
   23   1HA   GLY   4          HA1       GLY   4  14.255  -7.015   6.601
   24   2HA   GLY   4          HA2       GLY   4  12.964  -7.364   7.740
   25    H    GLU   5           HN       GLU   5  11.395  -5.136   7.572
   26    HA   GLU   5           HA       GLU   5  10.137  -5.537   5.006
   27   1HB   GLU   5          HB2       GLU   5   9.351  -3.718   7.290
   28   2HB   GLU   5          HB3       GLU   5   8.351  -4.117   5.900
   29   1HG   GLU   5          HG2       GLU   5   8.298  -6.450   6.594
   30   2HG   GLU   5          HG3       GLU   5   9.330  -6.070   7.971
   31    H    LEU   6           HN       LEU   6  10.903  -2.542   6.781
   32    HA   LEU   6           HA       LEU   6  12.367  -1.404   4.624
   33   1HB   LEU   6          HB2       LEU   6   9.588  -1.225   4.383
   34   2HB   LEU   6          HB3       LEU   6  10.089   0.347   4.973
   35    HG   LEU   6           HG       LEU   6  11.180  -0.998   2.500
   36   1HD1  LEU   6          HD11      LEU   6   9.922   0.701   1.271
   37   2HD1  LEU   6          HD12      LEU   6   8.857  -0.352   2.204
   38   3HD1  LEU   6          HD13      LEU   6   9.220   1.272   2.786
   39   1HD2  LEU   6          HD21      LEU   6  12.204   1.176   2.052
   40   2HD2  LEU   6          HD22      LEU   6  11.601   1.780   3.596
   41   3HD2  LEU   6          HD23      LEU   6  12.797   0.484   3.561
   42    H    GLU   7           HN       GLU   7  10.255  -0.538   7.354
   43    HA   GLU   7           HA       GLU   7  12.401   0.502   8.892
   44   1HB   GLU   7          HB2       GLU   7  11.692   2.866   8.940
   45   2HB   GLU   7          HB3       GLU   7  12.268   2.375   7.353
   46   1HG   GLU   7          HG2       GLU   7   9.976   2.165   6.569
   47   2HG   GLU   7          HG3       GLU   7   9.380   2.609   8.169
   48    H    GLY   8           HN       GLY   8   9.397  -0.734   8.535
   49   1HA   GLY   8          HA1       GLY   8   8.749  -1.261  11.075
   50   2HA   GLY   8          HA2       GLY   8   8.212   0.406  10.933
   51    H    GLY   9           HN       GLY   9   6.290  -1.245  11.588
   52   1HA   GLY   9          HA1       GLY   9   4.988  -2.380   9.260
   53   2HA   GLY   9          HA2       GLY   9   4.376  -2.386  10.908
   54    H    LYS  10           HN       LYS  10   4.778   0.533  11.165
   55    HA   LYS  10           HA       LYS  10   2.226   1.407  10.523
   56   1HB   LYS  10          HB2       LYS  10   3.529   2.547  12.192
   57   2HB   LYS  10          HB3       LYS  10   4.747   2.996  11.005
   58   1HG   LYS  10          HG2       LYS  10   3.112   4.421   9.869
   59   2HG   LYS  10          HG3       LYS  10   1.899   3.977  11.074
   60   1HD   LYS  10          HD2       LYS  10   3.333   4.938  12.834
   61   2HD   LYS  10          HD3       LYS  10   4.494   5.427  11.598
   62   1HE   LYS  10          HE2       LYS  10   3.083   7.302  12.217
   63   2HE   LYS  10          HE3       LYS  10   2.768   6.824  10.550
   64   1HZ   LYS  10          HZ1       LYS  10   0.717   7.261  11.744
   65   2HZ   LYS  10          HZ2       LYS  10   1.107   6.088  12.900
   66   3HZ   LYS  10          HZ3       LYS  10   0.805   5.630  11.301
   67    HA   PRO  11           HA       PRO  11   4.100   3.627   6.617
   68   1HB   PRO  11          HB2       PRO  11   6.292   2.404   5.530
   69   2HB   PRO  11          HB3       PRO  11   6.376   3.793   6.621
   70   1HG   PRO  11          HG2       PRO  11   6.735   0.886   7.227
   71   2HG   PRO  11          HG3       PRO  11   7.667   2.276   7.814
   72   1HD   PRO  11          HD2       PRO  11   5.798   1.088   9.332
   73   2HD   PRO  11          HD3       PRO  11   6.073   2.840   9.393
   74    H    LEU  12           HN       LEU  12   5.215   0.236   6.379
   75    HA   LEU  12           HA       LEU  12   4.233  -0.309   3.873
   76   1HB   LEU  12          HB2       LEU  12   5.693  -1.772   5.341
   77   2HB   LEU  12          HB3       LEU  12   4.213  -2.328   6.103
   78    HG   LEU  12           HG       LEU  12   3.418  -3.159   3.912
   79   1HD1  LEU  12          HD11      LEU  12   4.623  -1.646   2.453
   80   2HD1  LEU  12          HD12      LEU  12   6.160  -2.341   2.966
   81   3HD1  LEU  12          HD13      LEU  12   5.012  -3.319   2.052
   82   1HD2  LEU  12          HD21      LEU  12   6.108  -4.184   4.807
   83   2HD2  LEU  12          HD22      LEU  12   4.531  -4.698   5.404
   84   3HD2  LEU  12          HD23      LEU  12   5.000  -5.046   3.738
   85    H    SER  13           HN       SER  13   2.447  -0.138   6.871
   86    HA   SER  13           HA       SER  13   0.107  -1.432   5.808
   87   1HB   SER  13          HB2       SER  13  -0.965  -0.852   7.894
   88   2HB   SER  13          HB3       SER  13   0.669  -1.413   8.247
   89    HG   SER  13           HG       SER  13  -0.460   0.955   8.807
   90    H    GLY  14           HN       GLY  14   1.177   1.884   6.355
   91   1HA   GLY  14          HA1       GLY  14  -1.261   2.892   5.063
   92   2HA   GLY  14          HA2       GLY  14  -0.093   3.858   5.959
   93    H    LEU  15           HN       LEU  15   1.138   1.540   3.769
   94    HA   LEU  15           HA       LEU  15   2.487   3.494   2.209
   95   1HB   LEU  15          HB2       LEU  15   2.660   0.740   2.666
   96   2HB   LEU  15          HB3       LEU  15   2.330   0.896   0.955
   97    HG   LEU  15           HG       LEU  15   4.715   0.764   1.318
   98   1HD1  LEU  15          HD11      LEU  15   3.831   3.539   0.550
   99   2HD1  LEU  15          HD12      LEU  15   5.420   2.847   0.224
  100   3HD1  LEU  15          HD13      LEU  15   3.984   2.144  -0.518
  101   1HD2  LEU  15          HD21      LEU  15   5.871   2.626   2.534
  102   2HD2  LEU  15          HD22      LEU  15   4.295   3.115   3.153
  103   3HD2  LEU  15          HD23      LEU  15   4.949   1.529   3.559
  104    H    LEU  16           HN       LEU  16   0.001   1.096   1.337
  105    HA   LEU  16           HA       LEU  16  -0.472   1.957  -1.259
  106   1HB   LEU  16          HB2       LEU  16  -2.593   0.873   0.596
  107   2HB   LEU  16          HB3       LEU  16  -2.573   0.786  -1.153
  108    HG   LEU  16           HG       LEU  16  -2.005  -1.367  -0.552
  109   1HD1  LEU  16          HD11      LEU  16  -0.328  -0.461  -2.093
  110   2HD1  LEU  16          HD12      LEU  16   0.684  -0.014  -0.718
  111   3HD1  LEU  16          HD13      LEU  16   0.341  -1.713  -1.045
  112   1HD2  LEU  16          HD21      LEU  16   0.075  -0.730   1.449
  113   2HD2  LEU  16          HD22      LEU  16  -1.602  -0.445   1.921
  114   3HD2  LEU  16          HD23      LEU  16  -1.092  -2.050   1.399
  115    H    ASN  17           HN       ASN  17  -1.272   3.397   1.729
  116    HA   ASN  17           HA       ASN  17  -3.441   5.032   0.821
  117   1HB   ASN  17          HB2       ASN  17  -1.735   4.908   3.286
  118   2HB   ASN  17          HB3       ASN  17  -2.788   6.299   3.014
  119   1HD2  ASN  17          HD21      ASN  17  -2.890   4.258   5.087
  120   2HD2  ASN  17          HD22      ASN  17  -4.452   3.531   4.968
  121    H    ALA  18           HN       ALA  18  -0.030   5.674   1.625
  122    HA   ALA  18           HA       ALA  18   0.028   8.379   0.877
  123   1HB   ALA  18          HB1       ALA  18   2.457   8.093   0.761
  124   2HB   ALA  18          HB2       ALA  18   1.783   7.325   2.197
  125   3HB   ALA  18          HB3       ALA  18   2.256   6.342   0.812
  126    H    LEU  19           HN       LEU  19   0.905   5.465  -0.943
  127    HA   LEU  19           HA       LEU  19   1.720   6.635  -3.321
  128   1HB   LEU  19          HB2       LEU  19   0.274   4.009  -3.075
  129   2HB   LEU  19          HB3       LEU  19   1.418   4.480  -4.318
  130    HG   LEU  19           HG       LEU  19   2.211   4.264  -1.425
  131   1HD1  LEU  19          HD11      LEU  19   1.320   2.111  -2.067
  132   2HD1  LEU  19          HD12      LEU  19   2.287   2.122  -3.542
  133   3HD1  LEU  19          HD13      LEU  19   3.078   2.028  -1.968
  134   1HD2  LEU  19          HD21      LEU  19   3.740   5.523  -2.778
  135   2HD2  LEU  19          HD22      LEU  19   4.451   3.943  -2.450
  136   3HD2  LEU  19          HD23      LEU  19   3.733   4.277  -4.026
  137    H    ALA  20           HN       ALA  20  -1.390   6.699  -2.022
  138    HA   ALA  20           HA       ALA  20  -3.128   6.327  -4.107
  139   1HB   ALA  20          HB1       ALA  20  -4.627   7.902  -3.011
  140   2HB   ALA  20          HB2       ALA  20  -3.842   6.852  -1.832
  141   3HB   ALA  20          HB3       ALA  20  -3.289   8.514  -2.038
  142    H    GLN  21           HN       GLN  21  -1.902   9.560  -3.217
  143    HA   GLN  21           HA       GLN  21  -1.426  11.411  -4.441
  144   1HB   GLN  21          HB2       GLN  21  -1.090   9.364  -6.632
  145   2HB   GLN  21          HB3       GLN  21  -0.762  11.076  -6.857
  146   1HG   GLN  21          HG2       GLN  21   0.904  10.963  -5.046
  147   2HG   GLN  21          HG3       GLN  21   0.614   9.228  -4.923
  148   1HE2  GLN  21          HE21      GLN  21   3.060  10.686  -5.587
  149   2HE2  GLN  21          HE22      GLN  21   3.557  10.103  -7.135
  150    H    ASP  22           HN       ASP  22  -4.154   9.637  -4.836
  151    HA   ASP  22           HA       ASP  22  -5.731  11.789  -5.678
  152   1HB   ASP  22          HB2       ASP  22  -6.494  10.864  -7.891
  153   2HB   ASP  22          HB3       ASP  22  -4.852  11.500  -7.890
  154    H    THR  23           HN       THR  23  -6.812  11.027  -3.827
  155    HA   THR  23           HA       THR  23  -7.983   8.384  -3.833
  156    HB   THR  23           HB       THR  23  -8.957   9.005  -1.678
  157    HG1  THR  23           HG1      THR  23  -9.021  11.049  -1.006
  158   1HG2  THR  23          HG21      THR  23  -6.620   8.235  -1.748
  159   2HG2  THR  23          HG22      THR  23  -6.895   9.374  -0.430
  160   3HG2  THR  23          HG23      THR  23  -6.082   9.907  -1.903
  161    H    PHE  24           HN       PHE  24  -8.946  11.655  -4.536
  162    HA   PHE  24           HA       PHE  24 -10.827  12.577  -5.402
  163   1HB   PHE  24          HB2       PHE  24 -10.414  10.570  -6.999
  164   2HB   PHE  24          HB3       PHE  24 -11.797   9.844  -6.188
  165    HD1  PHE  24           HD1      PHE  24 -14.024  10.857  -6.386
  166    HD2  PHE  24           HD2      PHE  24 -10.677  12.390  -8.520
  167    HE1  PHE  24           HE1      PHE  24 -15.544  12.101  -7.868
  168    HE2  PHE  24           HE2      PHE  24 -12.191  13.639 -10.004
  169    HZ   PHE  24           HZ       PHE  24 -14.628  13.496  -9.679
  170    H    HIS  25           HN       HIS  25 -12.348   9.478  -4.596
  171    HA   HIS  25           HA       HIS  25 -14.469  10.781  -3.198
  172   1HB   HIS  25          HB2       HIS  25 -13.749   7.846  -3.346
  173   2HB   HIS  25          HB3       HIS  25 -15.258   8.492  -2.712
  174    HD1  HIS  25           HD1      HIS  25 -17.022   9.261  -4.407
  175    HD2  HIS  25           HD2      HIS  25 -13.498   7.923  -6.156
  176    HE1  HIS  25           HE1      HIS  25 -17.538   9.012  -6.856
  177    HE2  HIS  25           HE2      HIS  25 -15.381   8.233  -7.901
  178    H    GLY  26           HN       GLY  26 -11.356  10.114  -2.300
  179   1HA   GLY  26          HA1       GLY  26 -11.979   9.478   0.486
  180   2HA   GLY  26          HA2       GLY  26 -10.378   9.511  -0.237
  181    H    TYR  27           HN       TYR  27  -9.361  10.857   1.168
  182    HA   TYR  27           HA       TYR  27 -10.572  13.456   1.745
  183   1HB   TYR  27          HB2       TYR  27  -8.731  13.680   3.407
  184   2HB   TYR  27          HB3       TYR  27  -9.754  12.275   3.687
  185    HD1  TYR  27           HD1      TYR  27  -8.890  10.025   3.351
  186    HD2  TYR  27           HD2      TYR  27  -6.423  13.429   2.697
  187    HE1  TYR  27           HE1      TYR  27  -6.903   8.577   3.351
  188    HE2  TYR  27           HE2      TYR  27  -4.428  11.990   2.696
  189    HH   TYR  27           HH       TYR  27  -4.614   8.592   2.518
  190    HA   PRO  28           HA       PRO  28  -7.770  15.426  -1.089
  191   1HB   PRO  28          HB2       PRO  28  -8.223  17.983  -0.475
  192   2HB   PRO  28          HB3       PRO  28  -9.489  16.982  -1.199
  193   1HG   PRO  28          HG2       PRO  28  -9.117  17.806   1.649
  194   2HG   PRO  28          HG3       PRO  28 -10.611  17.678   0.705
  195   1HD   PRO  28          HD2       PRO  28  -9.677  15.765   2.488
  196   2HD   PRO  28          HD3       PRO  28 -10.852  15.467   1.193
  197    H    GLY  29           HN       GLY  29  -5.730  16.371  -1.180
  198   1HA   GLY  29          HA1       GLY  29  -3.940  17.649  -0.194
  199   2HA   GLY  29          HA2       GLY  29  -4.499  17.124   1.388
  200    H    ILE  30           HN       ILE  30  -3.707  15.379  -1.614
  201    HA   ILE  30           HA       ILE  30  -1.770  13.801  -0.055
  202    HB   ILE  30           HB       ILE  30  -3.741  12.456  -0.567
  203   1HG1  ILE  30          HG12      ILE  30  -2.574  10.631  -1.930
  204   2HG1  ILE  30          HG13      ILE  30  -1.211  11.738  -2.047
  205   1HG2  ILE  30          HG21      ILE  30  -4.358  11.901  -2.860
  206   2HG2  ILE  30          HG22      ILE  30  -4.510  13.630  -2.552
  207   3HG2  ILE  30          HG23      ILE  30  -3.133  13.015  -3.465
  208   1HD1  ILE  30          HD11      ILE  30  -0.903  10.131  -0.252
  209   2HD1  ILE  30          HD12      ILE  30  -1.025  11.773   0.380
  210   3HD1  ILE  30          HD13      ILE  30  -2.401  10.677   0.504
  211    H    THR  31           HN       THR  31  -0.548  15.806  -0.967
  212    HA   THR  31           HA       THR  31   0.166  15.974  -3.668
  213    HB   THR  31           HB       THR  31   1.903  16.710  -1.303
  214    HG1  THR  31           HG1      THR  31   0.242  18.503  -2.721
  215   1HG2  THR  31          HG21      THR  31   1.885  17.688  -4.160
  216   2HG2  THR  31          HG22      THR  31   3.136  16.706  -3.397
  217   3HG2  THR  31          HG23      THR  31   2.866  18.365  -2.860
  218    H    GLU  32           HN       GLU  32   2.121  15.336  -4.739
  219    HA   GLU  32           HA       GLU  32   2.759  12.629  -4.362
  220   1HB   GLU  32          HB2       GLU  32   2.915  13.653  -6.548
  221   2HB   GLU  32          HB3       GLU  32   4.149  14.767  -5.979
  222   1HG   GLU  32          HG2       GLU  32   5.711  12.954  -5.684
  223   2HG   GLU  32          HG3       GLU  32   4.472  11.778  -6.120
  224    H    GLU  33           HN       GLU  33   4.655  15.562  -3.668
  225    HA   GLU  33           HA       GLU  33   6.849  14.103  -2.568
  226   1HB   GLU  33          HB2       GLU  33   6.098  17.020  -2.306
  227   2HB   GLU  33          HB3       GLU  33   7.626  16.327  -1.782
  228   1HG   GLU  33          HG2       GLU  33   8.151  15.710  -4.075
  229   2HG   GLU  33          HG3       GLU  33   6.604  16.361  -4.613
  230    H    LEU  34           HN       LEU  34   3.784  14.741  -1.447
  231    HA   LEU  34           HA       LEU  34   4.429  15.025   1.356
  232   1HB   LEU  34          HB2       LEU  34   2.070  15.220  -0.333
  233   2HB   LEU  34          HB3       LEU  34   1.754  14.385   1.166
  234    HG   LEU  34           HG       LEU  34   2.930  17.130   0.948
  235   1HD1  LEU  34          HD11      LEU  34   0.179  16.282   1.809
  236   2HD1  LEU  34          HD12      LEU  34   0.791  17.933   1.696
  237   3HD1  LEU  34          HD13      LEU  34   0.575  16.970   0.233
  238   1HD2  LEU  34          HD21      LEU  34   2.000  15.573   3.353
  239   2HD2  LEU  34          HD22      LEU  34   3.676  15.934   2.944
  240   3HD2  LEU  34          HD23      LEU  34   2.569  17.241   3.360
  241    H    LEU  35           HN       LEU  35   2.728  12.612  -0.620
  242    HA   LEU  35           HA       LEU  35   2.101  10.728   1.189
  243   1HB   LEU  35          HB2       LEU  35   1.919   9.249  -0.572
  244   2HB   LEU  35          HB3       LEU  35   1.733  10.809  -1.325
  245    HG   LEU  35           HG       LEU  35   4.353  10.495  -1.717
  246   1HD1  LEU  35          HD11      LEU  35   4.620   8.385  -0.652
  247   2HD1  LEU  35          HD12      LEU  35   3.236   7.707  -1.511
  248   3HD1  LEU  35          HD13      LEU  35   4.711   8.103  -2.390
  249   1HD2  LEU  35          HD21      LEU  35   3.793   9.639  -3.952
  250   2HD2  LEU  35          HD22      LEU  35   2.165   9.266  -3.388
  251   3HD2  LEU  35          HD23      LEU  35   2.714  10.940  -3.447
  252    H    ARG  36           HN       ARG  36   5.327  11.244  -0.167
  253    HA   ARG  36           HA       ARG  36   6.466   8.896   0.973
  254   1HB   ARG  36          HB2       ARG  36   7.354  11.077  -0.657
  255   2HB   ARG  36          HB3       ARG  36   8.470  10.884   0.688
  256   1HG   ARG  36          HG2       ARG  36   9.307   9.565  -1.073
  257   2HG   ARG  36          HG3       ARG  36   8.592   8.442   0.088
  258   1HD   ARG  36          HD2       ARG  36   8.065   7.962  -2.314
  259   2HD   ARG  36          HD3       ARG  36   6.660   8.149  -1.266
  260    HE   ARG  36           HE       ARG  36   7.117  10.637  -2.343
  261   1HH1  ARG  36          HH12      ARG  36   6.447   7.444  -3.561
  262   2HH1  ARG  36          HH11      ARG  36   5.631   8.013  -4.979
  263   1HH2  ARG  36          HH22      ARG  36   6.042  11.396  -4.209
  264   2HH2  ARG  36          HH21      ARG  36   5.400  10.258  -5.346
  265    H    SER  37           HN       SER  37   6.485  12.312   1.916
  266    HA   SER  37           HA       SER  37   7.926  11.876   4.325
  267   1HB   SER  37          HB2       SER  37   7.995  14.037   3.225
  268   2HB   SER  37          HB3       SER  37   6.254  14.228   3.424
  269    HG   SER  37           HG       SER  37   6.668  15.032   5.309
  270    H    GLN  38           HN       GLN  38   4.594  11.495   3.510
  271    HA   GLN  38           HA       GLN  38   3.461  12.110   6.031
  272   1HB   GLN  38          HB2       GLN  38   2.497  10.433   3.723
  273   2HB   GLN  38          HB3       GLN  38   1.548  10.655   5.186
  274   1HG   GLN  38          HG2       GLN  38   1.619  13.100   4.805
  275   2HG   GLN  38          HG3       GLN  38   2.457  12.803   3.284
  276   1HE2  GLN  38          HE21      GLN  38  -0.551  12.559   5.001
  277   2HE2  GLN  38          HE22      GLN  38  -1.546  12.243   3.624
  278    H    LEU  39           HN       LEU  39   5.217   9.354   4.896
  279    HA   LEU  39           HA       LEU  39   4.793   8.090   7.498
  280   1HB   LEU  39          HB2       LEU  39   4.493   6.636   4.871
  281   2HB   LEU  39          HB3       LEU  39   4.527   5.869   6.446
  282    HG   LEU  39           HG       LEU  39   2.498   7.577   6.856
  283   1HD1  LEU  39          HD11      LEU  39   2.315   6.899   3.925
  284   2HD1  LEU  39          HD12      LEU  39   1.098   7.729   4.891
  285   3HD1  LEU  39          HD13      LEU  39   2.651   8.500   4.579
  286   1HD2  LEU  39          HD21      LEU  39   2.279   4.906   5.475
  287   2HD2  LEU  39          HD22      LEU  39   2.452   5.166   7.211
  288   3HD2  LEU  39          HD23      LEU  39   0.997   5.713   6.377
  289    H    TYR  40           HN       TYR  40   6.576   7.899   4.421
  290    HA   TYR  40           HA       TYR  40   8.929   7.025   5.962
  291   1HB   TYR  40          HB2       TYR  40   9.639   6.289   3.496
  292   2HB   TYR  40          HB3       TYR  40   8.714   5.244   4.559
  293    HD1  TYR  40           HD1      TYR  40   6.123   5.392   4.333
  294    HD2  TYR  40           HD2      TYR  40   8.843   6.747   1.355
  295    HE1  TYR  40           HE1      TYR  40   4.340   5.252   2.648
  296    HE2  TYR  40           HE2      TYR  40   7.066   6.605  -0.338
  297    HH   TYR  40           HH       TYR  40   3.785   6.200   0.468
  298    HA   PRO  41           HA       PRO  41   9.970  11.237   4.381
  299   1HB   PRO  41          HB2       PRO  41  11.510  11.910   6.521
  300   2HB   PRO  41          HB3       PRO  41   9.757  12.133   6.482
  301   1HG   PRO  41          HG2       PRO  41  11.360   9.934   7.730
  302   2HG   PRO  41          HG3       PRO  41   9.953  10.800   8.376
  303   1HD   PRO  41          HD2       PRO  41   9.757   8.341   7.271
  304   2HD   PRO  41          HD3       PRO  41   8.458   9.545   7.146
  305    H    GLU  42           HN       GLU  42  11.866   8.551   5.544
  306    HA   GLU  42           HA       GLU  42  14.410   9.545   4.750
  307   1HB   GLU  42          HB2       GLU  42  15.180   7.232   5.036
  308   2HB   GLU  42          HB3       GLU  42  14.205   7.759   6.401
  309   1HG   GLU  42          HG2       GLU  42  12.281   6.555   5.480
  310   2HG   GLU  42          HG3       GLU  42  13.280   6.010   4.132
  311    H    VAL  43           HN       VAL  43  11.872   7.742   3.139
  312    HA   VAL  43           HA       VAL  43  13.501   7.272   0.788
  313    HB   VAL  43           HB       VAL  43  10.814   6.405   1.701
  314   1HG1  VAL  43          HG11      VAL  43  10.209   5.669  -0.605
  315   2HG1  VAL  43          HG12      VAL  43  10.141   7.416  -0.366
  316   3HG1  VAL  43          HG13      VAL  43  11.506   6.693  -1.219
  317   1HG2  VAL  43          HG21      VAL  43  11.577   4.278   0.717
  318   2HG2  VAL  43          HG22      VAL  43  13.055   5.081   0.183
  319   3HG2  VAL  43          HG23      VAL  43  12.710   4.925   1.907
  320    HA   PRO  44           HA       PRO  44  12.044  11.091  -1.044
  321   1HB   PRO  44          HB2       PRO  44  13.553  10.587  -3.403
  322   2HB   PRO  44          HB3       PRO  44  14.009  11.611  -2.043
  323   1HG   PRO  44          HG2       PRO  44  15.262   9.235  -2.775
  324   2HG   PRO  44          HG3       PRO  44  15.413  10.042  -1.205
  325   1HD   PRO  44          HD2       PRO  44  13.725   7.710  -1.988
  326   2HD   PRO  44          HD3       PRO  44  14.548   8.047  -0.449
  327    HA   PRO  45           HA       PRO  45   8.906   9.690  -3.835
  328   1HB   PRO  45          HB2       PRO  45   8.866  12.230  -5.248
  329   2HB   PRO  45          HB3       PRO  45   7.695  11.579  -4.105
  330   1HG   PRO  45          HG2       PRO  45   9.275  13.710  -3.527
  331   2HG   PRO  45          HG3       PRO  45   8.693  12.574  -2.293
  332   1HD   PRO  45          HD2       PRO  45  11.371  12.701  -3.639
  333   2HD   PRO  45          HD3       PRO  45  10.981  12.422  -1.927
  334    H    GLU  46           HN       GLU  46  11.769   9.388  -4.664
  335    HA   GLU  46           HA       GLU  46  11.259   9.019  -7.523
  336   1HB   GLU  46          HB2       GLU  46  13.784  10.240  -6.390
  337   2HB   GLU  46          HB3       GLU  46  13.511   9.831  -8.079
  338   1HG   GLU  46          HG2       GLU  46  11.748  11.479  -8.227
  339   2HG   GLU  46          HG3       GLU  46  11.922  11.851  -6.513
  340    H    GLU  47           HN       GLU  47  13.102   8.212  -4.644
  341    HA   GLU  47           HA       GLU  47  14.221   5.840  -5.937
  342   1HB   GLU  47          HB2       GLU  47  14.803   7.320  -3.402
  343   2HB   GLU  47          HB3       GLU  47  15.304   5.642  -3.557
  344   1HG   GLU  47          HG2       GLU  47  16.600   6.207  -5.543
  345   2HG   GLU  47          HG3       GLU  47  16.081   7.887  -5.408
  346    H    PHE  48           HN       PHE  48  11.358   6.469  -4.715
  347    HA   PHE  48           HA       PHE  48  11.048   4.332  -2.810
  348   1HB   PHE  48          HB2       PHE  48   8.753   4.973  -2.705
  349   2HB   PHE  48          HB3       PHE  48   9.686   6.461  -2.832
  350    HD1  PHE  48           HD1      PHE  48   9.891   7.542  -5.126
  351    HD2  PHE  48           HD2      PHE  48   7.059   4.494  -4.231
  352    HE1  PHE  48           HE1      PHE  48   8.554   8.218  -7.078
  353    HE2  PHE  48           HE2      PHE  48   5.717   5.164  -6.183
  354    HZ   PHE  48           HZ       PHE  48   6.471   7.020  -7.615
  355    H    ARG  49           HN       ARG  49  10.851   4.692  -6.223
  356    HA   ARG  49           HA       ARG  49   9.050   2.684  -6.912
  357   1HB   ARG  49          HB2       ARG  49  10.470   4.490  -8.308
  358   2HB   ARG  49          HB3       ARG  49  11.399   3.042  -8.671
  359   1HG   ARG  49          HG2       ARG  49   9.818   3.243 -10.397
  360   2HG   ARG  49          HG3       ARG  49   9.213   1.965  -9.341
  361   1HD   ARG  49          HD2       ARG  49   7.718   3.579  -8.258
  362   2HD   ARG  49          HD3       ARG  49   8.316   4.845  -9.328
  363    HE   ARG  49           HE       ARG  49   7.267   2.589 -10.746
  364   1HH1  ARG  49          HH12      ARG  49   6.431   5.564  -9.131
  365   2HH1  ARG  49          HH11      ARG  49   4.965   5.787 -10.026
  366   1HH2  ARG  49          HH22      ARG  49   5.338   2.877 -11.928
  367   2HH2  ARG  49          HH21      ARG  49   4.345   4.262 -11.617
  368    HA   PRO  50           HA       PRO  50  12.942  -0.314  -7.332
  369   1HB   PRO  50          HB2       PRO  50  14.743   0.195  -5.262
  370   2HB   PRO  50          HB3       PRO  50  14.992   0.578  -6.967
  371   1HG   PRO  50          HG2       PRO  50  14.073   2.336  -4.742
  372   2HG   PRO  50          HG3       PRO  50  15.132   2.716  -6.112
  373   1HD   PRO  50          HD2       PRO  50  12.583   3.517  -6.069
  374   2HD   PRO  50          HD3       PRO  50  13.347   2.976  -7.579
  375    H    PHE  51           HN       PHE  51  11.912   1.021  -4.203
  376    HA   PHE  51           HA       PHE  51  11.855  -1.656  -3.057
  377   1HB   PHE  51          HB2       PHE  51  12.233   0.887  -1.966
  378   2HB   PHE  51          HB3       PHE  51  10.634   0.401  -1.411
  379    HD1  PHE  51           HD1      PHE  51  10.518  -2.098  -0.527
  380    HD2  PHE  51           HD2      PHE  51  14.042   0.284  -0.691
  381    HE1  PHE  51           HE1      PHE  51  11.549  -3.510   1.206
  382    HE2  PHE  51           HE2      PHE  51  15.078  -1.123   1.040
  383    HZ   PHE  51           HZ       PHE  51  13.832  -3.024   1.991
  384    H    LEU  52           HN       LEU  52   9.775   0.508  -4.658
  385    HA   LEU  52           HA       LEU  52   7.345  -0.666  -3.600
  386   1HB   LEU  52          HB2       LEU  52   7.779   1.817  -4.294
  387   2HB   LEU  52          HB3       LEU  52   7.420   1.232  -5.906
  388    HG   LEU  52           HG       LEU  52   5.236   0.353  -4.972
  389   1HD1  LEU  52          HD11      LEU  52   5.796   2.244  -2.705
  390   2HD1  LEU  52          HD12      LEU  52   4.443   1.130  -2.894
  391   3HD1  LEU  52          HD13      LEU  52   6.062   0.505  -2.584
  392   1HD2  LEU  52          HD21      LEU  52   4.148   2.513  -5.114
  393   2HD2  LEU  52          HD22      LEU  52   5.692   3.330  -4.863
  394   3HD2  LEU  52          HD23      LEU  52   5.419   2.390  -6.331
  395    H    ALA  53           HN       ALA  53   9.570  -1.388  -5.988
  396    HA   ALA  53           HA       ALA  53   8.100  -2.194  -8.186
  397   1HB   ALA  53          HB1       ALA  53   9.893  -3.782  -8.653
  398   2HB   ALA  53          HB2       ALA  53  10.555  -2.242  -8.102
  399   3HB   ALA  53          HB3       ALA  53  10.483  -3.618  -6.999
  400    H    LYS  54           HN       LYS  54   8.434  -3.667  -5.062
  401    HA   LYS  54           HA       LYS  54   6.778  -5.946  -5.880
  402   1HB   LYS  54          HB2       LYS  54   8.321  -5.498  -3.318
  403   2HB   LYS  54          HB3       LYS  54   7.471  -6.971  -3.766
  404   1HG   LYS  54          HG2       LYS  54   9.015  -7.474  -5.463
  405   2HG   LYS  54          HG3       LYS  54   9.702  -5.849  -5.428
  406   1HD   LYS  54          HD2       LYS  54  11.225  -7.365  -4.344
  407   2HD   LYS  54          HD3       LYS  54  10.520  -6.296  -3.130
  408   1HE   LYS  54          HE2       LYS  54   8.911  -8.066  -2.542
  409   2HE   LYS  54          HE3       LYS  54   9.676  -9.132  -3.720
  410   1HZ   LYS  54          HZ1       LYS  54  11.733  -8.986  -2.461
  411   2HZ   LYS  54          HZ2       LYS  54  10.478  -9.564  -1.486
  412   3HZ   LYS  54          HZ3       LYS  54  10.998  -7.963  -1.331
  413    H    MET  55           HN       MET  55   6.557  -2.929  -4.519
  414    HA   MET  55           HA       MET  55   4.108  -3.600  -3.025
  415   1HB   MET  55          HB2       MET  55   6.320  -1.679  -2.530
  416   2HB   MET  55          HB3       MET  55   4.694  -1.147  -2.110
  417   1HG   MET  55          HG2       MET  55   5.935  -3.710  -1.129
  418   2HG   MET  55          HG3       MET  55   5.942  -2.188  -0.236
  419   1HE   MET  55          HE1       MET  55   3.787  -1.007   0.699
  420   2HE   MET  55          HE2       MET  55   3.082  -0.983  -0.917
  421   3HE   MET  55          HE3       MET  55   2.146  -1.601   0.444
  422    H    ARG  56           HN       ARG  56   4.490  -2.999  -5.945
  423    HA   ARG  56           HA       ARG  56   2.956  -0.510  -6.180
  424   1HB   ARG  56          HB2       ARG  56   4.755  -2.027  -7.995
  425   2HB   ARG  56          HB3       ARG  56   3.424  -1.152  -8.737
  426   1HG   ARG  56          HG2       ARG  56   4.201   0.921  -7.742
  427   2HG   ARG  56          HG3       ARG  56   5.503   0.057  -6.925
  428   1HD   ARG  56          HD2       ARG  56   6.310   1.175  -8.939
  429   2HD   ARG  56          HD3       ARG  56   6.450  -0.576  -9.080
  430    HE   ARG  56           HE       ARG  56   4.005   0.185 -10.191
  431   1HH1  ARG  56          HH12      ARG  56   7.414   0.570 -10.801
  432   2HH1  ARG  56          HH11      ARG  56   7.221   0.725 -12.515
  433   1HH2  ARG  56          HH22      ARG  56   3.741   0.388 -12.447
  434   2HH2  ARG  56          HH21      ARG  56   5.132   0.623 -13.451
  435    H    GLY  57           HN       GLY  57   2.841  -3.943  -6.954
  436   1HA   GLY  57          HA1       GLY  57   0.563  -4.012  -8.548
  437   2HA   GLY  57          HA2       GLY  57   1.091  -5.321  -7.499
  438    H    ILE  58           HN       ILE  58   0.820  -3.636  -5.082
  439    HA   ILE  58           HA       ILE  58  -1.941  -4.219  -4.568
  440    HB   ILE  58           HB       ILE  58  -0.010  -2.763  -2.763
  441   1HG1  ILE  58          HG12      ILE  58  -0.232  -5.393  -1.884
  442   2HG1  ILE  58          HG13      ILE  58  -0.071  -5.541  -3.630
  443   1HG2  ILE  58          HG21      ILE  58  -1.452  -3.606  -0.977
  444   2HG2  ILE  58          HG22      ILE  58  -2.350  -2.594  -2.110
  445   3HG2  ILE  58          HG23      ILE  58  -2.505  -4.349  -2.181
  446   1HD1  ILE  58          HD11      ILE  58   1.975  -4.189  -3.533
  447   2HD1  ILE  58          HD12      ILE  58   1.820  -4.114  -1.778
  448   3HD1  ILE  58          HD13      ILE  58   2.090  -5.665  -2.574
  449    H    LEU  59           HN       LEU  59   0.024  -1.310  -4.962
  450    HA   LEU  59           HA       LEU  59  -1.933   0.574  -4.248
  451   1HB   LEU  59          HB2       LEU  59   0.428   1.139  -4.430
  452   2HB   LEU  59          HB3       LEU  59   0.401   0.813  -6.149
  453    HG   LEU  59           HG       LEU  59   0.377   3.261  -5.357
  454   1HD1  LEU  59          HD11      LEU  59  -0.880   3.958  -7.263
  455   2HD1  LEU  59          HD12      LEU  59  -0.032   2.469  -7.676
  456   3HD1  LEU  59          HD13      LEU  59  -1.756   2.429  -7.311
  457   1HD2  LEU  59          HD21      LEU  59  -1.408   2.973  -3.683
  458   2HD2  LEU  59          HD22      LEU  59  -1.789   4.217  -4.873
  459   3HD2  LEU  59          HD23      LEU  59  -2.548   2.629  -4.984
  460    H    LYS  60           HN       LYS  60  -1.011  -0.713  -7.433
  461    HA   LYS  60           HA       LYS  60  -2.983   0.744  -8.864
  462   1HB   LYS  60          HB2       LYS  60  -2.414  -0.688 -10.746
  463   2HB   LYS  60          HB3       LYS  60  -0.951  -0.164  -9.924
  464   1HG   LYS  60          HG2       LYS  60  -0.432  -2.351 -10.179
  465   2HG   LYS  60          HG3       LYS  60  -1.307  -2.471  -8.652
  466   1HD   LYS  60          HD2       LYS  60  -3.341  -3.081  -9.853
  467   2HD   LYS  60          HD3       LYS  60  -2.491  -2.924 -11.391
  468   1HE   LYS  60          HE2       LYS  60  -0.990  -4.737 -10.759
  469   2HE   LYS  60          HE3       LYS  60  -1.795  -4.873  -9.196
  470   1HZ   LYS  60          HZ1       LYS  60  -3.840  -5.468 -10.356
  471   2HZ   LYS  60          HZ2       LYS  60  -2.594  -6.550 -10.723
  472   3HZ   LYS  60          HZ3       LYS  60  -3.043  -5.367 -11.845
  473    H    SER  61           HN       SER  61  -3.111  -2.053  -6.918
  474    HA   SER  61           HA       SER  61  -5.425  -3.221  -8.180
  475   1HB   SER  61          HB2       SER  61  -3.784  -4.625  -6.989
  476   2HB   SER  61          HB3       SER  61  -4.178  -3.799  -5.481
  477    HG   SER  61           HG       SER  61  -5.604  -5.717  -6.884
  478    H    ILE  62           HN       ILE  62  -4.763  -1.272  -5.308
  479    HA   ILE  62           HA       ILE  62  -7.548  -1.252  -4.528
  480    HB   ILE  62           HB       ILE  62  -5.240   0.337  -3.406
  481   1HG1  ILE  62          HG12      ILE  62  -6.502  -2.219  -2.384
  482   2HG1  ILE  62          HG13      ILE  62  -4.972  -2.141  -3.251
  483   1HG2  ILE  62          HG21      ILE  62  -7.397   1.342  -2.899
  484   2HG2  ILE  62          HG22      ILE  62  -7.995  -0.205  -2.300
  485   3HG2  ILE  62          HG23      ILE  62  -6.694   0.627  -1.448
  486   1HD1  ILE  62          HD11      ILE  62  -4.045  -0.754  -1.455
  487   2HD1  ILE  62          HD12      ILE  62  -5.571  -0.890  -0.582
  488   3HD1  ILE  62          HD13      ILE  62  -4.594  -2.328  -0.877
  489    H    ALA  63           HN       ALA  63  -5.225   1.154  -5.757
  490    HA   ALA  63           HA       ALA  63  -7.285   3.174  -5.931
  491   1HB   ALA  63          HB1       ALA  63  -4.426   3.292  -6.867
  492   2HB   ALA  63          HB2       ALA  63  -5.531   4.654  -6.677
  493   3HB   ALA  63          HB3       ALA  63  -4.994   3.748  -5.261
  494    H    SER  64           HN       SER  64  -5.032   1.824  -8.354
  495    HA   SER  64           HA       SER  64  -6.471   2.919 -10.541
  496   1HB   SER  64          HB2       SER  64  -4.081   2.495 -10.689
  497   2HB   SER  64          HB3       SER  64  -4.354   0.763 -10.494
  498    HG   SER  64           HG       SER  64  -5.626   0.903 -12.456
  499    H    ALA  65           HN       ALA  65  -7.013   0.059  -8.722
  500    HA   ALA  65           HA       ALA  65  -8.741  -0.930 -10.897
  501   1HB   ALA  65          HB1       ALA  65  -7.299  -2.606  -8.854
  502   2HB   ALA  65          HB2       ALA  65  -8.373  -3.205 -10.117
  503   3HB   ALA  65          HB3       ALA  65  -6.851  -2.425 -10.548
  504    H    ASP  66           HN       ASP  66  -8.392  -0.545  -7.402
  505    HA   ASP  66           HA       ASP  66  -9.911  -0.509  -5.707
  506   1HB   ASP  66          HB2       ASP  66 -10.856   1.354  -6.967
  507   2HB   ASP  66          HB3       ASP  66 -11.787   0.239  -7.961
  508    H    MET  67           HN       MET  67  -9.877  -2.659  -5.116
  509    HA   MET  67           HA       MET  67 -11.949  -4.385  -6.300
  510   1HB   MET  67          HB2       MET  67  -9.636  -5.344  -4.631
  511   2HB   MET  67          HB3       MET  67 -10.643  -6.272  -5.732
  512   1HG   MET  67          HG2       MET  67  -8.805  -4.077  -6.641
  513   2HG   MET  67          HG3       MET  67  -8.315  -5.764  -6.526
  514   1HE   MET  67          HE1       MET  67 -10.402  -7.534  -9.229
  515   2HE   MET  67          HE2       MET  67  -8.980  -7.625  -8.189
  516   3HE   MET  67          HE3       MET  67 -10.586  -7.497  -7.475
  517    H    ASP  68           HN       ASP  68 -12.606  -6.167  -4.585
  518    HA   ASP  68           HA       ASP  68 -13.679  -4.687  -2.315
  519   1HB   ASP  68          HB2       ASP  68 -14.305  -7.421  -3.438
  520   2HB   ASP  68          HB3       ASP  68 -15.048  -6.778  -1.976
  521    H    PHE  69           HN       PHE  69 -14.072  -6.650  -0.456
  522    HA   PHE  69           HA       PHE  69 -11.436  -6.866   0.689
  523   1HB   PHE  69          HB2       PHE  69 -12.677  -7.865   2.635
  524   2HB   PHE  69          HB3       PHE  69 -13.208  -6.250   2.178
  525    HD1  PHE  69           HD1      PHE  69 -14.084  -9.802   2.241
  526    HD2  PHE  69           HD2      PHE  69 -15.395  -5.879   1.242
  527    HE1  PHE  69           HE1      PHE  69 -16.396 -10.625   2.055
  528    HE2  PHE  69           HE2      PHE  69 -17.709  -6.695   1.056
  529    HZ   PHE  69           HZ       PHE  69 -18.211  -9.069   1.450
  530    H    ASN  70           HN       ASN  70 -13.753  -8.997  -0.827
  531    HA   ASN  70           HA       ASN  70 -12.243 -11.371  -0.082
  532   1HB   ASN  70          HB2       ASN  70 -14.729 -11.404  -0.103
  533   2HB   ASN  70          HB3       ASN  70 -14.692 -11.127  -1.840
  534   1HD2  ASN  70          HD21      ASN  70 -12.370 -13.134  -0.184
  535   2HD2  ASN  70          HD22      ASN  70 -12.912 -14.638  -0.837
  536    H    GLN  71           HN       GLN  71 -12.206  -9.062  -2.525
  537    HA   GLN  71           HA       GLN  71 -11.242 -10.860  -4.595
  538   1HB   GLN  71          HB2       GLN  71 -11.585  -7.857  -4.567
  539   2HB   GLN  71          HB3       GLN  71 -11.068  -8.794  -5.964
  540   1HG   GLN  71          HG2       GLN  71 -13.224 -10.058  -5.790
  541   2HG   GLN  71          HG3       GLN  71 -13.729  -8.887  -4.574
  542   1HE2  GLN  71          HE21      GLN  71 -15.443  -8.194  -5.853
  543   2HE2  GLN  71          HE22      GLN  71 -15.206  -7.201  -7.245
  544    H    LEU  72           HN       LEU  72 -10.008  -8.316  -2.482
  545    HA   LEU  72           HA       LEU  72  -7.387  -8.269  -3.573
  546   1HB   LEU  72          HB2       LEU  72  -8.450  -7.412  -0.884
  547   2HB   LEU  72          HB3       LEU  72  -6.792  -7.181  -1.386
  548    HG   LEU  72           HG       LEU  72  -9.217  -5.947  -2.673
  549   1HD1  LEU  72          HD11      LEU  72  -6.978  -4.644  -1.145
  550   2HD1  LEU  72          HD12      LEU  72  -8.470  -3.898  -1.722
  551   3HD1  LEU  72          HD13      LEU  72  -8.524  -5.098  -0.427
  552   1HD2  LEU  72          HD21      LEU  72  -7.595  -4.678  -4.009
  553   2HD2  LEU  72          HD22      LEU  72  -6.281  -5.620  -3.302
  554   3HD2  LEU  72          HD23      LEU  72  -7.481  -6.409  -4.327
  555    H    GLU  73           HN       GLU  73  -8.966 -10.217  -1.157
  556    HA   GLU  73           HA       GLU  73  -6.796 -11.251   0.227
  557   1HB   GLU  73          HB2       GLU  73  -9.154 -11.617   0.845
  558   2HB   GLU  73          HB3       GLU  73  -9.343 -12.688  -0.535
  559   1HG   GLU  73          HG2       GLU  73  -7.696 -14.215   0.419
  560   2HG   GLU  73          HG3       GLU  73  -7.503 -13.139   1.803
  561    H    ALA  74           HN       ALA  74  -7.973 -12.034  -2.966
  562    HA   ALA  74           HA       ALA  74  -6.351 -14.415  -3.196
  563   1HB   ALA  74          HB1       ALA  74  -8.520 -14.271  -4.326
  564   2HB   ALA  74          HB2       ALA  74  -7.917 -12.934  -5.306
  565   3HB   ALA  74          HB3       ALA  74  -7.205 -14.539  -5.471
  566    H    PHE  75           HN       PHE  75  -5.912 -11.063  -3.664
  567    HA   PHE  75           HA       PHE  75  -3.815 -11.334  -5.640
  568   1HB   PHE  75          HB2       PHE  75  -5.313  -9.390  -5.694
  569   2HB   PHE  75          HB3       PHE  75  -4.750  -8.910  -4.095
  570    HD1  PHE  75           HD1      PHE  75  -2.586  -7.917  -3.783
  571    HD2  PHE  75           HD2      PHE  75  -3.898  -9.142  -7.642
  572    HE1  PHE  75           HE1      PHE  75  -0.754  -6.633  -4.814
  573    HE2  PHE  75           HE2      PHE  75  -2.071  -7.862  -8.678
  574    HZ   PHE  75           HZ       PHE  75  -0.495  -6.605  -7.263
  575    H    LEU  76           HN       LEU  76  -4.080 -10.508  -2.215
  576    HA   LEU  76           HA       LEU  76  -1.414  -9.874  -1.704
  577   1HB   LEU  76          HB2       LEU  76  -3.632  -9.813  -0.265
  578   2HB   LEU  76          HB3       LEU  76  -3.031 -11.348   0.324
  579    HG   LEU  76           HG       LEU  76  -2.449  -9.491   1.813
  580   1HD1  LEU  76          HD11      LEU  76  -0.976 -11.479   1.608
  581   2HD1  LEU  76          HD12      LEU  76   0.017 -10.563   0.473
  582   3HD1  LEU  76          HD13      LEU  76  -0.149 -10.016   2.141
  583   1HD2  LEU  76          HD21      LEU  76  -0.440  -8.391  -0.033
  584   2HD2  LEU  76          HD22      LEU  76  -2.120  -7.988  -0.382
  585   3HD2  LEU  76          HD23      LEU  76  -1.427  -7.589   1.188
  586    H    THR  77           HN       THR  77  -2.873 -12.914  -2.364
  587    HA   THR  77           HA       THR  77  -0.789 -14.479  -1.099
  588    HB   THR  77           HB       THR  77  -2.935 -15.482  -2.971
  589    HG1  THR  77           HG1      THR  77  -3.918 -14.390  -1.225
  590   1HG2  THR  77          HG21      THR  77  -1.334 -16.826  -0.789
  591   2HG2  THR  77          HG22      THR  77  -1.129 -17.059  -2.525
  592   3HG2  THR  77          HG23      THR  77  -2.615 -17.586  -1.734
  593    H    ALA  78           HN       ALA  78  -1.498 -13.124  -4.188
  594    HA   ALA  78           HA       ALA  78   0.268 -14.859  -5.668
  595   1HB   ALA  78          HB1       ALA  78  -0.250 -13.432  -7.568
  596   2HB   ALA  78          HB2       ALA  78  -1.726 -13.896  -6.722
  597   3HB   ALA  78          HB3       ALA  78  -1.053 -12.280  -6.503
  598    H    GLN  79           HN       GLN  79   0.461 -11.836  -3.990
  599    HA   GLN  79           HA       GLN  79   2.945 -11.056  -5.237
  600   1HB   GLN  79          HB2       GLN  79   2.885  -9.192  -3.585
  601   2HB   GLN  79          HB3       GLN  79   1.453  -9.294  -4.595
  602   1HG   GLN  79          HG2       GLN  79   0.261 -10.414  -2.775
  603   2HG   GLN  79          HG3       GLN  79   1.689 -10.245  -1.755
  604   1HE2  GLN  79          HE21      GLN  79   2.353  -8.142  -1.147
  605   2HE2  GLN  79          HE22      GLN  79   1.235  -6.829  -1.121
  606    H    THR  80           HN       THR  80   2.263 -13.421  -3.188
  607    HA   THR  80           HA       THR  80   4.786 -13.120  -1.696
  608    HB   THR  80           HB       THR  80   3.841 -14.502   0.088
  609    HG1  THR  80           HG1      THR  80   2.113 -15.247  -1.689
  610   1HG2  THR  80          HG21      THR  80   3.593 -12.079   0.267
  611   2HG2  THR  80          HG22      THR  80   2.197 -12.897   0.968
  612   3HG2  THR  80          HG23      THR  80   2.076 -12.156  -0.627
  613    H    LYS  81           HN       LYS  81   3.383 -14.652  -4.196
  614    HA   LYS  81           HA       LYS  81   4.958 -17.110  -3.799
  615   1HB   LYS  81          HB2       LYS  81   3.342 -18.211  -5.349
  616   2HB   LYS  81          HB3       LYS  81   2.623 -17.686  -3.834
  617   1HG   LYS  81          HG2       LYS  81   1.678 -15.745  -4.930
  618   2HG   LYS  81          HG3       LYS  81   2.447 -16.205  -6.447
  619   1HD   LYS  81          HD2       LYS  81   0.049 -16.815  -6.344
  620   2HD   LYS  81          HD3       LYS  81   1.108 -18.209  -6.572
  621   1HE   LYS  81          HE2       LYS  81   0.930 -18.730  -4.190
  622   2HE   LYS  81          HE3       LYS  81  -0.103 -17.322  -3.953
  623   1HZ   LYS  81          HZ1       LYS  81  -0.746 -19.653  -5.677
  624   2HZ   LYS  81          HZ2       LYS  81  -1.744 -18.314  -5.410
  625   3HZ   LYS  81          HZ3       LYS  81  -1.385 -19.368  -4.136
  626    H    LYS  82           HN       LYS  82   4.528 -14.296  -5.616
  627    HA   LYS  82           HA       LYS  82   5.356 -15.100  -8.181
  628   1HB   LYS  82          HB2       LYS  82   5.909 -12.741  -8.543
  629   2HB   LYS  82          HB3       LYS  82   4.355 -12.903  -7.740
  630   1HG   LYS  82          HG2       LYS  82   5.228 -12.187  -5.680
  631   2HG   LYS  82          HG3       LYS  82   6.891 -12.403  -6.225
  632   1HD   LYS  82          HD2       LYS  82   6.721 -10.138  -6.449
  633   2HD   LYS  82          HD3       LYS  82   6.141 -10.628  -8.040
  634   1HE   LYS  82          HE2       LYS  82   3.823 -10.497  -7.200
  635   2HE   LYS  82          HE3       LYS  82   4.441  -9.928  -5.648
  636   1HZ   LYS  82          HZ1       LYS  82   3.720  -8.082  -7.001
  637   2HZ   LYS  82          HZ2       LYS  82   4.746  -8.549  -8.262
  638   3HZ   LYS  82          HZ3       LYS  82   5.399  -8.012  -6.797
  639    H    GLN  83           HN       GLN  83   7.517 -13.956  -9.059
  640    HA   GLN  83           HA       GLN  83   9.666 -15.480  -8.106
  641   1HB   GLN  83          HB2       GLN  83   9.863 -12.894  -9.660
  642   2HB   GLN  83          HB3       GLN  83  11.058 -14.183  -9.595
  643   1HG   GLN  83          HG2       GLN  83   9.555 -15.678 -10.760
  644   2HG   GLN  83          HG3       GLN  83   8.295 -14.443 -10.761
  645   1HE2  GLN  83          HE21      GLN  83  11.334 -15.451 -12.115
  646   2HE2  GLN  83          HE22      GLN  83  11.335 -14.355 -13.450
  647    H    GLY  84           HN       GLY  84  10.047 -15.251  -5.941
  648   1HA   GLY  84          HA1       GLY  84  11.351 -14.282  -4.241
  649   2HA   GLY  84          HA2       GLY  84  11.328 -12.759  -5.123
  650    H    GLY  85           HN       GLY  85   9.189 -11.647  -5.237
  651   1HA   GLY  85          HA1       GLY  85   7.407 -10.666  -4.201
  652   2HA   GLY  85          HA2       GLY  85   7.035 -12.263  -3.573
  653    H    ILE  86           HN       ILE  86   6.368 -10.237  -2.035
  654    HA   ILE  86           HA       ILE  86   8.386  -9.355  -0.240
  655    HB   ILE  86           HB       ILE  86   6.526  -8.535   1.126
  656   1HG1  ILE  86          HG12      ILE  86   4.783  -9.984  -0.886
  657   2HG1  ILE  86          HG13      ILE  86   5.004 -10.455   0.794
  658   1HG2  ILE  86          HG21      ILE  86   6.262  -8.089  -1.845
  659   2HG2  ILE  86          HG22      ILE  86   5.493  -7.081  -0.617
  660   3HG2  ILE  86          HG23      ILE  86   7.252  -7.169  -0.712
  661   1HD1  ILE  86          HD11      ILE  86   3.968  -8.357   1.505
  662   2HD1  ILE  86          HD12      ILE  86   3.730  -7.911  -0.185
  663   3HD1  ILE  86          HD13      ILE  86   2.896  -9.314   0.483
  664    H    THR  87           HN       THR  87   8.023  -9.756   2.209
  665    HA   THR  87           HA       THR  87   8.233 -12.627   2.605
  666    HB   THR  87           HB       THR  87   9.014 -12.075   4.862
  667    HG1  THR  87           HG1      THR  87   7.636  -9.993   4.747
  668   1HG2  THR  87          HG21      THR  87  10.632 -12.087   3.018
  669   2HG2  THR  87          HG22      THR  87  11.068 -10.899   4.246
  670   3HG2  THR  87          HG23      THR  87  10.324 -10.375   2.737
  671    H    SER  88           HN       SER  88   7.316 -13.407   4.819
  672    HA   SER  88           HA       SER  88   4.506 -13.338   4.639
  673   1HB   SER  88          HB2       SER  88   6.260 -14.267   6.924
  674   2HB   SER  88          HB3       SER  88   4.543 -14.625   6.748
  675    HG   SER  88           HG       SER  88   5.682 -16.348   5.927
  676    H    ASP  89           HN       ASP  89   6.759 -11.797   6.907
  677    HA   ASP  89           HA       ASP  89   4.836 -10.609   8.568
  678   1HB   ASP  89          HB2       ASP  89   7.639  -9.674   7.919
  679   2HB   ASP  89          HB3       ASP  89   6.661  -9.083   9.257
  680    H    GLN  90           HN       GLN  90   6.019  -9.744   5.428
  681    HA   GLN  90           HA       GLN  90   5.014  -7.038   5.527
  682   1HB   GLN  90          HB2       GLN  90   6.169  -8.729   3.310
  683   2HB   GLN  90          HB3       GLN  90   5.570  -7.098   3.044
  684   1HG   GLN  90          HG2       GLN  90   7.195  -6.251   4.673
  685   2HG   GLN  90          HG3       GLN  90   7.806  -7.888   4.902
  686   1HE2  GLN  90          HE21      GLN  90   6.785  -6.605   1.815
  687   2HE2  GLN  90          HE22      GLN  90   8.355  -6.564   1.095
  688    H    ALA  91           HN       ALA  91   3.952 -10.165   4.411
  689    HA   ALA  91           HA       ALA  91   1.773  -9.252   2.825
  690   1HB   ALA  91          HB1       ALA  91   2.744 -11.441   2.467
  691   2HB   ALA  91          HB2       ALA  91   2.283 -11.940   4.095
  692   3HB   ALA  91          HB3       ALA  91   1.041 -11.602   2.890
  693    H    ALA  92           HN       ALA  92   2.239  -9.597   6.202
  694    HA   ALA  92           HA       ALA  92  -0.487 -10.041   6.936
  695   1HB   ALA  92          HB1       ALA  92   0.250  -9.634   9.203
  696   2HB   ALA  92          HB2       ALA  92   1.396 -10.685   8.371
  697   3HB   ALA  92          HB3       ALA  92   1.778  -8.981   8.613
  698    H    VAL  93           HN       VAL  93   1.606  -7.151   7.069
  699    HA   VAL  93           HA       VAL  93  -0.462  -5.454   7.999
  700    HB   VAL  93           HB       VAL  93   2.297  -5.219   7.625
  701   1HG1  VAL  93          HG11      VAL  93   1.981  -4.312   5.397
  702   2HG1  VAL  93          HG12      VAL  93   0.857  -3.108   6.024
  703   3HG1  VAL  93          HG13      VAL  93   2.556  -3.056   6.494
  704   1HG2  VAL  93          HG21      VAL  93   1.997  -3.107   8.856
  705   2HG2  VAL  93          HG22      VAL  93   0.260  -3.218   8.576
  706   3HG2  VAL  93          HG23      VAL  93   1.077  -4.441   9.549
  707    H    ILE  94           HN       ILE  94   0.579  -6.394   4.787
  708    HA   ILE  94           HA       ILE  94  -0.921  -4.299   3.482
  709    HB   ILE  94           HB       ILE  94   0.256  -6.773   2.214
  710   1HG1  ILE  94          HG12      ILE  94   1.517  -4.035   2.434
  711   2HG1  ILE  94          HG13      ILE  94   1.904  -5.366   3.519
  712   1HG2  ILE  94          HG21      ILE  94   0.259  -5.370   0.182
  713   2HG2  ILE  94          HG22      ILE  94  -1.365  -5.645   0.815
  714   3HG2  ILE  94          HG23      ILE  94  -0.563  -4.097   1.086
  715   1HD1  ILE  94          HD11      ILE  94   2.685  -6.680   1.614
  716   2HD1  ILE  94          HD12      ILE  94   2.313  -5.331   0.539
  717   3HD1  ILE  94          HD13      ILE  94   3.565  -5.159   1.772
  718    H    SER  95           HN       SER  95  -1.396  -7.732   4.190
  719    HA   SER  95           HA       SER  95  -3.643  -8.192   2.595
  720   1HB   SER  95          HB2       SER  95  -2.434  -9.993   3.749
  721   2HB   SER  95          HB3       SER  95  -3.000  -9.384   5.304
  722    HG   SER  95           HG       SER  95  -4.868 -10.297   4.973
  723    H    LYS  96           HN       LYS  96  -3.286  -6.208   5.306
  724    HA   LYS  96           HA       LYS  96  -6.022  -6.313   6.200
  725   1HB   LYS  96          HB2       LYS  96  -3.807  -4.385   6.915
  726   2HB   LYS  96          HB3       LYS  96  -5.336  -4.566   7.765
  727   1HG   LYS  96          HG2       LYS  96  -4.757  -6.630   8.640
  728   2HG   LYS  96          HG3       LYS  96  -3.495  -6.898   7.437
  729   1HD   LYS  96          HD2       LYS  96  -2.387  -6.404   9.472
  730   2HD   LYS  96          HD3       LYS  96  -2.266  -4.951   8.477
  731   1HE   LYS  96          HE2       LYS  96  -4.234  -4.029   9.683
  732   2HE   LYS  96          HE3       LYS  96  -4.202  -5.442  10.736
  733   1HZ   LYS  96          HZ1       LYS  96  -3.075  -3.609  11.783
  734   2HZ   LYS  96          HZ2       LYS  96  -2.049  -3.416  10.453
  735   3HZ   LYS  96          HZ3       LYS  96  -1.943  -4.809  11.405
  736    H    PHE  97           HN       PHE  97  -4.725  -5.085   3.502
  737    HA   PHE  97           HA       PHE  97  -5.496  -2.443   3.319
  738   1HB   PHE  97          HB2       PHE  97  -5.748  -2.948   0.802
  739   2HB   PHE  97          HB3       PHE  97  -4.175  -3.139   1.562
  740    HD1  PHE  97           HD1      PHE  97  -3.765  -4.384  -0.611
  741    HD2  PHE  97           HD2      PHE  97  -6.398  -5.826   2.405
  742    HE1  PHE  97           HE1      PHE  97  -3.566  -6.659  -1.531
  743    HE2  PHE  97           HE2      PHE  97  -6.196  -8.100   1.489
  744    HZ   PHE  97           HZ       PHE  97  -4.782  -8.516  -0.476
  745    H    TRP  98           HN       TRP  98  -7.674  -4.883   3.973
  746    HA   TRP  98           HA       TRP  98  -9.823  -3.168   2.947
  747   1HB   TRP  98          HB2       TRP  98 -11.212  -5.214   2.505
  748   2HB   TRP  98          HB3       TRP  98  -9.867  -4.963   1.402
  749    HD1  TRP  98           HD1      TRP  98  -8.321  -6.957   1.030
  750    HE1  TRP  98           HE1      TRP  98  -7.992  -9.260   2.128
  751    HE3  TRP  98           HE3      TRP  98 -11.450  -6.406   5.039
  752    HZ2  TRP  98           HZ2      TRP  98  -8.938 -10.663   4.383
  753    HZ3  TRP  98           HZ3      TRP  98 -11.686  -8.282   6.613
  754    HH2  TRP  98           HH2      TRP  98 -10.455 -10.365   6.291
  755    H    LYS  99           HN       LYS  99  -8.564  -4.998   5.562
  756    HA   LYS  99           HA       LYS  99 -11.075  -5.184   6.967
  757   1HB   LYS  99          HB2       LYS  99  -9.762  -6.046   8.837
  758   2HB   LYS  99          HB3       LYS  99  -9.355  -6.872   7.343
  759   1HG   LYS  99          HG2       LYS  99  -7.287  -6.546   8.290
  760   2HG   LYS  99          HG3       LYS  99  -7.413  -5.162   7.209
  761   1HD   LYS  99          HD2       LYS  99  -6.517  -4.576   9.438
  762   2HD   LYS  99          HD3       LYS  99  -8.007  -3.718   9.051
  763   1HE   LYS  99          HE2       LYS  99  -9.282  -5.242  10.429
  764   2HE   LYS  99          HE3       LYS  99  -7.840  -6.206  10.748
  765   1HZ   LYS  99          HZ1       LYS  99  -8.271  -3.388  11.582
  766   2HZ   LYS  99          HZ2       LYS  99  -6.865  -4.285  11.865
  767   3HZ   LYS  99          HZ3       LYS  99  -8.321  -4.743  12.595
  768    H    SER 100           HN       SER 100  -9.000  -2.688   6.327
  769    HA   SER 100           HA       SER 100  -9.300  -1.330   8.873
  770   1HB   SER 100          HB2       SER 100  -8.027   0.499   7.758
  771   2HB   SER 100          HB3       SER 100  -7.190  -1.052   7.712
  772    HG   SER 100           HG       SER 100  -7.151  -0.805   5.637
  773    H    HIS 101           HN       HIS 101 -11.024  -1.610   5.952
  774    HA   HIS 101           HA       HIS 101 -12.701   0.679   6.729
  775   1HB   HIS 101          HB2       HIS 101 -11.868  -0.051   3.915
  776   2HB   HIS 101          HB3       HIS 101 -13.078   1.161   4.320
  777    HD1  HIS 101           HD1      HIS 101 -12.228   3.389   5.350
  778    HD2  HIS 101           HD2      HIS 101  -9.218   0.744   4.249
  779    HE1  HIS 101           HE1      HIS 101 -10.103   4.734   5.391
  780    HE2  HIS 101           HE2      HIS 101  -8.299   3.122   4.685
  781    H    LYS 102           HN       LYS 102 -12.566  -2.597   6.238
  782    HA   LYS 102           HA       LYS 102 -15.469  -2.697   5.889
  783   1HB   LYS 102          HB2       LYS 102 -13.411  -4.355   4.434
  784   2HB   LYS 102          HB3       LYS 102 -15.106  -4.783   4.516
  785   1HG   LYS 102          HG2       LYS 102 -14.113  -2.173   3.417
  786   2HG   LYS 102          HG3       LYS 102 -14.399  -3.607   2.428
  787   1HD   LYS 102          HD2       LYS 102 -16.744  -3.623   3.140
  788   2HD   LYS 102          HD3       LYS 102 -16.454  -2.184   4.121
  789   1HE   LYS 102          HE2       LYS 102 -15.940  -0.890   2.157
  790   2HE   LYS 102          HE3       LYS 102 -16.044  -2.326   1.138
  791   1HZ   LYS 102          HZ1       LYS 102 -18.290  -1.121   2.663
  792   2HZ   LYS 102          HZ2       LYS 102 -18.392  -2.501   1.689
  793   3HZ   LYS 102          HZ3       LYS 102 -18.052  -0.998   0.993
  794    H    THR 103           HN       THR 103 -15.962  -3.229   7.944
  795    HA   THR 103           HA       THR 103 -15.642  -5.913   8.787
  796    HB   THR 103           HB       THR 103 -13.622  -5.720   9.774
  797    HG1  THR 103           HG1      THR 103 -14.506  -5.906  11.697
  798   1HG2  THR 103          HG21      THR 103 -14.080  -2.744   9.905
  799   2HG2  THR 103          HG22      THR 103 -12.982  -3.621   8.840
  800   3HG2  THR 103          HG23      THR 103 -12.654  -3.538  10.571
  801    H    LYS 104           HN       LYS 104 -15.705  -3.026  10.823
  802    HA   LYS 104           HA       LYS 104 -18.573  -3.442  11.303
  803   1HB   LYS 104          HB2       LYS 104 -16.355  -3.213  13.315
  804   2HB   LYS 104          HB3       LYS 104 -17.969  -2.645  13.721
  805   1HG   LYS 104          HG2       LYS 104 -17.955  -4.803  14.542
  806   2HG   LYS 104          HG3       LYS 104 -18.740  -4.989  12.974
  807   1HD   LYS 104          HD2       LYS 104 -16.600  -5.708  12.000
  808   2HD   LYS 104          HD3       LYS 104 -15.834  -5.536  13.579
  809   1HE   LYS 104          HE2       LYS 104 -17.366  -7.229  14.488
  810   2HE   LYS 104          HE3       LYS 104 -18.085  -7.418  12.889
  811   1HZ   LYS 104          HZ1       LYS 104 -16.443  -9.134  13.346
  812   2HZ   LYS 104          HZ2       LYS 104 -15.246  -7.961  13.571
  813   3HZ   LYS 104          HZ3       LYS 104 -15.954  -8.165  12.048
  814    H    ILE 105           HN       ILE 105 -16.754  -1.597   9.750
  815    HA   ILE 105           HA       ILE 105 -16.623   0.956  10.806
  816    HB   ILE 105           HB       ILE 105 -17.254   0.387   7.915
  817   1HG1  ILE 105          HG12      ILE 105 -15.503  -1.154   8.519
  818   2HG1  ILE 105          HG13      ILE 105 -14.800   0.164   7.589
  819   1HG2  ILE 105          HG21      ILE 105 -17.220   2.707   8.336
  820   2HG2  ILE 105          HG22      ILE 105 -15.783   2.578   9.352
  821   3HG2  ILE 105          HG23      ILE 105 -15.657   2.319   7.612
  822   1HD1  ILE 105          HD11      ILE 105 -13.989   1.182   9.651
  823   2HD1  ILE 105          HD12      ILE 105 -14.684  -0.149  10.576
  824   3HD1  ILE 105          HD13      ILE 105 -13.374  -0.457   9.438
  825    H    ARG 106           HN       ARG 106 -19.070  -0.033   8.403
  826    HA   ARG 106           HA       ARG 106 -20.806   2.120   9.151
  827   1HB   ARG 106          HB2       ARG 106 -20.682   1.298   6.838
  828   2HB   ARG 106          HB3       ARG 106 -21.308  -0.262   7.356
  829   1HG   ARG 106          HG2       ARG 106 -23.074   0.998   6.343
  830   2HG   ARG 106          HG3       ARG 106 -23.391   0.854   8.073
  831   1HD   ARG 106          HD2       ARG 106 -22.555   3.104   8.438
  832   2HD   ARG 106          HD3       ARG 106 -22.148   3.250   6.729
  833    HE   ARG 106           HE       ARG 106 -24.840   2.656   6.827
  834   1HH1  ARG 106          HH12      ARG 106 -22.752   5.191   7.989
  835   2HH1  ARG 106          HH11      ARG 106 -23.976   6.414   7.906
  836   1HH2  ARG 106          HH22      ARG 106 -26.457   4.257   6.712
  837   2HH2  ARG 106          HH21      ARG 106 -26.085   5.882   7.181
  838    H    GLU 107           HN       GLU 107 -21.143  -1.429   9.303
  839    HA   GLU 107           HA       GLU 107 -23.151  -1.062  11.426
  840   1HB   GLU 107          HB2       GLU 107 -22.731  -3.391   9.544
  841   2HB   GLU 107          HB3       GLU 107 -23.929  -3.341  10.829
  842   1HG   GLU 107          HG2       GLU 107 -23.831  -1.394   8.539
  843   2HG   GLU 107          HG3       GLU 107 -24.821  -2.853   8.563
  844    H    SER 108           HN       SER 108 -22.269  -1.302  13.375
  845    HA   SER 108           HA       SER 108 -20.060  -3.187  13.737
  846   1HB   SER 108          HB2       SER 108 -19.806  -2.106  15.961
  847   2HB   SER 108          HB3       SER 108 -19.693  -0.955  14.630
  848    HG   SER 108           HG       SER 108 -21.695  -1.279  16.550
  Start of MODEL   15
    1   1H    MET   1          H1        MET   1  24.725  -7.389  -1.116
    2   2H    MET   1          H2        MET   1  23.215  -7.901  -1.677
    3   3H    MET   1          H3        MET   1  23.990  -8.755  -0.440
    4    HA   MET   1           HA       MET   1  23.765  -6.933   1.065
    5   1HB   MET   1          HB2       MET   1  22.566  -4.904   0.420
    6   2HB   MET   1          HB3       MET   1  23.979  -5.137  -0.602
    7   1HG   MET   1          HG2       MET   1  21.226  -6.001  -1.433
    8   2HG   MET   1          HG3       MET   1  21.851  -4.382  -1.741
    9   1HE   MET   1          HE1       MET   1  20.858  -6.758  -3.960
   10   2HE   MET   1          HE2       MET   1  21.119  -5.038  -4.256
   11   3HE   MET   1          HE3       MET   1  21.958  -6.240  -5.236
   12    H    ALA   2           HN       ALA   2  21.906  -6.703   2.372
   13    HA   ALA   2           HA       ALA   2  19.657  -8.401   1.520
   14   1HB   ALA   2          HB1       ALA   2  20.524  -7.740   4.332
   15   2HB   ALA   2          HB2       ALA   2  19.251  -8.865   3.859
   16   3HB   ALA   2          HB3       ALA   2  20.934  -9.221   3.466
   17    H    ALA   3           HN       ALA   3  17.706  -7.516   1.294
   18    HA   ALA   3           HA       ALA   3  17.361  -4.702   1.951
   19   1HB   ALA   3          HB1       ALA   3  16.720  -5.449  -0.275
   20   2HB   ALA   3          HB2       ALA   3  15.570  -6.588   0.424
   21   3HB   ALA   3          HB3       ALA   3  15.317  -4.852   0.610
   22    H    GLY   4           HN       GLY   4  15.262  -7.576   2.275
   23   1HA   GLY   4          HA1       GLY   4  13.855  -8.229   3.968
   24   2HA   GLY   4          HA2       GLY   4  14.833  -7.250   5.051
   25    H    GLU   5           HN       GLU   5  13.579  -5.913   6.154
   26    HA   GLU   5           HA       GLU   5  11.154  -4.852   4.921
   27   1HB   GLU   5          HB2       GLU   5  10.608  -4.073   7.206
   28   2HB   GLU   5          HB3       GLU   5  10.894  -5.807   7.130
   29   1HG   GLU   5          HG2       GLU   5  13.127  -5.496   8.033
   30   2HG   GLU   5          HG3       GLU   5  12.881  -3.751   8.069
   31    H    LEU   6           HN       LEU   6  10.694  -2.661   4.761
   32    HA   LEU   6           HA       LEU   6  12.795  -0.970   4.034
   33   1HB   LEU   6          HB2       LEU   6   9.979  -0.263   4.859
   34   2HB   LEU   6          HB3       LEU   6  11.096   0.840   4.079
   35    HG   LEU   6           HG       LEU   6  10.078  -1.721   2.846
   36   1HD1  LEU   6          HD11      LEU   6   8.301  -0.049   3.155
   37   2HD1  LEU   6          HD12      LEU   6   9.276   1.128   2.277
   38   3HD1  LEU   6          HD13      LEU   6   8.685  -0.317   1.455
   39   1HD2  LEU   6          HD21      LEU   6  12.229  -1.139   1.962
   40   2HD2  LEU   6          HD22      LEU   6  11.003  -0.715   0.769
   41   3HD2  LEU   6          HD23      LEU   6  11.742   0.544   1.758
   42    H    GLU   7           HN       GLU   7  10.607  -0.419   6.798
   43    HA   GLU   7           HA       GLU   7  12.818   0.106   8.565
   44   1HB   GLU   7          HB2       GLU   7  12.236   2.424   9.061
   45   2HB   GLU   7          HB3       GLU   7  12.677   2.242   7.370
   46   1HG   GLU   7          HG2       GLU   7  10.287   2.212   6.775
   47   2HG   GLU   7          HG3       GLU   7   9.886   2.466   8.472
   48    H    GLY   8           HN       GLY   8  10.246  -1.480   8.233
   49   1HA   GLY   8          HA1       GLY   8   9.446  -2.340  10.487
   50   2HA   GLY   8          HA2       GLY   8   8.950  -0.677  10.760
   51    H    GLY   9           HN       GLY   9   6.957  -2.226  11.113
   52   1HA   GLY   9          HA1       GLY   9   5.562  -2.882   8.656
   53   2HA   GLY   9          HA2       GLY   9   4.973  -3.131  10.292
   54    H    LYS  10           HN       LYS  10   5.737  -0.224  10.831
   55    HA   LYS  10           HA       LYS  10   3.210   0.900  10.617
   56   1HB   LYS  10          HB2       LYS  10   4.865   1.749  12.172
   57   2HB   LYS  10          HB3       LYS  10   5.886   2.282  10.845
   58   1HG   LYS  10          HG2       LYS  10   4.165   3.886  10.170
   59   2HG   LYS  10          HG3       LYS  10   3.156   3.360  11.518
   60   1HD   LYS  10          HD2       LYS  10   4.935   4.056  13.081
   61   2HD   LYS  10          HD3       LYS  10   5.883   4.641  11.712
   62   1HE   LYS  10          HE2       LYS  10   4.065   6.203  11.150
   63   2HE   LYS  10          HE3       LYS  10   3.164   5.639  12.557
   64   1HZ   LYS  10          HZ1       LYS  10   4.336   7.689  13.037
   65   2HZ   LYS  10          HZ2       LYS  10   5.813   6.981  12.618
   66   3HZ   LYS  10          HZ3       LYS  10   4.964   6.427  13.972
   67    HA   PRO  11           HA       PRO  11   4.735   3.299   6.672
   68   1HB   PRO  11          HB2       PRO  11   6.745   1.539   5.487
   69   2HB   PRO  11          HB3       PRO  11   6.834   3.271   5.812
   70   1HG   PRO  11          HG2       PRO  11   8.258   1.429   7.207
   71   2HG   PRO  11          HG3       PRO  11   7.733   2.971   7.887
   72   1HD   PRO  11          HD2       PRO  11   6.632   0.260   8.298
   73   2HD   PRO  11          HD3       PRO  11   6.755   1.607   9.436
   74    H    LEU  12           HN       LEU  12   5.503  -0.142   6.135
   75    HA   LEU  12           HA       LEU  12   4.170  -0.487   3.747
   76   1HB   LEU  12          HB2       LEU  12   5.689  -2.100   5.062
   77   2HB   LEU  12          HB3       LEU  12   4.218  -2.619   5.861
   78    HG   LEU  12           HG       LEU  12   3.273  -3.271   3.674
   79   1HD1  LEU  12          HD11      LEU  12   6.003  -2.528   2.631
   80   2HD1  LEU  12          HD12      LEU  12   4.761  -3.393   1.724
   81   3HD1  LEU  12          HD13      LEU  12   4.479  -1.731   2.241
   82   1HD2  LEU  12          HD21      LEU  12   5.916  -4.450   4.491
   83   2HD2  LEU  12          HD22      LEU  12   4.298  -4.997   4.931
   84   3HD2  LEU  12          HD23      LEU  12   4.871  -5.177   3.271
   85    H    SER  13           HN       SER  13   2.883  -0.318   6.975
   86    HA   SER  13           HA       SER  13   0.333  -1.424   6.462
   87   1HB   SER  13          HB2       SER  13   1.196  -1.125   8.742
   88   2HB   SER  13          HB3       SER  13   1.168   0.627   8.532
   89    HG   SER  13           HG       SER  13  -1.184  -0.848   8.120
   90    H    GLY  14           HN       GLY  14   1.598   1.876   6.372
   91   1HA   GLY  14          HA1       GLY  14  -0.922   2.762   5.128
   92   2HA   GLY  14          HA2       GLY  14   0.219   3.814   5.954
   93    H    LEU  15           HN       LEU  15   1.375   1.350   3.813
   94    HA   LEU  15           HA       LEU  15   2.741   3.233   2.170
   95   1HB   LEU  15          HB2       LEU  15   2.828   0.465   2.646
   96   2HB   LEU  15          HB3       LEU  15   2.472   0.637   0.943
   97    HG   LEU  15           HG       LEU  15   4.861   0.414   1.273
   98   1HD1  LEU  15          HD11      LEU  15   5.621   2.467   0.145
   99   2HD1  LEU  15          HD12      LEU  15   4.160   1.791  -0.573
  100   3HD1  LEU  15          HD13      LEU  15   4.054   3.204   0.476
  101   1HD2  LEU  15          HD21      LEU  15   5.272   1.169   3.459
  102   2HD2  LEU  15          HD22      LEU  15   6.064   2.350   2.420
  103   3HD2  LEU  15          HD23      LEU  15   4.507   2.729   3.154
  104    H    LEU  16           HN       LEU  16   0.307   0.789   1.259
  105    HA   LEU  16           HA       LEU  16  -0.303   1.777  -1.254
  106   1HB   LEU  16          HB2       LEU  16  -2.432   0.602   0.514
  107   2HB   LEU  16          HB3       LEU  16  -2.259   0.457  -1.221
  108    HG   LEU  16           HG       LEU  16  -1.709  -1.658  -0.464
  109   1HD1  LEU  16          HD11      LEU  16   0.950  -0.243  -0.564
  110   2HD1  LEU  16          HD12      LEU  16   0.676  -1.971  -0.790
  111   3HD1  LEU  16          HD13      LEU  16   0.029  -0.815  -1.956
  112   1HD2  LEU  16          HD21      LEU  16  -1.288  -2.070   1.666
  113   2HD2  LEU  16          HD22      LEU  16   0.292  -1.299   1.524
  114   3HD2  LEU  16          HD23      LEU  16  -1.122  -0.339   1.963
  115    H    ASN  17           HN       ASN  17  -1.056   3.025   1.826
  116    HA   ASN  17           HA       ASN  17  -3.305   4.631   1.018
  117   1HB   ASN  17          HB2       ASN  17  -1.640   4.494   3.532
  118   2HB   ASN  17          HB3       ASN  17  -2.989   5.615   3.333
  119   1HD2  ASN  17          HD21      ASN  17  -4.519   3.685   1.736
  120   2HD2  ASN  17          HD22      ASN  17  -5.126   2.523   2.861
  121    H    ALA  18           HN       ALA  18   0.025   5.326   2.076
  122    HA   ALA  18           HA       ALA  18  -0.039   8.088   1.628
  123   1HB   ALA  18          HB1       ALA  18   2.395   6.331   1.449
  124   2HB   ALA  18          HB2       ALA  18   2.328   8.044   1.864
  125   3HB   ALA  18          HB3       ALA  18   1.654   6.843   2.963
  126    H    LEU  19           HN       LEU  19   0.612   5.409  -0.522
  127    HA   LEU  19           HA       LEU  19   1.795   6.876  -2.634
  128   1HB   LEU  19          HB2       LEU  19   0.281   4.272  -2.741
  129   2HB   LEU  19          HB3       LEU  19   1.357   4.888  -3.981
  130    HG   LEU  19           HG       LEU  19   2.355   4.375  -1.197
  131   1HD1  LEU  19          HD11      LEU  19   2.990   2.146  -1.830
  132   2HD1  LEU  19          HD12      LEU  19   1.249   2.326  -2.034
  133   3HD1  LEU  19          HD13      LEU  19   2.309   2.367  -3.443
  134   1HD2  LEU  19          HD21      LEU  19   3.665   4.449  -3.910
  135   2HD2  LEU  19          HD22      LEU  19   3.781   5.680  -2.654
  136   3HD2  LEU  19          HD23      LEU  19   4.485   4.084  -2.392
  137    H    ALA  20           HN       ALA  20  -1.155   7.368  -1.444
  138    HA   ALA  20           HA       ALA  20  -2.853   7.267  -3.695
  139   1HB   ALA  20          HB1       ALA  20  -4.353   8.689  -2.398
  140   2HB   ALA  20          HB2       ALA  20  -3.707   7.376  -1.414
  141   3HB   ALA  20          HB3       ALA  20  -3.058   9.007  -1.243
  142    H    GLN  21           HN       GLN  21  -1.760   8.183  -5.452
  143    HA   GLN  21           HA       GLN  21  -1.211  11.062  -5.301
  144   1HB   GLN  21          HB2       GLN  21  -0.355   8.934  -7.263
  145   2HB   GLN  21          HB3       GLN  21  -0.117  10.650  -7.564
  146   1HG   GLN  21          HG2       GLN  21   1.220  10.806  -5.512
  147   2HG   GLN  21          HG3       GLN  21   1.015   9.073  -5.264
  148   1HE2  GLN  21          HE21      GLN  21   3.232   8.732  -5.348
  149   2HE2  GLN  21          HE22      GLN  21   4.121   8.796  -6.828
  150    H    ASP  22           HN       ASP  22  -3.255   8.681  -6.790
  151    HA   ASP  22           HA       ASP  22  -4.482  10.698  -8.524
  152   1HB   ASP  22          HB2       ASP  22  -4.926   7.708  -8.394
  153   2HB   ASP  22          HB3       ASP  22  -5.659   8.801  -9.564
  154    H    THR  23           HN       THR  23  -5.563  11.888  -6.927
  155    HA   THR  23           HA       THR  23  -7.492  10.558  -5.218
  156    HB   THR  23           HB       THR  23  -7.965  12.805  -4.336
  157    HG1  THR  23           HG1      THR  23  -6.852  14.583  -5.166
  158   1HG2  THR  23          HG21      THR  23  -5.743  13.261  -3.380
  159   2HG2  THR  23          HG22      THR  23  -5.016  12.187  -4.577
  160   3HG2  THR  23          HG23      THR  23  -6.122  11.539  -3.365
  161    H    PHE  24           HN       PHE  24  -7.435  11.881  -8.331
  162    HA   PHE  24           HA       PHE  24  -9.937  13.068  -8.598
  163   1HB   PHE  24          HB2       PHE  24  -8.491  11.400 -10.667
  164   2HB   PHE  24          HB3       PHE  24  -9.748  12.591 -10.984
  165    HD1  PHE  24           HD1      PHE  24  -6.235  12.044 -10.336
  166    HD2  PHE  24           HD2      PHE  24  -9.291  14.994 -10.610
  167    HE1  PHE  24           HE1      PHE  24  -4.520  13.796 -10.537
  168    HE2  PHE  24           HE2      PHE  24  -7.580  16.752 -10.813
  169    HZ   PHE  24           HZ       PHE  24  -5.187  16.149 -10.786
  170    H    HIS  25           HN       HIS  25  -9.070   9.736  -8.258
  171    HA   HIS  25           HA       HIS  25 -11.908   9.004  -8.528
  172   1HB   HIS  25          HB2       HIS  25  -9.526   7.371  -9.432
  173   2HB   HIS  25          HB3       HIS  25 -11.193   6.804  -9.421
  174    HD1  HIS  25           HD1      HIS  25 -12.600   7.353 -11.423
  175    HD2  HIS  25           HD2      HIS  25  -9.049   9.508 -11.328
  176    HE1  HIS  25           HE1      HIS  25 -12.475   8.541 -13.636
  177    HE2  HIS  25           HE2      HIS  25 -10.367   9.916 -13.515
  178    H    GLY  26           HN       GLY  26  -9.671   9.517  -6.354
  179   1HA   GLY  26          HA1       GLY  26 -10.529   7.245  -4.680
  180   2HA   GLY  26          HA2       GLY  26  -8.849   7.760  -4.703
  181    H    TYR  27           HN       TYR  27  -8.942   8.140  -2.448
  182    HA   TYR  27           HA       TYR  27 -10.772  10.129  -1.427
  183   1HB   TYR  27          HB2       TYR  27 -10.171   8.232  -0.017
  184   2HB   TYR  27          HB3       TYR  27  -8.471   8.675  -0.109
  185    HD1  TYR  27           HD1      TYR  27 -11.773   9.806   1.146
  186    HD2  TYR  27           HD2      TYR  27  -7.547  10.229   1.404
  187    HE1  TYR  27           HE1      TYR  27 -12.041  11.206   3.150
  188    HE2  TYR  27           HE2      TYR  27  -7.804  11.629   3.410
  189    HH   TYR  27           HH       TYR  27  -9.537  13.069   4.441
  190    HA   PRO  28           HA       PRO  28  -7.828  13.377  -2.488
  191   1HB   PRO  28          HB2       PRO  28  -9.381  15.473  -1.817
  192   2HB   PRO  28          HB3       PRO  28  -9.649  14.541  -3.294
  193   1HG   PRO  28          HG2       PRO  28 -11.067  14.363  -0.663
  194   2HG   PRO  28          HG3       PRO  28 -11.744  14.349  -2.303
  195   1HD   PRO  28          HD2       PRO  28 -11.351  12.089  -0.839
  196   2HD   PRO  28          HD3       PRO  28 -11.279  12.121  -2.611
  197    H    GLY  29           HN       GLY  29  -6.556  14.900  -1.351
  198   1HA   GLY  29          HA1       GLY  29  -6.152  16.171   0.696
  199   2HA   GLY  29          HA2       GLY  29  -6.868  14.837   1.585
  200    H    ILE  30           HN       ILE  30  -4.399  14.910  -0.975
  201    HA   ILE  30           HA       ILE  30  -2.247  14.320   0.792
  202    HB   ILE  30           HB       ILE  30  -3.188  12.133   0.950
  203   1HG1  ILE  30          HG12      ILE  30  -1.095  11.729  -1.163
  204   2HG1  ILE  30          HG13      ILE  30  -0.661  12.472   0.374
  205   1HG2  ILE  30          HG21      ILE  30  -4.669  12.246  -0.981
  206   2HG2  ILE  30          HG22      ILE  30  -3.284  12.085  -2.060
  207   3HG2  ILE  30          HG23      ILE  30  -3.725  10.757  -0.988
  208   1HD1  ILE  30          HD11      ILE  30  -0.205  10.112   0.434
  209   2HD1  ILE  30          HD12      ILE  30  -1.526  10.487   1.540
  210   3HD1  ILE  30          HD13      ILE  30  -1.868   9.746  -0.022
  211    H    THR  31           HN       THR  31  -0.447  15.027  -0.139
  212    HA   THR  31           HA       THR  31  -0.472  15.598  -3.006
  213    HB   THR  31           HB       THR  31   1.589  16.446  -0.961
  214    HG1  THR  31           HG1      THR  31  -0.195  17.494  -0.290
  215   1HG2  THR  31          HG21      THR  31   0.932  17.431  -3.740
  216   2HG2  THR  31          HG22      THR  31   2.407  16.611  -3.226
  217   3HG2  THR  31          HG23      THR  31   2.045  18.231  -2.632
  218    H    GLU  32           HN       GLU  32   1.400  15.108  -4.328
  219    HA   GLU  32           HA       GLU  32   2.255  12.448  -4.095
  220   1HB   GLU  32          HB2       GLU  32   2.144  13.651  -6.241
  221   2HB   GLU  32          HB3       GLU  32   3.471  14.686  -5.730
  222   1HG   GLU  32          HG2       GLU  32   4.964  12.776  -5.661
  223   2HG   GLU  32          HG3       GLU  32   3.638  11.706  -6.113
  224    H    GLU  33           HN       GLU  33   4.005  15.492  -3.484
  225    HA   GLU  33           HA       GLU  33   6.409  14.256  -2.655
  226   1HB   GLU  33          HB2       GLU  33   5.286  16.987  -2.000
  227   2HB   GLU  33          HB3       GLU  33   6.925  16.470  -1.627
  228   1HG   GLU  33          HG2       GLU  33   7.400  16.196  -3.990
  229   2HG   GLU  33          HG3       GLU  33   5.744  16.652  -4.390
  230    H    LEU  34           HN       LEU  34   3.377  14.529  -1.204
  231    HA   LEU  34           HA       LEU  34   4.288  14.426   1.538
  232   1HB   LEU  34          HB2       LEU  34   2.186  15.564   0.820
  233   2HB   LEU  34          HB3       LEU  34   1.521  13.989   0.431
  234    HG   LEU  34           HG       LEU  34   1.911  13.362   2.857
  235   1HD1  LEU  34          HD11      LEU  34   3.495  15.140   3.399
  236   2HD1  LEU  34          HD12      LEU  34   2.240  16.348   3.119
  237   3HD1  LEU  34          HD13      LEU  34   2.080  15.200   4.448
  238   1HD2  LEU  34          HD21      LEU  34  -0.282  13.894   1.905
  239   2HD2  LEU  34          HD22      LEU  34  -0.142  14.431   3.580
  240   3HD2  LEU  34          HD23      LEU  34  -0.015  15.600   2.265
  241    H    LEU  35           HN       LEU  35   3.257  12.210  -0.951
  242    HA   LEU  35           HA       LEU  35   2.458   9.987   0.377
  243   1HB   LEU  35          HB2       LEU  35   2.774   8.899  -1.579
  244   2HB   LEU  35          HB3       LEU  35   2.993  10.528  -2.169
  245    HG   LEU  35           HG       LEU  35   5.540  10.021  -1.647
  246   1HD1  LEU  35          HD11      LEU  35   4.984   7.786  -0.674
  247   2HD1  LEU  35          HD12      LEU  35   4.489   7.274  -2.286
  248   3HD1  LEU  35          HD13      LEU  35   6.162   7.743  -1.985
  249   1HD2  LEU  35          HD21      LEU  35   4.483  10.565  -3.843
  250   2HD2  LEU  35          HD22      LEU  35   5.839   9.443  -3.949
  251   3HD2  LEU  35          HD23      LEU  35   4.186   8.842  -4.066
  252    H    ARG  36           HN       ARG  36   5.772  11.151   0.070
  253    HA   ARG  36           HA       ARG  36   6.866   8.838   1.409
  254   1HB   ARG  36          HB2       ARG  36   8.544   9.550   0.094
  255   2HB   ARG  36          HB3       ARG  36   7.908  11.177  -0.014
  256   1HG   ARG  36          HG2       ARG  36   8.845  11.509   2.341
  257   2HG   ARG  36          HG3       ARG  36   9.728  10.007   2.061
  258   1HD   ARG  36          HD2       ARG  36  10.916  10.944   0.239
  259   2HD   ARG  36          HD3       ARG  36   9.851  12.348   0.175
  260    HE   ARG  36           HE       ARG  36  10.925  12.480   2.663
  261   1HH1  ARG  36          HH12      ARG  36  12.310  12.210  -0.524
  262   2HH1  ARG  36          HH11      ARG  36  13.753  13.068  -0.107
  263   1HH2  ARG  36          HH22      ARG  36  12.822  13.611   3.214
  264   2HH2  ARG  36          HH21      ARG  36  14.044  13.866   2.013
  265    H    SER  37           HN       SER  37   6.751  12.308   2.139
  266    HA   SER  37           HA       SER  37   7.721  12.257   4.714
  267   1HB   SER  37          HB2       SER  37   7.336  14.330   3.484
  268   2HB   SER  37          HB3       SER  37   5.592  14.084   3.583
  269    HG   SER  37           HG       SER  37   5.776  15.190   5.360
  270    H    GLN  38           HN       GLN  38   4.695  11.081   3.603
  271    HA   GLN  38           HA       GLN  38   3.102  11.396   5.872
  272   1HB   GLN  38          HB2       GLN  38   3.098   9.490   3.575
  273   2HB   GLN  38          HB3       GLN  38   2.040   9.176   4.942
  274   1HG   GLN  38          HG2       GLN  38   2.072  11.682   3.278
  275   2HG   GLN  38          HG3       GLN  38   0.886  10.382   3.175
  276   1HE2  GLN  38          HE21      GLN  38   2.041  13.074   5.040
  277   2HE2  GLN  38          HE22      GLN  38   0.682  13.185   6.102
  278    H    LEU  39           HN       LEU  39   4.900   8.434   4.924
  279    HA   LEU  39           HA       LEU  39   5.083   7.815   7.798
  280   1HB   LEU  39          HB2       LEU  39   4.706   5.768   5.619
  281   2HB   LEU  39          HB3       LEU  39   4.750   5.474   7.348
  282    HG   LEU  39           HG       LEU  39   2.685   7.172   7.289
  283   1HD1  LEU  39          HD11      LEU  39   1.297   6.825   5.355
  284   2HD1  LEU  39          HD12      LEU  39   2.858   7.455   4.836
  285   3HD1  LEU  39          HD13      LEU  39   2.493   5.742   4.643
  286   1HD2  LEU  39          HD21      LEU  39   1.221   5.218   7.305
  287   2HD2  LEU  39          HD22      LEU  39   2.526   4.230   6.644
  288   3HD2  LEU  39          HD23      LEU  39   2.681   4.934   8.254
  289    H    TYR  40           HN       TYR  40   6.554   7.353   4.602
  290    HA   TYR  40           HA       TYR  40   9.052   6.580   5.947
  291   1HB   TYR  40          HB2       TYR  40   9.660   6.053   3.414
  292   2HB   TYR  40          HB3       TYR  40   8.799   4.905   4.422
  293    HD1  TYR  40           HD1      TYR  40   6.227   4.906   4.264
  294    HD2  TYR  40           HD2      TYR  40   8.752   6.750   1.379
  295    HE1  TYR  40           HE1      TYR  40   4.389   4.858   2.633
  296    HE2  TYR  40           HE2      TYR  40   6.922   6.703  -0.261
  297    HH   TYR  40           HH       TYR  40   4.844   5.415  -0.666
  298    HA   PRO  41           HA       PRO  41  10.055  10.842   4.642
  299   1HB   PRO  41          HB2       PRO  41  11.738  11.395   6.663
  300   2HB   PRO  41          HB3       PRO  41   9.984  11.454   6.871
  301   1HG   PRO  41          HG2       PRO  41  11.909   9.289   7.630
  302   2HG   PRO  41          HG3       PRO  41  10.552   9.953   8.558
  303   1HD   PRO  41          HD2       PRO  41  10.403   7.622   7.151
  304   2HD   PRO  41          HD3       PRO  41   9.004   8.670   7.452
  305    H    GLU  42           HN       GLU  42  11.950   8.009   5.147
  306    HA   GLU  42           HA       GLU  42  14.432   9.171   4.249
  307   1HB   GLU  42          HB2       GLU  42  15.275   6.843   4.310
  308   2HB   GLU  42          HB3       GLU  42  14.539   7.344   5.826
  309   1HG   GLU  42          HG2       GLU  42  12.489   6.142   5.209
  310   2HG   GLU  42          HG3       GLU  42  13.267   5.612   3.719
  311    H    VAL  43           HN       VAL  43  12.056   6.886   2.901
  312    HA   VAL  43           HA       VAL  43  13.341   6.602   0.403
  313    HB   VAL  43           HB       VAL  43  10.721   5.844   1.540
  314   1HG1  VAL  43          HG11      VAL  43   9.834   6.929  -0.391
  315   2HG1  VAL  43          HG12      VAL  43  11.083   6.232  -1.427
  316   3HG1  VAL  43          HG13      VAL  43   9.845   5.194  -0.718
  317   1HG2  VAL  43          HG21      VAL  43  12.746   4.492  -0.236
  318   2HG2  VAL  43          HG22      VAL  43  12.526   4.264   1.501
  319   3HG2  VAL  43          HG23      VAL  43  11.280   3.723   0.374
  320    HA   PRO  44           HA       PRO  44  12.403  10.769  -1.085
  321   1HB   PRO  44          HB2       PRO  44  13.363   9.520  -3.610
  322   2HB   PRO  44          HB3       PRO  44  13.857  11.036  -2.849
  323   1HG   PRO  44          HG2       PRO  44  15.436   8.898  -2.755
  324   2HG   PRO  44          HG3       PRO  44  15.280   9.974  -1.353
  325   1HD   PRO  44          HD2       PRO  44  14.065   7.283  -1.824
  326   2HD   PRO  44          HD3       PRO  44  14.713   7.983  -0.327
  327    HA   PRO  45           HA       PRO  45   8.479  10.061  -2.995
  328   1HB   PRO  45          HB2       PRO  45   8.792  12.563  -4.512
  329   2HB   PRO  45          HB3       PRO  45   7.624  12.151  -3.255
  330   1HG   PRO  45          HG2       PRO  45   9.605  13.891  -2.792
  331   2HG   PRO  45          HG3       PRO  45   9.055  12.761  -1.535
  332   1HD   PRO  45          HD2       PRO  45  11.442  12.560  -3.347
  333   2HD   PRO  45          HD3       PRO  45  11.335  12.265  -1.597
  334    H    GLU  46           HN       GLU  46  11.199   9.541  -4.554
  335    HA   GLU  46           HA       GLU  46   9.855   8.963  -7.095
  336   1HB   GLU  46          HB2       GLU  46  12.587  10.223  -6.809
  337   2HB   GLU  46          HB3       GLU  46  11.916   9.618  -8.318
  338   1HG   GLU  46          HG2       GLU  46  10.084  11.244  -8.134
  339   2HG   GLU  46          HG3       GLU  46  10.812  11.871  -6.656
  340    H    GLU  47           HN       GLU  47  12.561   8.326  -4.918
  341    HA   GLU  47           HA       GLU  47  13.426   5.978  -6.307
  342   1HB   GLU  47          HB2       GLU  47  14.102   7.249  -3.683
  343   2HB   GLU  47          HB3       GLU  47  14.653   5.616  -4.030
  344   1HG   GLU  47          HG2       GLU  47  15.742   6.469  -6.081
  345   2HG   GLU  47          HG3       GLU  47  15.265   8.102  -5.615
  346    H    PHE  48           HN       PHE  48  10.635   6.451  -4.808
  347    HA   PHE  48           HA       PHE  48  10.498   4.115  -3.135
  348   1HB   PHE  48          HB2       PHE  48   8.218   4.705  -2.767
  349   2HB   PHE  48          HB3       PHE  48   9.128   6.211  -2.804
  350    HD1  PHE  48           HD1      PHE  48   9.213   7.430  -5.096
  351    HD2  PHE  48           HD2      PHE  48   6.312   4.492  -4.061
  352    HE1  PHE  48           HE1      PHE  48   7.710   8.304  -6.837
  353    HE2  PHE  48           HE2      PHE  48   4.805   5.362  -5.801
  354    HZ   PHE  48           HZ       PHE  48   5.496   7.254  -7.193
  355    H    ARG  49           HN       ARG  49  10.047   4.833  -6.458
  356    HA   ARG  49           HA       ARG  49   8.207   2.883  -7.223
  357   1HB   ARG  49          HB2       ARG  49   9.489   4.862  -8.519
  358   2HB   ARG  49          HB3       ARG  49  10.401   3.482  -9.114
  359   1HG   ARG  49          HG2       ARG  49   8.670   3.869 -10.669
  360   2HG   ARG  49          HG3       ARG  49   8.202   2.438  -9.748
  361   1HD   ARG  49          HD2       ARG  49   6.761   3.834  -8.333
  362   2HD   ARG  49          HD3       ARG  49   7.218   5.251  -9.277
  363    HE   ARG  49           HE       ARG  49   6.197   3.311 -11.019
  364   1HH1  ARG  49          HH12      ARG  49   5.123   5.412  -8.455
  365   2HH1  ARG  49          HH11      ARG  49   3.508   5.545  -9.066
  366   1HH2  ARG  49          HH22      ARG  49   4.074   3.481 -11.832
  367   2HH2  ARG  49          HH21      ARG  49   2.911   4.448 -10.987
  368    HA   PRO  50           HA       PRO  50  12.105   0.041  -8.291
  369   1HB   PRO  50          HB2       PRO  50  14.026   0.349  -6.282
  370   2HB   PRO  50          HB3       PRO  50  14.168   0.903  -7.953
  371   1HG   PRO  50          HG2       PRO  50  13.398   2.419  -5.509
  372   2HG   PRO  50          HG3       PRO  50  14.336   2.952  -6.916
  373   1HD   PRO  50          HD2       PRO  50  11.785   3.693  -6.577
  374   2HD   PRO  50          HD3       PRO  50  12.435   3.336  -8.191
  375    H    PHE  51           HN       PHE  51  11.347   0.976  -4.948
  376    HA   PHE  51           HA       PHE  51  11.407  -1.807  -4.106
  377   1HB   PHE  51          HB2       PHE  51  11.670   0.707  -2.803
  378   2HB   PHE  51          HB3       PHE  51  10.279  -0.113  -2.101
  379    HD1  PHE  51           HD1      PHE  51  10.644  -2.588  -1.413
  380    HD2  PHE  51           HD2      PHE  51  13.792   0.207  -2.046
  381    HE1  PHE  51           HE1      PHE  51  12.144  -3.974  -0.040
  382    HE2  PHE  51           HE2      PHE  51  15.298  -1.176  -0.676
  383    HZ   PHE  51           HZ       PHE  51  14.486  -3.277   0.307
  384    H    LEU  52           HN       LEU  52   9.145   0.531  -5.177
  385    HA   LEU  52           HA       LEU  52   6.830  -0.809  -4.112
  386   1HB   LEU  52          HB2       LEU  52   7.144   1.715  -4.569
  387   2HB   LEU  52          HB3       LEU  52   6.789   1.306  -6.237
  388    HG   LEU  52           HG       LEU  52   4.623   0.320  -5.456
  389   1HD1  LEU  52          HD11      LEU  52   5.390   0.011  -3.095
  390   2HD1  LEU  52          HD12      LEU  52   5.238   1.753  -2.881
  391   3HD1  LEU  52          HD13      LEU  52   3.815   0.784  -3.264
  392   1HD2  LEU  52          HD21      LEU  52   4.723   2.533  -6.444
  393   2HD2  LEU  52          HD22      LEU  52   3.536   2.496  -5.140
  394   3HD2  LEU  52          HD23      LEU  52   5.115   3.234  -4.874
  395    H    ALA  53           HN       ALA  53   8.850  -1.177  -6.802
  396    HA   ALA  53           HA       ALA  53   7.113  -1.920  -8.844
  397   1HB   ALA  53          HB1       ALA  53   8.964  -3.262  -9.731
  398   2HB   ALA  53          HB2       ALA  53   9.523  -1.684  -9.177
  399   3HB   ALA  53          HB3       ALA  53   9.808  -3.118  -8.189
  400    H    LYS  54           HN       LYS  54   7.770  -3.382  -5.860
  401    HA   LYS  54           HA       LYS  54   6.398  -5.866  -6.628
  402   1HB   LYS  54          HB2       LYS  54   8.638  -6.263  -5.790
  403   2HB   LYS  54          HB3       LYS  54   8.323  -5.271  -4.375
  404   1HG   LYS  54          HG2       LYS  54   6.596  -6.915  -3.683
  405   2HG   LYS  54          HG3       LYS  54   7.091  -7.934  -5.035
  406   1HD   LYS  54          HD2       LYS  54   8.162  -8.647  -2.957
  407   2HD   LYS  54          HD3       LYS  54   9.355  -8.061  -4.117
  408   1HE   LYS  54          HE2       LYS  54   9.545  -5.971  -2.957
  409   2HE   LYS  54          HE3       LYS  54   8.200  -6.382  -1.894
  410   1HZ   LYS  54          HZ1       LYS  54   9.527  -8.173  -0.968
  411   2HZ   LYS  54          HZ2       LYS  54  10.326  -6.693  -0.795
  412   3HZ   LYS  54          HZ3       LYS  54  10.817  -7.783  -1.990
  413    H    MET  55           HN       MET  55   6.153  -2.964  -4.941
  414    HA   MET  55           HA       MET  55   3.904  -3.949  -3.311
  415   1HB   MET  55          HB2       MET  55   6.096  -2.019  -2.771
  416   2HB   MET  55          HB3       MET  55   4.504  -1.613  -2.132
  417   1HG   MET  55          HG2       MET  55   6.010  -4.173  -1.583
  418   2HG   MET  55          HG3       MET  55   5.855  -2.800  -0.486
  419   1HE   MET  55          HE1       MET  55   4.752  -6.167  -1.219
  420   2HE   MET  55          HE2       MET  55   2.996  -6.234  -1.059
  421   3HE   MET  55          HE3       MET  55   3.724  -5.522  -2.499
  422    H    ARG  56           HN       ARG  56   4.034  -2.842  -6.162
  423    HA   ARG  56           HA       ARG  56   2.271  -0.520  -5.792
  424   1HB   ARG  56          HB2       ARG  56   2.712   0.056  -8.097
  425   2HB   ARG  56          HB3       ARG  56   4.235  -0.184  -7.254
  426   1HG   ARG  56          HG2       ARG  56   4.469  -2.383  -8.255
  427   2HG   ARG  56          HG3       ARG  56   2.908  -2.197  -9.059
  428   1HD   ARG  56          HD2       ARG  56   5.287  -0.393  -9.473
  429   2HD   ARG  56          HD3       ARG  56   4.837  -1.722 -10.542
  430    HE   ARG  56           HE       ARG  56   2.629  -0.021 -10.234
  431   1HH1  ARG  56          HH12      ARG  56   5.798  -0.034 -11.685
  432   2HH1  ARG  56          HH11      ARG  56   5.374   1.096 -12.928
  433   1HH2  ARG  56          HH22      ARG  56   2.062   1.466 -11.863
  434   2HH2  ARG  56          HH21      ARG  56   3.249   1.949 -13.030
  435    H    GLY  57           HN       GLY  57   2.352  -3.804  -6.830
  436   1HA   GLY  57          HA1       GLY  57   0.154  -3.909  -8.549
  437   2HA   GLY  57          HA2       GLY  57   0.682  -5.228  -7.510
  438    H    ILE  58           HN       ILE  58   0.256  -3.111  -5.263
  439    HA   ILE  58           HA       ILE  58  -2.530  -3.857  -4.787
  440    HB   ILE  58           HB       ILE  58  -0.619  -2.555  -2.843
  441   1HG1  ILE  58          HG12      ILE  58  -0.596  -4.983  -1.889
  442   2HG1  ILE  58          HG13      ILE  58  -1.045  -5.451  -3.524
  443   1HG2  ILE  58          HG21      ILE  58  -2.987  -2.342  -2.295
  444   2HG2  ILE  58          HG22      ILE  58  -3.182  -4.091  -2.423
  445   3HG2  ILE  58          HG23      ILE  58  -2.166  -3.407  -1.153
  446   1HD1  ILE  58          HD11      ILE  58   1.382  -3.802  -2.864
  447   2HD1  ILE  58          HD12      ILE  58   1.392  -5.557  -3.030
  448   3HD1  ILE  58          HD13      ILE  58   0.973  -4.546  -4.410
  449    H    LEU  59           HN       LEU  59  -0.398  -1.064  -5.016
  450    HA   LEU  59           HA       LEU  59  -2.350   0.885  -4.340
  451   1HB   LEU  59          HB2       LEU  59   0.077   1.277  -4.181
  452   2HB   LEU  59          HB3       LEU  59   0.209   1.167  -5.922
  453    HG   LEU  59           HG       LEU  59   0.230   3.493  -4.851
  454   1HD1  LEU  59          HD11      LEU  59  -1.779   3.022  -7.040
  455   2HD1  LEU  59          HD12      LEU  59  -0.852   4.490  -6.735
  456   3HD1  LEU  59          HD13      LEU  59  -0.031   3.024  -7.270
  457   1HD2  LEU  59          HD21      LEU  59  -2.740   2.993  -4.759
  458   2HD2  LEU  59          HD22      LEU  59  -1.684   3.125  -3.353
  459   3HD2  LEU  59          HD23      LEU  59  -1.918   4.514  -4.413
  460    H    LYS  60           HN       LYS  60  -0.881   0.050  -7.476
  461    HA   LYS  60           HA       LYS  60  -2.510   1.586  -9.098
  462   1HB   LYS  60          HB2       LYS  60  -0.837   0.749 -10.371
  463   2HB   LYS  60          HB3       LYS  60  -0.736  -0.735  -9.439
  464   1HG   LYS  60          HG2       LYS  60  -3.059  -0.378 -11.261
  465   2HG   LYS  60          HG3       LYS  60  -1.479  -0.727 -11.963
  466   1HD   LYS  60          HD2       LYS  60  -1.292  -2.722 -10.560
  467   2HD   LYS  60          HD3       LYS  60  -2.864  -2.369  -9.843
  468   1HE   LYS  60          HE2       LYS  60  -2.982  -4.090 -11.607
  469   2HE   LYS  60          HE3       LYS  60  -3.951  -2.663 -11.978
  470   1HZ   LYS  60          HZ1       LYS  60  -2.700  -3.426 -13.903
  471   2HZ   LYS  60          HZ2       LYS  60  -1.245  -3.236 -13.061
  472   3HZ   LYS  60          HZ3       LYS  60  -2.189  -1.882 -13.429
  473    H    SER  61           HN       SER  61  -3.196  -1.393  -7.473
  474    HA   SER  61           HA       SER  61  -5.433  -2.192  -9.033
  475   1HB   SER  61          HB2       SER  61  -4.268  -3.790  -7.610
  476   2HB   SER  61          HB3       SER  61  -4.673  -2.846  -6.175
  477    HG   SER  61           HG       SER  61  -6.043  -4.757  -6.787
  478    H    ILE  62           HN       ILE  62  -5.331  -0.884  -5.731
  479    HA   ILE  62           HA       ILE  62  -8.072  -0.286  -5.582
  480    HB   ILE  62           HB       ILE  62  -5.835   0.997  -4.009
  481   1HG1  ILE  62          HG12      ILE  62  -7.450  -1.460  -3.305
  482   2HG1  ILE  62          HG13      ILE  62  -5.828  -1.517  -3.988
  483   1HG2  ILE  62          HG21      ILE  62  -7.947   2.168  -3.778
  484   2HG2  ILE  62          HG22      ILE  62  -8.768   0.654  -3.398
  485   3HG2  ILE  62          HG23      ILE  62  -7.563   1.307  -2.288
  486   1HD1  ILE  62          HD11      ILE  62  -4.939  -0.385  -2.049
  487   2HD1  ILE  62          HD12      ILE  62  -6.560  -0.217  -1.375
  488   3HD1  ILE  62          HD13      ILE  62  -5.844  -1.818  -1.558
  489    H    ALA  63           HN       ALA  63  -5.403   1.457  -6.939
  490    HA   ALA  63           HA       ALA  63  -6.528   4.056  -6.803
  491   1HB   ALA  63          HB1       ALA  63  -4.147   3.757  -7.048
  492   2HB   ALA  63          HB2       ALA  63  -4.380   2.966  -8.608
  493   3HB   ALA  63          HB3       ALA  63  -4.779   4.672  -8.417
  494    H    SER  64           HN       SER  64  -6.083   1.950  -9.666
  495    HA   SER  64           HA       SER  64  -7.963   3.583 -11.146
  496   1HB   SER  64          HB2       SER  64  -5.959   2.819 -12.287
  497   2HB   SER  64          HB3       SER  64  -6.386   1.138 -11.969
  498    HG   SER  64           HG       SER  64  -6.967   2.281 -14.104
  499    H    ALA  65           HN       ALA  65  -8.174   0.766  -9.228
  500    HA   ALA  65           HA       ALA  65 -10.757   0.124 -10.500
  501   1HB   ALA  65          HB1       ALA  65  -8.954  -1.831  -9.093
  502   2HB   ALA  65          HB2       ALA  65 -10.455  -2.191  -9.947
  503   3HB   ALA  65          HB3       ALA  65  -9.044  -1.623 -10.841
  504    H    ASP  66           HN       ASP  66  -8.985   0.313  -7.446
  505    HA   ASP  66           HA       ASP  66  -9.681   0.738  -5.321
  506   1HB   ASP  66          HB2       ASP  66 -11.233   2.381  -6.387
  507   2HB   ASP  66          HB3       ASP  66 -12.454   1.115  -6.465
  508    H    MET  67           HN       MET  67 -11.168  -1.639  -7.270
  509    HA   MET  67           HA       MET  67 -12.342  -3.559  -6.843
  510   1HB   MET  67          HB2       MET  67 -10.197  -3.659  -4.719
  511   2HB   MET  67          HB3       MET  67 -11.133  -5.041  -5.273
  512   1HG   MET  67          HG2       MET  67 -10.233  -4.357  -7.618
  513   2HG   MET  67          HG3       MET  67  -9.006  -3.505  -6.685
  514   1HE   MET  67          HE1       MET  67  -8.839  -6.137  -8.830
  515   2HE   MET  67          HE2       MET  67  -7.448  -5.188  -8.308
  516   3HE   MET  67          HE3       MET  67  -7.446  -6.940  -8.106
  517    H    ASP  68           HN       ASP  68 -12.589  -4.982  -4.376
  518    HA   ASP  68           HA       ASP  68 -14.130  -3.238  -2.625
  519   1HB   ASP  68          HB2       ASP  68 -15.317  -5.632  -4.046
  520   2HB   ASP  68          HB3       ASP  68 -16.084  -4.791  -2.702
  521    H    PHE  69           HN       PHE  69 -13.876  -6.748  -3.154
  522    HA   PHE  69           HA       PHE  69 -12.129  -7.223  -0.985
  523   1HB   PHE  69          HB2       PHE  69 -13.740  -8.376   0.521
  524   2HB   PHE  69          HB3       PHE  69 -14.020  -6.642   0.415
  525    HD1  PHE  69           HD1      PHE  69 -15.374  -9.940  -0.192
  526    HD2  PHE  69           HD2      PHE  69 -15.933  -5.779  -0.889
  527    HE1  PHE  69           HE1      PHE  69 -17.721 -10.361  -0.801
  528    HE2  PHE  69           HE2      PHE  69 -18.279  -6.192  -1.499
  529    HZ   PHE  69           HZ       PHE  69 -19.178  -8.485  -1.454
  530    H    ASN  70           HN       ASN  70 -11.805  -9.530  -0.590
  531    HA   ASN  70           HA       ASN  70 -11.533 -11.689  -1.239
  532   1HB   ASN  70          HB2       ASN  70 -14.019 -11.750  -1.279
  533   2HB   ASN  70          HB3       ASN  70 -13.977 -11.268  -2.972
  534   1HD2  ASN  70          HD21      ASN  70 -13.278 -13.805  -0.694
  535   2HD2  ASN  70          HD22      ASN  70 -13.141 -15.079  -1.852
  536    H    GLN  71           HN       GLN  71 -11.407  -9.088  -3.340
  537    HA   GLN  71           HA       GLN  71 -10.437 -10.614  -5.624
  538   1HB   GLN  71          HB2       GLN  71 -10.627  -7.617  -5.251
  539   2HB   GLN  71          HB3       GLN  71 -10.297  -8.459  -6.758
  540   1HG   GLN  71          HG2       GLN  71 -12.526  -9.464  -6.682
  541   2HG   GLN  71          HG3       GLN  71 -12.853  -8.609  -5.175
  542   1HE2  GLN  71          HE21      GLN  71 -14.591  -7.505  -6.043
  543   2HE2  GLN  71          HE22      GLN  71 -14.398  -6.221  -7.182
  544    H    LEU  72           HN       LEU  72  -9.252  -8.050  -3.460
  545    HA   LEU  72           HA       LEU  72  -6.555  -8.220  -4.339
  546   1HB   LEU  72          HB2       LEU  72  -7.935  -6.962  -1.993
  547   2HB   LEU  72          HB3       LEU  72  -6.189  -7.021  -2.056
  548    HG   LEU  72           HG       LEU  72  -7.963  -5.683  -4.094
  549   1HD1  LEU  72          HD11      LEU  72  -7.807  -4.652  -1.796
  550   2HD1  LEU  72          HD12      LEU  72  -6.093  -4.398  -2.123
  551   3HD1  LEU  72          HD13      LEU  72  -7.308  -3.627  -3.143
  552   1HD2  LEU  72          HD21      LEU  72  -5.906  -6.532  -5.090
  553   2HD2  LEU  72          HD22      LEU  72  -5.863  -4.773  -4.976
  554   3HD2  LEU  72          HD23      LEU  72  -4.958  -5.753  -3.824
  555    H    GLU  73           HN       GLU  73  -8.443  -9.832  -1.915
  556    HA   GLU  73           HA       GLU  73  -6.631 -10.816  -0.134
  557   1HB   GLU  73          HB2       GLU  73  -9.078 -11.242  -0.099
  558   2HB   GLU  73          HB3       GLU  73  -8.866 -12.417  -1.387
  559   1HG   GLU  73          HG2       GLU  73  -7.469 -13.781   0.062
  560   2HG   GLU  73          HG3       GLU  73  -7.638 -12.594   1.355
  561    H    ALA  74           HN       ALA  74  -7.581 -12.559  -3.101
  562    HA   ALA  74           HA       ALA  74  -5.531 -14.498  -2.861
  563   1HB   ALA  74          HB1       ALA  74  -7.095 -13.722  -5.319
  564   2HB   ALA  74          HB2       ALA  74  -6.193 -15.219  -5.076
  565   3HB   ALA  74          HB3       ALA  74  -7.621 -14.881  -4.097
  566    H    PHE  75           HN       PHE  75  -5.510 -11.279  -4.009
  567    HA   PHE  75           HA       PHE  75  -3.336 -11.592  -5.855
  568   1HB   PHE  75          HB2       PHE  75  -4.960  -9.789  -6.148
  569   2HB   PHE  75          HB3       PHE  75  -4.486  -9.095  -4.601
  570    HD1  PHE  75           HD1      PHE  75  -2.408  -7.894  -4.359
  571    HD2  PHE  75           HD2      PHE  75  -3.522  -9.613  -8.090
  572    HE1  PHE  75           HE1      PHE  75  -0.678  -6.556  -5.488
  573    HE2  PHE  75           HE2      PHE  75  -1.792  -8.280  -9.224
  574    HZ   PHE  75           HZ       PHE  75  -0.349  -6.772  -7.917
  575    H    LEU  76           HN       LEU  76  -3.665 -10.718  -2.475
  576    HA   LEU  76           HA       LEU  76  -1.014  -9.764  -2.142
  577   1HB   LEU  76          HB2       LEU  76  -3.170  -9.542  -0.646
  578   2HB   LEU  76          HB3       LEU  76  -2.538 -10.992   0.110
  579    HG   LEU  76           HG       LEU  76  -1.909  -8.946   1.319
  580   1HD1  LEU  76          HD11      LEU  76   0.395  -9.464   1.644
  581   2HD1  LEU  76          HD12      LEU  76  -0.467 -10.971   1.336
  582   3HD1  LEU  76          HD13      LEU  76   0.499 -10.231   0.058
  583   1HD2  LEU  76          HD21      LEU  76  -1.747  -7.291  -0.325
  584   2HD2  LEU  76          HD22      LEU  76  -0.096  -7.537   0.235
  585   3HD2  LEU  76          HD23      LEU  76  -0.621  -8.238  -1.294
  586    H    THR  77           HN       THR  77  -2.521 -12.938  -1.805
  587    HA   THR  77           HA       THR  77  -0.348 -14.251  -0.591
  588    HB   THR  77           HB       THR  77  -2.371 -15.478  -2.477
  589    HG1  THR  77           HG1      THR  77  -3.583 -15.842  -0.559
  590   1HG2  THR  77          HG21      THR  77  -0.442 -16.908  -1.923
  591   2HG2  THR  77          HG22      THR  77  -1.945 -17.530  -1.240
  592   3HG2  THR  77          HG23      THR  77  -0.789 -16.689  -0.208
  593    H    ALA  78           HN       ALA  78  -1.050 -13.377  -3.891
  594    HA   ALA  78           HA       ALA  78   0.829 -15.074  -5.157
  595   1HB   ALA  78          HB1       ALA  78   0.535 -13.604  -7.100
  596   2HB   ALA  78          HB2       ALA  78  -1.009 -14.063  -6.383
  597   3HB   ALA  78          HB3       ALA  78  -0.344 -12.457  -6.089
  598    H    GLN  79           HN       GLN  79   1.249 -12.384  -3.182
  599    HA   GLN  79           HA       GLN  79   3.773 -11.582  -4.405
  600   1HB   GLN  79          HB2       GLN  79   2.810 -10.458  -1.813
  601   2HB   GLN  79          HB3       GLN  79   3.683  -9.668  -3.118
  602   1HG   GLN  79          HG2       GLN  79   1.644  -9.714  -4.482
  603   2HG   GLN  79          HG3       GLN  79   0.777 -10.446  -3.135
  604   1HE2  GLN  79          HE21      GLN  79   2.353  -8.807  -1.216
  605   2HE2  GLN  79          HE22      GLN  79   1.644  -7.235  -1.281
  606    H    THR  80           HN       THR  80   2.659 -13.820  -2.199
  607    HA   THR  80           HA       THR  80   5.217 -13.881  -0.741
  608    HB   THR  80           HB       THR  80   4.071 -15.275   0.934
  609    HG1  THR  80           HG1      THR  80   2.125 -16.041   0.567
  610   1HG2  THR  80          HG21      THR  80   4.111 -12.849   1.243
  611   2HG2  THR  80          HG22      THR  80   2.614 -13.537   1.873
  612   3HG2  THR  80          HG23      THR  80   2.614 -12.699   0.321
  613    H    LYS  81           HN       LYS  81   3.421 -15.397  -3.155
  614    HA   LYS  81           HA       LYS  81   4.747 -17.982  -2.797
  615   1HB   LYS  81          HB2       LYS  81   2.653 -17.172  -4.820
  616   2HB   LYS  81          HB3       LYS  81   3.238 -18.804  -4.523
  617   1HG   LYS  81          HG2       LYS  81   2.285 -18.776  -2.300
  618   2HG   LYS  81          HG3       LYS  81   1.763 -17.107  -2.522
  619   1HD   LYS  81          HD2       LYS  81   0.819 -19.477  -4.136
  620   2HD   LYS  81          HD3       LYS  81  -0.083 -18.689  -2.840
  621   1HE   LYS  81          HE2       LYS  81  -1.003 -17.694  -4.697
  622   2HE   LYS  81          HE3       LYS  81   0.270 -16.547  -4.288
  623   1HZ   LYS  81          HZ1       LYS  81   0.561 -18.708  -6.303
  624   2HZ   LYS  81          HZ2       LYS  81   1.660 -17.463  -5.985
  625   3HZ   LYS  81          HZ3       LYS  81   0.158 -17.108  -6.677
  626    H    LYS  82           HN       LYS  82   5.328 -15.078  -4.246
  627    HA   LYS  82           HA       LYS  82   6.526 -16.094  -6.683
  628   1HB   LYS  82          HB2       LYS  82   7.025 -13.796  -7.201
  629   2HB   LYS  82          HB3       LYS  82   5.369 -13.887  -6.620
  630   1HG   LYS  82          HG2       LYS  82   5.931 -12.908  -4.559
  631   2HG   LYS  82          HG3       LYS  82   7.657 -13.165  -4.822
  632   1HD   LYS  82          HD2       LYS  82   7.335 -10.882  -5.238
  633   2HD   LYS  82          HD3       LYS  82   7.400 -11.617  -6.840
  634   1HE   LYS  82          HE2       LYS  82   4.865 -11.723  -6.725
  635   2HE   LYS  82          HE3       LYS  82   4.989 -10.667  -5.319
  636   1HZ   LYS  82          HZ1       LYS  82   4.604  -9.385  -7.314
  637   2HZ   LYS  82          HZ2       LYS  82   5.976 -10.048  -8.051
  638   3HZ   LYS  82          HZ3       LYS  82   6.145  -9.042  -6.703
  639    H    GLN  83           HN       GLN  83   8.794 -14.847  -7.080
  640    HA   GLN  83           HA       GLN  83  10.547 -15.859  -4.959
  641   1HB   GLN  83          HB2       GLN  83  12.333 -15.687  -6.693
  642   2HB   GLN  83          HB3       GLN  83  11.037 -16.799  -7.110
  643   1HG   GLN  83          HG2       GLN  83  10.041 -15.072  -8.544
  644   2HG   GLN  83          HG3       GLN  83  11.382 -13.996  -8.151
  645   1HE2  GLN  83          HE21      GLN  83  13.427 -14.433  -8.981
  646   2HE2  GLN  83          HE22      GLN  83  13.668 -15.512 -10.308
  647    H    GLY  84           HN       GLY  84  11.891 -14.553  -3.832
  648   1HA   GLY  84          HA1       GLY  84  12.823 -12.615  -3.021
  649   2HA   GLY  84          HA2       GLY  84  12.790 -12.019  -4.675
  650    H    GLY  85           HN       GLY  85   9.776 -13.017  -3.433
  651   1HA   GLY  85          HA1       GLY  85   8.617 -10.452  -3.701
  652   2HA   GLY  85          HA2       GLY  85   7.852 -11.861  -2.983
  653    H    ILE  86           HN       ILE  86   6.986 -11.107  -1.147
  654    HA   ILE  86           HA       ILE  86   8.736  -9.573   0.656
  655    HB   ILE  86           HB       ILE  86   6.781  -8.592   1.637
  656   1HG1  ILE  86          HG12      ILE  86   5.144 -10.297  -0.258
  657   2HG1  ILE  86          HG13      ILE  86   5.335 -10.618   1.463
  658   1HG2  ILE  86          HG21      ILE  86   7.551  -7.441  -0.296
  659   2HG2  ILE  86          HG22      ILE  86   6.763  -8.592  -1.376
  660   3HG2  ILE  86          HG23      ILE  86   5.792  -7.483  -0.405
  661   1HD1  ILE  86          HD11      ILE  86   4.068  -8.168   0.259
  662   2HD1  ILE  86          HD12      ILE  86   3.217  -9.531   0.987
  663   3HD1  ILE  86          HD13      ILE  86   4.247  -8.502   1.982
  664    H    THR  87           HN       THR  87   8.308  -9.905   2.998
  665    HA   THR  87           HA       THR  87   8.278 -12.748   3.569
  666    HB   THR  87           HB       THR  87   8.967 -12.116   5.830
  667    HG1  THR  87           HG1      THR  87   9.421  -9.700   5.999
  668   1HG2  THR  87          HG21      THR  87  10.698 -12.288   4.111
  669   2HG2  THR  87          HG22      THR  87  11.103 -11.038   5.287
  670   3HG2  THR  87          HG23      THR  87  10.471 -10.587   3.703
  671    H    SER  88           HN       SER  88   7.196 -13.311   5.786
  672    HA   SER  88           HA       SER  88   4.404 -13.070   5.428
  673   1HB   SER  88          HB2       SER  88   5.402 -15.019   6.524
  674   2HB   SER  88          HB3       SER  88   5.964 -14.002   7.851
  675    HG   SER  88           HG       SER  88   3.310 -13.687   7.423
  676    H    ASP  89           HN       ASP  89   6.701 -11.463   7.570
  677    HA   ASP  89           HA       ASP  89   4.833 -10.079   9.155
  678   1HB   ASP  89          HB2       ASP  89   7.198 -10.297   9.779
  679   2HB   ASP  89          HB3       ASP  89   7.660  -9.292   8.409
  680    H    GLN  90           HN       GLN  90   5.977  -9.579   5.941
  681    HA   GLN  90           HA       GLN  90   5.119  -6.825   5.775
  682   1HB   GLN  90          HB2       GLN  90   6.188  -8.810   3.774
  683   2HB   GLN  90          HB3       GLN  90   5.588  -7.234   3.276
  684   1HG   GLN  90          HG2       GLN  90   7.236  -6.182   4.797
  685   2HG   GLN  90          HG3       GLN  90   7.875  -7.786   5.155
  686   1HE2  GLN  90          HE21      GLN  90   7.567  -5.285   2.762
  687   2HE2  GLN  90          HE22      GLN  90   8.768  -5.891   1.679
  688    H    ALA  91           HN       ALA  91   4.110  -9.885   4.277
  689    HA   ALA  91           HA       ALA  91   1.816  -8.917   3.006
  690   1HB   ALA  91          HB1       ALA  91   2.820 -11.050   2.438
  691   2HB   ALA  91          HB2       ALA  91   2.402 -11.694   4.025
  692   3HB   ALA  91          HB3       ALA  91   1.128 -11.273   2.880
  693    H    ALA  92           HN       ALA  92   2.427  -9.549   6.315
  694    HA   ALA  92           HA       ALA  92  -0.213 -10.149   7.163
  695   1HB   ALA  92          HB1       ALA  92   1.739 -10.708   8.508
  696   2HB   ALA  92          HB2       ALA  92   2.086  -8.992   8.729
  697   3HB   ALA  92          HB3       ALA  92   0.616  -9.690   9.411
  698    H    VAL  93           HN       VAL  93   1.561  -7.119   6.767
  699    HA   VAL  93           HA       VAL  93  -0.620  -5.606   7.938
  700    HB   VAL  93           HB       VAL  93   2.035  -5.124   7.920
  701   1HG1  VAL  93          HG11      VAL  93   2.045  -4.648   5.495
  702   2HG1  VAL  93          HG12      VAL  93   0.946  -3.301   5.783
  703   3HG1  VAL  93          HG13      VAL  93   2.569  -3.277   6.470
  704   1HG2  VAL  93          HG21      VAL  93  -0.120  -3.026   8.035
  705   2HG2  VAL  93          HG22      VAL  93   0.344  -4.099   9.356
  706   3HG2  VAL  93          HG23      VAL  93   1.491  -2.908   8.742
  707    H    ILE  94           HN       ILE  94   0.559  -6.421   4.754
  708    HA   ILE  94           HA       ILE  94  -0.985  -4.378   3.416
  709    HB   ILE  94           HB       ILE  94   0.220  -6.775   2.066
  710   1HG1  ILE  94          HG12      ILE  94   1.715  -4.212   2.594
  711   2HG1  ILE  94          HG13      ILE  94   1.830  -5.594   3.681
  712   1HG2  ILE  94          HG21      ILE  94  -1.152  -5.389   0.663
  713   2HG2  ILE  94          HG22      ILE  94  -0.329  -3.933   1.223
  714   3HG2  ILE  94          HG23      ILE  94   0.539  -5.111   0.238
  715   1HD1  ILE  94          HD11      ILE  94   3.641  -5.365   1.945
  716   2HD1  ILE  94          HD12      ILE  94   2.831  -6.931   2.026
  717   3HD1  ILE  94          HD13      ILE  94   2.418  -5.789   0.749
  718    H    SER  95           HN       SER  95  -1.295  -7.868   3.972
  719    HA   SER  95           HA       SER  95  -3.478  -8.363   2.306
  720   1HB   SER  95          HB2       SER  95  -2.233 -10.168   3.353
  721   2HB   SER  95          HB3       SER  95  -2.777  -9.655   4.951
  722    HG   SER  95           HG       SER  95  -4.278 -10.812   2.859
  723    H    LYS  96           HN       LYS  96  -3.319  -6.449   5.081
  724    HA   LYS  96           HA       LYS  96  -6.108  -6.732   5.803
  725   1HB   LYS  96          HB2       LYS  96  -4.503  -4.502   6.908
  726   2HB   LYS  96          HB3       LYS  96  -5.596  -5.612   7.723
  727   1HG   LYS  96          HG2       LYS  96  -3.719  -7.359   7.198
  728   2HG   LYS  96          HG3       LYS  96  -2.713  -5.915   7.083
  729   1HD   LYS  96          HD2       LYS  96  -2.569  -6.705   9.323
  730   2HD   LYS  96          HD3       LYS  96  -3.565  -5.243   9.331
  731   1HE   LYS  96          HE2       LYS  96  -4.528  -6.975  10.760
  732   2HE   LYS  96          HE3       LYS  96  -5.585  -6.608   9.398
  733   1HZ   LYS  96          HZ1       LYS  96  -5.401  -8.993   9.793
  734   2HZ   LYS  96          HZ2       LYS  96  -3.729  -8.922   9.550
  735   3HZ   LYS  96          HZ3       LYS  96  -4.782  -8.579   8.273
  736    H    PHE  97           HN       PHE  97  -4.654  -5.343   3.320
  737    HA   PHE  97           HA       PHE  97  -5.217  -2.729   3.076
  738   1HB   PHE  97          HB2       PHE  97  -5.819  -3.346   0.586
  739   2HB   PHE  97          HB3       PHE  97  -4.184  -3.511   1.211
  740    HD1  PHE  97           HD1      PHE  97  -3.587  -5.108  -0.556
  741    HD2  PHE  97           HD2      PHE  97  -6.773  -5.899   2.152
  742    HE1  PHE  97           HE1      PHE  97  -3.585  -7.468  -1.244
  743    HE2  PHE  97           HE2      PHE  97  -6.773  -8.265   1.467
  744    HZ   PHE  97           HZ       PHE  97  -5.086  -9.025  -0.306
  745    H    TRP  98           HN       TRP  98  -7.712  -5.148   3.401
  746    HA   TRP  98           HA       TRP  98  -9.640  -2.965   3.185
  747   1HB   TRP  98          HB2       TRP  98 -11.256  -4.436   1.951
  748   2HB   TRP  98          HB3       TRP  98  -9.872  -3.889   1.018
  749    HD1  TRP  98           HD1      TRP  98  -8.579  -5.689  -0.245
  750    HE1  TRP  98           HE1      TRP  98  -8.538  -8.259  -0.257
  751    HE3  TRP  98           HE3      TRP  98 -11.674  -6.578   3.730
  752    HZ2  TRP  98           HZ2      TRP  98  -9.664 -10.380   1.212
  753    HZ3  TRP  98           HZ3      TRP  98 -12.145  -8.911   4.353
  754    HH2  TRP  98           HH2      TRP  98 -11.163 -10.773   3.117
  755    H    LYS  99           HN       LYS  99  -8.666  -5.898   4.691
  756    HA   LYS  99           HA       LYS  99 -11.196  -6.413   5.955
  757   1HB   LYS  99          HB2       LYS  99 -10.097  -8.159   7.146
  758   2HB   LYS  99          HB3       LYS  99  -9.465  -8.173   5.507
  759   1HG   LYS  99          HG2       LYS  99  -7.386  -7.736   6.175
  760   2HG   LYS  99          HG3       LYS  99  -7.909  -6.526   7.346
  761   1HD   LYS  99          HD2       LYS  99  -8.126  -9.505   7.764
  762   2HD   LYS  99          HD3       LYS  99  -6.798  -8.509   8.363
  763   1HE   LYS  99          HE2       LYS  99  -8.298  -7.231   9.733
  764   2HE   LYS  99          HE3       LYS  99  -9.698  -8.042   9.030
  765   1HZ   LYS  99          HZ1       LYS  99  -8.952 -10.113  10.017
  766   2HZ   LYS  99          HZ2       LYS  99  -9.143  -8.931  11.212
  767   3HZ   LYS  99          HZ3       LYS  99  -7.593  -9.348  10.673
  768    H    SER 100           HN       SER 100  -8.651  -4.242   6.501
  769    HA   SER 100           HA       SER 100  -8.973  -4.025   9.351
  770   1HB   SER 100          HB2       SER 100  -6.818  -3.495   8.305
  771   2HB   SER 100          HB3       SER 100  -7.574  -2.192   7.388
  772    HG   SER 100           HG       SER 100  -7.908  -1.070   9.268
  773    H    HIS 101           HN       HIS 101 -10.617  -2.867   6.621
  774    HA   HIS 101           HA       HIS 101 -12.088  -0.940   8.292
  775   1HB   HIS 101          HB2       HIS 101 -11.392  -0.590   5.369
  776   2HB   HIS 101          HB3       HIS 101 -12.339   0.524   6.346
  777    HD1  HIS 101           HD1      HIS 101  -8.823  -0.686   5.828
  778    HD2  HIS 101           HD2      HIS 101 -10.867   2.230   7.969
  779    HE1  HIS 101           HE1      HIS 101  -7.049   0.847   6.739
  780    HE2  HIS 101           HE2      HIS 101  -8.314   2.653   7.954
  781    H    LYS 102           HN       LYS 102 -12.387  -3.826   7.041
  782    HA   LYS 102           HA       LYS 102 -15.228  -3.473   6.466
  783   1HB   LYS 102          HB2       LYS 102 -13.943  -3.464   4.296
  784   2HB   LYS 102          HB3       LYS 102 -13.465  -5.116   4.651
  785   1HG   LYS 102          HG2       LYS 102 -15.812  -5.797   4.652
  786   2HG   LYS 102          HG3       LYS 102 -16.289  -4.137   4.286
  787   1HD   LYS 102          HD2       LYS 102 -14.361  -5.612   2.525
  788   2HD   LYS 102          HD3       LYS 102 -16.101  -5.837   2.348
  789   1HE   LYS 102          HE2       LYS 102 -15.311  -4.145   0.802
  790   2HE   LYS 102          HE3       LYS 102 -16.368  -3.419   2.010
  791   1HZ   LYS 102          HZ1       LYS 102 -14.490  -2.535   3.151
  792   2HZ   LYS 102          HZ2       LYS 102 -14.331  -2.121   1.520
  793   3HZ   LYS 102          HZ3       LYS 102 -13.405  -3.379   2.166
  794    H    THR 103           HN       THR 103 -14.881  -4.375   8.755
  795    HA   THR 103           HA       THR 103 -15.383  -7.236   8.628
  796    HB   THR 103           HB       THR 103 -13.858  -7.543  10.683
  797    HG1  THR 103           HG1      THR 103 -12.238  -6.064  10.932
  798   1HG2  THR 103          HG21      THR 103 -11.923  -8.044   9.277
  799   2HG2  THR 103          HG22      THR 103 -12.610  -7.077   7.972
  800   3HG2  THR 103          HG23      THR 103 -13.417  -8.556   8.494
  801    H    LYS 104           HN       LYS 104 -14.789  -4.634  10.993
  802    HA   LYS 104           HA       LYS 104 -17.468  -5.090  12.084
  803   1HB   LYS 104          HB2       LYS 104 -16.691  -5.105  14.360
  804   2HB   LYS 104          HB3       LYS 104 -15.825  -6.349  13.473
  805   1HG   LYS 104          HG2       LYS 104 -14.672  -3.618  13.955
  806   2HG   LYS 104          HG3       LYS 104 -14.481  -4.950  15.095
  807   1HD   LYS 104          HD2       LYS 104 -13.523  -6.296  13.194
  808   2HD   LYS 104          HD3       LYS 104 -13.513  -4.806  12.246
  809   1HE   LYS 104          HE2       LYS 104 -12.064  -5.278  14.849
  810   2HE   LYS 104          HE3       LYS 104 -11.331  -5.211  13.248
  811   1HZ   LYS 104          HZ1       LYS 104 -12.792  -2.961  14.521
  812   2HZ   LYS 104          HZ2       LYS 104 -11.942  -2.916  13.060
  813   3HZ   LYS 104          HZ3       LYS 104 -11.108  -3.130  14.515
  814    H    ILE 105           HN       ILE 105 -15.651  -3.017  10.575
  815    HA   ILE 105           HA       ILE 105 -16.084  -0.686  12.282
  816    HB   ILE 105           HB       ILE 105 -14.742  -0.866   9.580
  817   1HG1  ILE 105          HG12      ILE 105 -12.696  -0.332  11.108
  818   2HG1  ILE 105          HG13      ILE 105 -13.703  -0.976  12.398
  819   1HG2  ILE 105          HG21      ILE 105 -15.599   1.339   9.912
  820   2HG2  ILE 105          HG22      ILE 105 -14.973   1.388  11.561
  821   3HG2  ILE 105          HG23      ILE 105 -13.858   1.382  10.195
  822   1HD1  ILE 105          HD11      ILE 105 -13.833  -3.103  11.309
  823   2HD1  ILE 105          HD12      ILE 105 -13.005  -2.473   9.885
  824   3HD1  ILE 105          HD13      ILE 105 -12.140  -2.621  11.415
  825    H    ARG 106           HN       ARG 106 -16.968  -1.885   9.057
  826    HA   ARG 106           HA       ARG 106 -19.014   0.216   8.880
  827   1HB   ARG 106          HB2       ARG 106 -17.449   0.093   7.001
  828   2HB   ARG 106          HB3       ARG 106 -17.882  -1.591   6.736
  829   1HG   ARG 106          HG2       ARG 106 -20.136  -0.950   6.137
  830   2HG   ARG 106          HG3       ARG 106 -19.771   0.741   6.488
  831   1HD   ARG 106          HD2       ARG 106 -18.112   0.772   4.711
  832   2HD   ARG 106          HD3       ARG 106 -18.405  -0.937   4.386
  833    HE   ARG 106           HE       ARG 106 -20.828   0.456   4.163
  834   1HH1  ARG 106          HH12      ARG 106 -17.762   0.151   2.534
  835   2HH1  ARG 106          HH11      ARG 106 -18.410   0.537   0.974
  836   1HH2  ARG 106          HH22      ARG 106 -21.686   0.965   2.113
  837   2HH2  ARG 106          HH21      ARG 106 -20.637   1.000   0.734
  838    H    GLU 107           HN       GLU 107 -18.530  -3.260   8.804
  839    HA   GLU 107           HA       GLU 107 -19.944  -5.021   9.028
  840   1HB   GLU 107          HB2       GLU 107 -21.825  -2.925  10.128
  841   2HB   GLU 107          HB3       GLU 107 -22.048  -4.664  10.269
  842   1HG   GLU 107          HG2       GLU 107 -19.992  -4.825  11.574
  843   2HG   GLU 107          HG3       GLU 107 -19.765  -3.083  11.429
  844    H    SER 108           HN       SER 108 -20.447  -5.801   7.081
  845    HA   SER 108           HA       SER 108 -22.998  -5.190   5.938
  846   1HB   SER 108          HB2       SER 108 -21.702  -3.329   4.997
  847   2HB   SER 108          HB3       SER 108 -20.519  -4.468   4.355
  848    HG   SER 108           HG       SER 108 -23.099  -3.890   3.480
  Start of MODEL   16
    1   1H    MET   1          H1        MET   1  19.420  -7.289   1.791
    2   2H    MET   1          H2        MET   1  18.806  -6.975   3.336
    3   3H    MET   1          H3        MET   1  19.524  -8.468   3.001
    4    HA   MET   1           HA       MET   1  20.993  -7.054   4.288
    5   1HB   MET   1          HB2       MET   1  21.813  -8.713   2.552
    6   2HB   MET   1          HB3       MET   1  22.017  -7.350   1.462
    7   1HG   MET   1          HG2       MET   1  23.324  -7.425   4.156
    8   2HG   MET   1          HG3       MET   1  24.060  -8.175   2.742
    9   1HE   MET   1          HE1       MET   1  25.489  -5.872   4.502
   10   2HE   MET   1          HE2       MET   1  26.205  -6.709   3.125
   11   3HE   MET   1          HE3       MET   1  26.214  -4.947   3.185
   12    H    ALA   2           HN       ALA   2  20.418  -5.724   1.029
   13    HA   ALA   2           HA       ALA   2  21.476  -3.146   1.862
   14   1HB   ALA   2          HB1       ALA   2  22.047  -4.042  -0.355
   15   2HB   ALA   2          HB2       ALA   2  20.342  -3.985  -0.805
   16   3HB   ALA   2          HB3       ALA   2  21.214  -2.491  -0.461
   17    H    ALA   3           HN       ALA   3  18.416  -4.690   1.243
   18    HA   ALA   3           HA       ALA   3  17.034  -2.385   2.352
   19   1HB   ALA   3          HB1       ALA   3  15.410  -2.261   0.543
   20   2HB   ALA   3          HB2       ALA   3  17.038  -1.951  -0.059
   21   3HB   ALA   3          HB3       ALA   3  16.277  -3.517  -0.339
   22    H    GLY   4           HN       GLY   4  14.592  -2.932   2.526
   23   1HA   GLY   4          HA1       GLY   4  13.455  -5.393   2.443
   24   2HA   GLY   4          HA2       GLY   4  14.428  -5.461   3.905
   25    H    GLU   5           HN       GLU   5  14.071  -3.631   5.465
   26    HA   GLU   5           HA       GLU   5  11.188  -3.212   5.725
   27   1HB   GLU   5          HB2       GLU   5  13.440  -2.936   7.718
   28   2HB   GLU   5          HB3       GLU   5  11.760  -2.571   8.075
   29   1HG   GLU   5          HG2       GLU   5  12.245  -4.746   8.911
   30   2HG   GLU   5          HG3       GLU   5  11.188  -4.919   7.512
   31    H    LEU   6           HN       LEU   6  10.255  -1.272   5.537
   32    HA   LEU   6           HA       LEU   6  11.864   0.981   4.726
   33   1HB   LEU   6          HB2       LEU   6   8.883   0.631   5.063
   34   2HB   LEU   6          HB3       LEU   6   9.624   2.125   4.527
   35    HG   LEU   6           HG       LEU   6  10.543   0.933   2.553
   36   1HD1  LEU   6          HD11      LEU   6   9.577  -1.288   2.001
   37   2HD1  LEU   6          HD12      LEU   6  10.677  -1.313   3.377
   38   3HD1  LEU   6          HD13      LEU   6   8.935  -1.371   3.640
   39   1HD2  LEU   6          HD21      LEU   6   7.569   0.903   3.000
   40   2HD2  LEU   6          HD22      LEU   6   8.541   2.137   2.198
   41   3HD2  LEU   6          HD23      LEU   6   8.310   0.562   1.436
   42    H    GLU   7           HN       GLU   7   9.111   1.060   6.956
   43    HA   GLU   7           HA       GLU   7  10.811   2.305   8.998
   44   1HB   GLU   7          HB2       GLU   7   8.155   3.389   8.040
   45   2HB   GLU   7          HB3       GLU   7   9.039   3.984   9.437
   46   1HG   GLU   7          HG2       GLU   7  10.199   3.958   6.672
   47   2HG   GLU   7          HG3       GLU   7   9.265   5.312   7.306
   48    H    GLY   8           HN       GLY   8   9.205  -0.281   8.399
   49   1HA   GLY   8          HA1       GLY   8   8.741  -1.731  10.330
   50   2HA   GLY   8          HA2       GLY   8   7.863  -0.379  11.029
   51    H    GLY   9           HN       GLY   9   5.997  -1.681  11.251
   52   1HA   GLY   9          HA1       GLY   9   4.773  -2.813   8.879
   53   2HA   GLY   9          HA2       GLY   9   4.123  -2.849  10.511
   54    H    LYS  10           HN       LYS  10   4.422   0.031  10.870
   55    HA   LYS  10           HA       LYS  10   1.893   0.894  10.158
   56   1HB   LYS  10          HB2       LYS  10   3.046   2.007  11.910
   57   2HB   LYS  10          HB3       LYS  10   4.387   2.430  10.855
   58   1HG   LYS  10          HG2       LYS  10   2.921   3.944   9.606
   59   2HG   LYS  10          HG3       LYS  10   1.587   3.526  10.685
   60   1HD   LYS  10          HD2       LYS  10   2.830   4.416  12.585
   61   2HD   LYS  10          HD3       LYS  10   4.188   4.801  11.527
   62   1HE   LYS  10          HE2       LYS  10   2.835   6.782  11.987
   63   2HE   LYS  10          HE3       LYS  10   2.786   6.356  10.277
   64   1HZ   LYS  10          HZ1       LYS  10   0.596   6.943  11.152
   65   2HZ   LYS  10          HZ2       LYS  10   0.688   5.673  12.264
   66   3HZ   LYS  10          HZ3       LYS  10   0.636   5.341  10.606
   67    HA   PRO  11           HA       PRO  11   3.871   3.366   6.443
   68   1HB   PRO  11          HB2       PRO  11   6.115   2.269   5.361
   69   2HB   PRO  11          HB3       PRO  11   6.153   3.532   6.598
   70   1HG   PRO  11          HG2       PRO  11   6.428   0.563   6.922
   71   2HG   PRO  11          HG3       PRO  11   7.406   1.857   7.639
   72   1HD   PRO  11          HD2       PRO  11   5.484   0.641   9.040
   73   2HD   PRO  11          HD3       PRO  11   5.779   2.384   9.214
   74    H    LEU  12           HN       LEU  12   5.015   0.010   6.055
   75    HA   LEU  12           HA       LEU  12   4.075  -0.365   3.473
   76   1HB   LEU  12          HB2       LEU  12   5.666  -1.831   4.735
   77   2HB   LEU  12          HB3       LEU  12   4.291  -2.495   5.594
   78    HG   LEU  12           HG       LEU  12   3.366  -3.270   3.406
   79   1HD1  LEU  12          HD11      LEU  12   4.879  -3.360   1.483
   80   2HD1  LEU  12          HD12      LEU  12   4.507  -1.699   1.942
   81   3HD1  LEU  12          HD13      LEU  12   6.065  -2.406   2.374
   82   1HD2  LEU  12          HD21      LEU  12   6.110  -4.269   4.160
   83   2HD2  LEU  12          HD22      LEU  12   4.576  -4.798   4.850
   84   3HD2  LEU  12          HD23      LEU  12   4.945  -5.136   3.158
   85    H    SER  13           HN       SER  13   2.350  -0.460   6.485
   86    HA   SER  13           HA       SER  13   0.060  -1.842   5.408
   87   1HB   SER  13          HB2       SER  13   0.581  -2.077   7.777
   88   2HB   SER  13          HB3       SER  13   0.426  -0.335   8.008
   89    HG   SER  13           HG       SER  13  -1.537  -2.276   7.685
   90    H    GLY  14           HN       GLY  14   1.035   1.473   6.000
   91   1HA   GLY  14          HA1       GLY  14  -1.521   2.386   4.839
   92   2HA   GLY  14          HA2       GLY  14  -0.526   3.343   5.930
   93    H    LEU  15           HN       LEU  15   0.830   1.439   3.335
   94    HA   LEU  15           HA       LEU  15   2.012   3.819   2.203
   95   1HB   LEU  15          HB2       LEU  15   2.744   1.157   2.367
   96   2HB   LEU  15          HB3       LEU  15   2.377   1.385   0.667
   97    HG   LEU  15           HG       LEU  15   3.943   3.592   1.522
   98   1HD1  LEU  15          HD11      LEU  15   4.717   2.238   3.368
   99   2HD1  LEU  15          HD12      LEU  15   5.117   0.921   2.262
  100   3HD1  LEU  15          HD13      LEU  15   6.005   2.441   2.180
  101   1HD2  LEU  15          HD21      LEU  15   4.562   1.252  -0.263
  102   2HD2  LEU  15          HD22      LEU  15   3.843   2.789  -0.749
  103   3HD2  LEU  15          HD23      LEU  15   5.507   2.740  -0.165
  104    H    LEU  16           HN       LEU  16  -0.249   1.293   1.137
  105    HA   LEU  16           HA       LEU  16  -0.704   2.160  -1.451
  106   1HB   LEU  16          HB2       LEU  16  -2.838   1.112   0.416
  107   2HB   LEU  16          HB3       LEU  16  -2.866   1.066  -1.334
  108    HG   LEU  16           HG       LEU  16  -2.312  -1.105  -0.873
  109   1HD1  LEU  16          HD11      LEU  16   0.034  -1.486  -1.308
  110   2HD1  LEU  16          HD12      LEU  16  -0.536  -0.128  -2.278
  111   3HD1  LEU  16          HD13      LEU  16   0.424   0.166  -0.827
  112   1HD2  LEU  16          HD21      LEU  16  -0.374  -0.474   1.311
  113   2HD2  LEU  16          HD22      LEU  16  -2.108  -0.474   1.639
  114   3HD2  LEU  16          HD23      LEU  16  -1.324  -1.933   1.035
  115    H    ASN  17           HN       ASN  17  -1.460   3.597   1.526
  116    HA   ASN  17           HA       ASN  17  -3.561   5.335   0.666
  117   1HB   ASN  17          HB2       ASN  17  -1.742   5.258   3.074
  118   2HB   ASN  17          HB3       ASN  17  -2.953   6.523   2.849
  119   1HD2  ASN  17          HD21      ASN  17  -4.844   4.699   1.567
  120   2HD2  ASN  17          HD22      ASN  17  -5.498   3.724   2.834
  121    H    ALA  18           HN       ALA  18  -0.166   5.922   1.594
  122    HA   ALA  18           HA       ALA  18   0.025   8.576   0.778
  123   1HB   ALA  18          HB1       ALA  18   1.704   7.491   2.153
  124   2HB   ALA  18          HB2       ALA  18   2.179   6.467   0.800
  125   3HB   ALA  18          HB3       ALA  18   2.445   8.209   0.725
  126    H    LEU  19           HN       LEU  19   0.381   5.592  -1.035
  127    HA   LEU  19           HA       LEU  19   1.462   6.698  -3.400
  128   1HB   LEU  19          HB2       LEU  19  -0.137   4.166  -3.048
  129   2HB   LEU  19          HB3       LEU  19   0.864   4.566  -4.431
  130    HG   LEU  19           HG       LEU  19   1.956   4.266  -1.636
  131   1HD1  LEU  19          HD11      LEU  19   1.948   2.231  -3.858
  132   2HD1  LEU  19          HD12      LEU  19   2.691   2.056  -2.268
  133   3HD1  LEU  19          HD13      LEU  19   0.937   2.163  -2.414
  134   1HD2  LEU  19          HD21      LEU  19   4.093   4.024  -2.828
  135   2HD2  LEU  19          HD22      LEU  19   3.262   4.347  -4.349
  136   3HD2  LEU  19          HD23      LEU  19   3.343   5.596  -3.107
  137    H    ALA  20           HN       ALA  20  -1.303   7.639  -2.168
  138    HA   ALA  20           HA       ALA  20  -3.212   7.242  -4.222
  139   1HB   ALA  20          HB1       ALA  20  -4.489   8.999  -3.116
  140   2HB   ALA  20          HB2       ALA  20  -3.836   7.860  -1.938
  141   3HB   ALA  20          HB3       ALA  20  -3.076   9.436  -2.157
  142    H    GLN  21           HN       GLN  21  -0.372   8.695  -4.565
  143    HA   GLN  21           HA       GLN  21  -0.610  11.219  -5.541
  144   1HB   GLN  21          HB2       GLN  21   1.475   9.820  -5.409
  145   2HB   GLN  21          HB3       GLN  21   0.986   9.054  -6.913
  146   1HG   GLN  21          HG2       GLN  21   1.029  11.279  -8.001
  147   2HG   GLN  21          HG3       GLN  21   1.650  11.958  -6.497
  148   1HE2  GLN  21          HE21      GLN  21   3.740  11.396  -5.809
  149   2HE2  GLN  21          HE22      GLN  21   4.909  10.753  -6.907
  150    H    ASP  22           HN       ASP  22  -1.577   8.245  -7.156
  151    HA   ASP  22           HA       ASP  22  -2.937   9.875  -9.194
  152   1HB   ASP  22          HB2       ASP  22  -1.471   7.272  -9.679
  153   2HB   ASP  22          HB3       ASP  22  -2.427   8.141 -10.876
  154    H    THR  23           HN       THR  23  -4.201   9.072  -6.906
  155    HA   THR  23           HA       THR  23  -5.581   6.578  -7.326
  156    HB   THR  23           HB       THR  23  -5.095   7.387  -5.045
  157    HG1  THR  23           HG1      THR  23  -7.407   7.155  -4.329
  158   1HG2  THR  23          HG21      THR  23  -6.387   9.222  -4.100
  159   2HG2  THR  23          HG22      THR  23  -7.167   9.494  -5.658
  160   3HG2  THR  23          HG23      THR  23  -5.439   9.786  -5.476
  161    H    PHE  24           HN       PHE  24  -5.945   9.746  -8.429
  162    HA   PHE  24           HA       PHE  24  -7.531  10.818  -9.651
  163   1HB   PHE  24          HB2       PHE  24  -7.528   8.700 -10.944
  164   2HB   PHE  24          HB3       PHE  24  -8.798   8.080  -9.895
  165    HD1  PHE  24           HD1      PHE  24 -11.064   8.697 -10.206
  166    HD2  PHE  24           HD2      PHE  24  -7.996  10.602 -12.459
  167    HE1  PHE  24           HE1      PHE  24 -12.767   9.697 -11.674
  168    HE2  PHE  24           HE2      PHE  24  -9.693  11.605 -13.930
  169    HZ   PHE  24           HZ       PHE  24 -12.079  11.136 -13.553
  170    H    HIS  25           HN       HIS  25  -9.741   8.369  -8.368
  171    HA   HIS  25           HA       HIS  25 -11.224  10.520  -7.035
  172   1HB   HIS  25          HB2       HIS  25 -12.467   9.157  -8.679
  173   2HB   HIS  25          HB3       HIS  25 -12.116   7.713  -7.734
  174    HD1  HIS  25           HD1      HIS  25 -14.320  10.710  -7.835
  175    HD2  HIS  25           HD2      HIS  25 -13.604   7.458  -5.347
  176    HE1  HIS  25           HE1      HIS  25 -16.238  10.670  -6.210
  177    HE2  HIS  25           HE2      HIS  25 -15.811   8.667  -4.745
  178    H    GLY  26           HN       GLY  26 -10.189  10.731  -5.085
  179   1HA   GLY  26          HA1       GLY  26 -10.833   8.836  -3.060
  180   2HA   GLY  26          HA2       GLY  26  -9.131   8.735  -3.485
  181    H    TYR  27           HN       TYR  27  -7.743  10.126  -2.587
  182    HA   TYR  27           HA       TYR  27  -8.864  12.240  -0.880
  183   1HB   TYR  27          HB2       TYR  27  -7.528  10.522   0.269
  184   2HB   TYR  27          HB3       TYR  27  -6.155  10.896  -0.765
  185    HD1  TYR  27           HD1      TYR  27  -8.222  12.068   2.032
  186    HD2  TYR  27           HD2      TYR  27  -4.829  12.885  -0.401
  187    HE1  TYR  27           HE1      TYR  27  -7.484  13.773   3.643
  188    HE2  TYR  27           HE2      TYR  27  -4.082  14.592   1.203
  189    HH   TYR  27           HH       TYR  27  -5.136  16.060   2.956
  190    HA   PRO  28           HA       PRO  28  -6.974  14.868  -4.067
  191   1HB   PRO  28          HB2       PRO  28  -8.329  17.118  -3.459
  192   2HB   PRO  28          HB3       PRO  28  -9.063  15.797  -4.378
  193   1HG   PRO  28          HG2       PRO  28  -9.332  16.463  -1.471
  194   2HG   PRO  28          HG3       PRO  28 -10.583  15.968  -2.627
  195   1HD   PRO  28          HD2       PRO  28  -9.429  14.255  -0.845
  196   2HD   PRO  28          HD3       PRO  28 -10.072  13.739  -2.416
  197    H    GLY  29           HN       GLY  29  -4.925  15.413  -3.595
  198   1HA   GLY  29          HA1       GLY  29  -3.635  17.368  -2.763
  199   2HA   GLY  29          HA2       GLY  29  -4.470  17.136  -1.236
  200    H    ILE  30           HN       ILE  30  -2.731  14.991  -3.492
  201    HA   ILE  30           HA       ILE  30  -1.023  14.172  -1.240
  202    HB   ILE  30           HB       ILE  30  -2.599  12.394  -1.589
  203   1HG1  ILE  30          HG12      ILE  30  -1.010  10.549  -2.413
  204   2HG1  ILE  30          HG13      ILE  30   0.171  11.835  -2.638
  205   1HG2  ILE  30          HG21      ILE  30  -2.986  11.304  -3.673
  206   2HG2  ILE  30          HG22      ILE  30  -3.212  13.036  -3.906
  207   3HG2  ILE  30          HG23      ILE  30  -1.732  12.256  -4.465
  208   1HD1  ILE  30          HD11      ILE  30   0.262  10.527  -0.463
  209   2HD1  ILE  30          HD12      ILE  30   0.274  12.288  -0.344
  210   3HD1  ILE  30          HD13      ILE  30  -1.209  11.392  -0.016
  211    H    THR  31           HN       THR  31   0.487  15.717  -2.046
  212    HA   THR  31           HA       THR  31   1.562  15.648  -4.661
  213    HB   THR  31           HB       THR  31   2.947  16.642  -2.162
  214    HG1  THR  31           HG1      THR  31   1.953  18.678  -2.814
  215   1HG2  THR  31          HG21      THR  31   3.252  17.304  -5.089
  216   2HG2  THR  31          HG22      THR  31   4.456  16.581  -4.021
  217   3HG2  THR  31          HG23      THR  31   3.963  18.258  -3.788
  218    H    GLU  32           HN       GLU  32   3.764  15.003  -5.258
  219    HA   GLU  32           HA       GLU  32   4.325  12.339  -4.592
  220   1HB   GLU  32          HB2       GLU  32   5.024  13.349  -6.713
  221   2HB   GLU  32          HB3       GLU  32   6.137  14.407  -5.857
  222   1HG   GLU  32          HG2       GLU  32   7.431  12.478  -5.130
  223   2HG   GLU  32          HG3       GLU  32   6.305  11.403  -5.957
  224    H    GLU  33           HN       GLU  33   5.952  15.342  -3.601
  225    HA   GLU  33           HA       GLU  33   7.810  14.023  -1.883
  226   1HB   GLU  33          HB2       GLU  33   8.355  16.277  -1.088
  227   2HB   GLU  33          HB3       GLU  33   8.283  16.228  -2.845
  228   1HG   GLU  33          HG2       GLU  33   6.001  17.166  -2.738
  229   2HG   GLU  33          HG3       GLU  33   6.172  17.302  -0.989
  230    H    LEU  34           HN       LEU  34   4.552  14.545  -1.670
  231    HA   LEU  34           HA       LEU  34   4.389  14.994   1.181
  232   1HB   LEU  34          HB2       LEU  34   2.771  15.835  -0.634
  233   2HB   LEU  34          HB3       LEU  34   2.136  14.204  -0.650
  234    HG   LEU  34           HG       LEU  34   0.829  15.851   0.712
  235   1HD1  LEU  34          HD11      LEU  34   0.278  14.293   2.375
  236   2HD1  LEU  34          HD12      LEU  34   0.854  13.336   1.010
  237   3HD1  LEU  34          HD13      LEU  34   1.907  13.616   2.396
  238   1HD2  LEU  34          HD21      LEU  34   3.220  15.681   2.543
  239   2HD2  LEU  34          HD22      LEU  34   2.689  17.110   1.655
  240   3HD2  LEU  34          HD23      LEU  34   1.674  16.436   2.930
  241    H    LEU  35           HN       LEU  35   3.350  12.403  -1.041
  242    HA   LEU  35           HA       LEU  35   2.481  10.547   0.756
  243   1HB   LEU  35          HB2       LEU  35   2.641   8.997  -0.953
  244   2HB   LEU  35          HB3       LEU  35   2.483  10.517  -1.792
  245    HG   LEU  35           HG       LEU  35   5.164  10.326  -1.749
  246   1HD1  LEU  35          HD11      LEU  35   5.777   7.992  -2.274
  247   2HD1  LEU  35          HD12      LEU  35   5.227   8.192  -0.610
  248   3HD1  LEU  35          HD13      LEU  35   4.153   7.482  -1.815
  249   1HD2  LEU  35          HD21      LEU  35   3.901  10.739  -3.735
  250   2HD2  LEU  35          HD22      LEU  35   4.957   9.359  -4.041
  251   3HD2  LEU  35          HD23      LEU  35   3.241   9.104  -3.720
  252    H    ARG  36           HN       ARG  36   5.795  11.355  -0.052
  253    HA   ARG  36           HA       ARG  36   7.020   9.112   1.168
  254   1HB   ARG  36          HB2       ARG  36   8.415  10.273  -0.291
  255   2HB   ARG  36          HB3       ARG  36   7.960  11.842   0.358
  256   1HG   ARG  36          HG2       ARG  36   9.189  11.277   2.438
  257   2HG   ARG  36          HG3       ARG  36   9.736   9.786   1.662
  258   1HD   ARG  36          HD2       ARG  36  10.943  11.004   0.010
  259   2HD   ARG  36          HD3       ARG  36  10.209  12.529   0.505
  260    HE   ARG  36           HE       ARG  36  11.770  11.169   2.533
  261   1HH1  ARG  36          HH12      ARG  36  11.721  13.568   0.003
  262   2HH1  ARG  36          HH11      ARG  36  13.102  14.419   0.608
  263   1HH2  ARG  36          HH22      ARG  36  13.589  12.286   3.333
  264   2HH2  ARG  36          HH21      ARG  36  14.163  13.692   2.501
  265    H    SER  37           HN       SER  37   6.809  12.476   2.312
  266    HA   SER  37           HA       SER  37   7.762  12.030   4.884
  267   1HB   SER  37          HB2       SER  37   6.719  14.189   5.457
  268   2HB   SER  37          HB3       SER  37   7.561  14.265   3.909
  269    HG   SER  37           HG       SER  37   5.695  15.072   3.307
  270    H    GLN  38           HN       GLN  38   4.701  11.232   3.535
  271    HA   GLN  38           HA       GLN  38   3.005  11.392   5.719
  272   1HB   GLN  38          HB2       GLN  38   3.084   9.505   3.383
  273   2HB   GLN  38          HB3       GLN  38   1.837   9.386   4.615
  274   1HG   GLN  38          HG2       GLN  38   2.399  11.836   2.967
  275   2HG   GLN  38          HG3       GLN  38   1.130  10.659   2.637
  276   1HE2  GLN  38          HE21      GLN  38   2.196  13.227   4.715
  277   2HE2  GLN  38          HE22      GLN  38   0.692  13.468   5.530
  278    H    LEU  39           HN       LEU  39   4.956   8.548   4.734
  279    HA   LEU  39           HA       LEU  39   4.807   7.664   7.534
  280   1HB   LEU  39          HB2       LEU  39   4.699   5.692   5.280
  281   2HB   LEU  39          HB3       LEU  39   4.272   5.460   6.964
  282    HG   LEU  39           HG       LEU  39   2.415   7.274   6.353
  283   1HD1  LEU  39          HD11      LEU  39   1.564   7.013   4.121
  284   2HD1  LEU  39          HD12      LEU  39   3.258   7.496   4.024
  285   3HD1  LEU  39          HD13      LEU  39   2.805   5.816   3.743
  286   1HD2  LEU  39          HD21      LEU  39   2.252   4.332   5.705
  287   2HD2  LEU  39          HD22      LEU  39   1.985   5.074   7.284
  288   3HD2  LEU  39          HD23      LEU  39   0.873   5.405   5.953
  289    H    TYR  40           HN       TYR  40   6.642   7.837   4.569
  290    HA   TYR  40           HA       TYR  40   8.955   6.730   6.024
  291   1HB   TYR  40          HB2       TYR  40   9.699   6.346   3.455
  292   2HB   TYR  40          HB3       TYR  40   8.882   5.131   4.425
  293    HD1  TYR  40           HD1      TYR  40   6.295   5.079   4.276
  294    HD2  TYR  40           HD2      TYR  40   8.777   7.031   1.429
  295    HE1  TYR  40           HE1      TYR  40   4.467   5.003   2.643
  296    HE2  TYR  40           HE2      TYR  40   6.962   6.949  -0.216
  297    HH   TYR  40           HH       TYR  40   4.934   5.686  -0.666
  298    HA   PRO  41           HA       PRO  41  10.184  10.967   4.804
  299   1HB   PRO  41          HB2       PRO  41  11.168  11.760   7.155
  300   2HB   PRO  41          HB3       PRO  41   9.425  11.718   6.863
  301   1HG   PRO  41          HG2       PRO  41  11.144   9.775   8.351
  302   2HG   PRO  41          HG3       PRO  41   9.525  10.376   8.752
  303   1HD   PRO  41          HD2       PRO  41  10.052   7.948   7.533
  304   2HD   PRO  41          HD3       PRO  41   8.502   8.806   7.454
  305    H    GLU  42           HN       GLU  42  11.687   8.169   5.077
  306    HA   GLU  42           HA       GLU  42  14.400   9.266   5.299
  307   1HB   GLU  42          HB2       GLU  42  15.128   6.896   5.457
  308   2HB   GLU  42          HB3       GLU  42  14.042   7.385   6.750
  309   1HG   GLU  42          HG2       GLU  42  12.203   6.265   5.696
  310   2HG   GLU  42          HG3       GLU  42  13.193   5.880   4.290
  311    H    VAL  43           HN       VAL  43  12.353   7.289   3.173
  312    HA   VAL  43           HA       VAL  43  14.408   7.255   1.129
  313    HB   VAL  43           HB       VAL  43  12.953   5.269   1.508
  314   1HG1  VAL  43          HG11      VAL  43  10.678   5.232   0.794
  315   2HG1  VAL  43          HG12      VAL  43  10.869   6.570   1.928
  316   3HG1  VAL  43          HG13      VAL  43  10.785   6.889   0.195
  317   1HG2  VAL  43          HG21      VAL  43  12.552   4.798  -0.868
  318   2HG2  VAL  43          HG22      VAL  43  12.778   6.508  -1.237
  319   3HG2  VAL  43          HG23      VAL  43  14.124   5.558  -0.607
  320    HA   PRO  44           HA       PRO  44  13.141  11.153  -0.645
  321   1HB   PRO  44          HB2       PRO  44  14.141  10.585  -3.184
  322   2HB   PRO  44          HB3       PRO  44  15.053  11.320  -1.862
  323   1HG   PRO  44          HG2       PRO  44  14.953   8.467  -2.744
  324   2HG   PRO  44          HG3       PRO  44  16.342   9.422  -2.189
  325   1HD   PRO  44          HD2       PRO  44  15.180   7.652  -0.577
  326   2HD   PRO  44          HD3       PRO  44  15.734   9.220   0.053
  327    HA   PRO  45           HA       PRO  45   9.390  10.228  -2.819
  328   1HB   PRO  45          HB2       PRO  45   9.640  12.759  -4.284
  329   2HB   PRO  45          HB3       PRO  45   8.465  12.291  -3.052
  330   1HG   PRO  45          HG2       PRO  45  10.358  14.119  -2.545
  331   2HG   PRO  45          HG3       PRO  45   9.827  12.963  -1.303
  332   1HD   PRO  45          HD2       PRO  45  12.253  12.843  -3.076
  333   2HD   PRO  45          HD3       PRO  45  12.137  12.585  -1.320
  334    H    GLU  46           HN       GLU  46  12.016   9.463  -4.127
  335    HA   GLU  46           HA       GLU  46  10.954   9.232  -6.849
  336   1HB   GLU  46          HB2       GLU  46  12.636  11.028  -6.856
  337   2HB   GLU  46          HB3       GLU  46  13.817   9.923  -6.167
  338   1HG   GLU  46          HG2       GLU  46  13.758   8.557  -8.155
  339   2HG   GLU  46          HG3       GLU  46  12.482   9.562  -8.840
  340    H    GLU  47           HN       GLU  47  13.417   8.098  -4.549
  341    HA   GLU  47           HA       GLU  47  13.872   5.636  -5.914
  342   1HB   GLU  47          HB2       GLU  47  14.519   6.420  -3.069
  343   2HB   GLU  47          HB3       GLU  47  15.198   5.051  -3.944
  344   1HG   GLU  47          HG2       GLU  47  15.490   7.844  -4.976
  345   2HG   GLU  47          HG3       GLU  47  16.582   7.200  -3.754
  346    H    PHE  48           HN       PHE  48  11.139   6.573  -4.520
  347    HA   PHE  48           HA       PHE  48  10.577   4.304  -2.846
  348   1HB   PHE  48          HB2       PHE  48   8.415   5.247  -2.530
  349   2HB   PHE  48          HB3       PHE  48   9.542   6.598  -2.569
  350    HD1  PHE  48           HD1      PHE  48   9.813   7.817  -4.816
  351    HD2  PHE  48           HD2      PHE  48   6.550   5.243  -3.905
  352    HE1  PHE  48           HE1      PHE  48   8.485   8.880  -6.594
  353    HE2  PHE  48           HE2      PHE  48   5.216   6.300  -5.683
  354    HZ   PHE  48           HZ       PHE  48   6.165   8.113  -7.020
  355    H    ARG  49           HN       ARG  49  10.097   5.180  -6.190
  356    HA   ARG  49           HA       ARG  49   8.143   3.310  -6.882
  357   1HB   ARG  49          HB2       ARG  49  10.292   4.615  -8.486
  358   2HB   ARG  49          HB3       ARG  49   9.129   3.515  -9.201
  359   1HG   ARG  49          HG2       ARG  49   8.360   5.986  -7.673
  360   2HG   ARG  49          HG3       ARG  49   8.586   5.950  -9.422
  361   1HD   ARG  49          HD2       ARG  49   6.844   4.225  -9.593
  362   2HD   ARG  49          HD3       ARG  49   6.612   4.298  -7.847
  363    HE   ARG  49           HE       ARG  49   6.208   6.847  -8.572
  364   1HH1  ARG  49          HH12      ARG  49   4.947   3.848  -9.822
  365   2HH1  ARG  49          HH11      ARG  49   3.451   4.546 -10.343
  366   1HH2  ARG  49          HH22      ARG  49   4.242   7.774  -9.258
  367   2HH2  ARG  49          HH21      ARG  49   3.050   6.776 -10.024
  368    HA   PRO  50           HA       PRO  50  11.814   0.341  -8.202
  369   1HB   PRO  50          HB2       PRO  50  13.958   0.591  -6.449
  370   2HB   PRO  50          HB3       PRO  50  13.926   1.191  -8.109
  371   1HG   PRO  50          HG2       PRO  50  13.447   2.654  -5.555
  372   2HG   PRO  50          HG3       PRO  50  14.281   3.198  -7.022
  373   1HD   PRO  50          HD2       PRO  50  11.793   4.009  -6.451
  374   2HD   PRO  50          HD3       PRO  50  12.292   3.678  -8.123
  375    H    PHE  51           HN       PHE  51  11.268   1.463  -4.908
  376    HA   PHE  51           HA       PHE  51  11.445  -1.173  -3.785
  377   1HB   PHE  51          HB2       PHE  51  11.553   1.354  -2.721
  378   2HB   PHE  51          HB3       PHE  51   9.931   0.839  -2.265
  379    HD1  PHE  51           HD1      PHE  51   9.813  -1.617  -1.266
  380    HD2  PHE  51           HD2      PHE  51  13.284   0.852  -1.307
  381    HE1  PHE  51           HE1      PHE  51  10.760  -2.915   0.599
  382    HE2  PHE  51           HE2      PHE  51  14.233  -0.443   0.556
  383    HZ   PHE  51           HZ       PHE  51  12.971  -2.329   1.511
  384    H    LEU  52           HN       LEU  52   9.043   0.761  -5.322
  385    HA   LEU  52           HA       LEU  52   6.787  -0.688  -4.295
  386   1HB   LEU  52          HB2       LEU  52   7.112   1.281  -6.546
  387   2HB   LEU  52          HB3       LEU  52   5.590   0.488  -6.212
  388    HG   LEU  52           HG       LEU  52   7.072   2.334  -4.343
  389   1HD1  LEU  52          HD11      LEU  52   5.330   3.903  -4.786
  390   2HD1  LEU  52          HD12      LEU  52   5.986   3.374  -6.334
  391   3HD1  LEU  52          HD13      LEU  52   4.445   2.729  -5.762
  392   1HD2  LEU  52          HD21      LEU  52   5.034   2.170  -2.963
  393   2HD2  LEU  52          HD22      LEU  52   4.435   0.909  -4.040
  394   3HD2  LEU  52          HD23      LEU  52   5.895   0.636  -3.090
  395    H    ALA  53           HN       ALA  53   9.156  -1.326  -6.625
  396    HA   ALA  53           HA       ALA  53   7.848  -2.561  -8.701
  397   1HB   ALA  53          HB1       ALA  53   9.831  -3.943  -9.002
  398   2HB   ALA  53          HB2       ALA  53  10.283  -2.285  -8.601
  399   3HB   ALA  53          HB3       ALA  53  10.372  -3.546  -7.372
  400    H    LYS  54           HN       LYS  54   8.075  -3.564  -5.422
  401    HA   LYS  54           HA       LYS  54   6.653  -6.056  -6.078
  402   1HB   LYS  54          HB2       LYS  54   8.560  -5.484  -3.807
  403   2HB   LYS  54          HB3       LYS  54   7.570  -6.934  -3.911
  404   1HG   LYS  54          HG2       LYS  54   8.679  -7.507  -6.033
  405   2HG   LYS  54          HG3       LYS  54   9.706  -6.083  -5.857
  406   1HD   LYS  54          HD2       LYS  54   9.551  -8.329  -3.849
  407   2HD   LYS  54          HD3       LYS  54  10.776  -8.211  -5.112
  408   1HE   LYS  54          HE2       LYS  54  10.294  -6.215  -2.902
  409   2HE   LYS  54          HE3       LYS  54  11.626  -7.368  -2.988
  410   1HZ   LYS  54          HZ1       LYS  54  12.351  -5.207  -3.713
  411   2HZ   LYS  54          HZ2       LYS  54  11.120  -5.129  -4.870
  412   3HZ   LYS  54          HZ3       LYS  54  12.361  -6.266  -5.032
  413    H    MET  55           HN       MET  55   6.339  -3.038  -4.803
  414    HA   MET  55           HA       MET  55   4.096  -3.836  -3.060
  415   1HB   MET  55          HB2       MET  55   6.001  -1.499  -2.792
  416   2HB   MET  55          HB3       MET  55   4.527  -1.670  -1.849
  417   1HG   MET  55          HG2       MET  55   6.353  -2.389  -0.508
  418   2HG   MET  55          HG3       MET  55   5.419  -3.813  -0.951
  419   1HE   MET  55          HE1       MET  55   9.086  -5.183  -0.786
  420   2HE   MET  55          HE2       MET  55   8.337  -3.974   0.259
  421   3HE   MET  55          HE3       MET  55   7.428  -5.406  -0.228
  422    H    ARG  56           HN       ARG  56   4.434  -2.925  -6.039
  423    HA   ARG  56           HA       ARG  56   2.669  -0.589  -5.978
  424   1HB   ARG  56          HB2       ARG  56   3.367  -0.046  -8.108
  425   2HB   ARG  56          HB3       ARG  56   4.809  -0.818  -7.472
  426   1HG   ARG  56          HG2       ARG  56   2.778  -2.336  -9.079
  427   2HG   ARG  56          HG3       ARG  56   4.087  -1.429  -9.833
  428   1HD   ARG  56          HD2       ARG  56   5.735  -2.762  -8.710
  429   2HD   ARG  56          HD3       ARG  56   4.496  -3.574  -7.756
  430    HE   ARG  56           HE       ARG  56   3.748  -4.649  -9.791
  431   1HH1  ARG  56          HH12      ARG  56   6.843  -3.052  -9.932
  432   2HH1  ARG  56          HH11      ARG  56   7.400  -3.972 -11.288
  433   1HH2  ARG  56          HH22      ARG  56   4.477  -5.866 -11.578
  434   2HH2  ARG  56          HH21      ARG  56   6.057  -5.569 -12.224
  435    H    GLY  57           HN       GLY  57   2.739  -3.958  -6.888
  436   1HA   GLY  57          HA1       GLY  57   0.533  -4.147  -8.551
  437   2HA   GLY  57          HA2       GLY  57   1.040  -5.406  -7.432
  438    H    ILE  58           HN       ILE  58   0.621  -3.247  -5.264
  439    HA   ILE  58           HA       ILE  58  -2.155  -3.951  -4.774
  440    HB   ILE  58           HB       ILE  58  -0.329  -2.407  -2.952
  441   1HG1  ILE  58          HG12      ILE  58  -0.352  -4.961  -1.983
  442   2HG1  ILE  58          HG13      ILE  58  -0.299  -5.243  -3.717
  443   1HG2  ILE  58          HG21      ILE  58  -1.789  -3.330  -1.208
  444   2HG2  ILE  58          HG22      ILE  58  -2.679  -2.345  -2.369
  445   3HG2  ILE  58          HG23      ILE  58  -2.766  -4.104  -2.456
  446   1HD1  ILE  58          HD11      ILE  58   1.641  -3.570  -2.140
  447   2HD1  ILE  58          HD12      ILE  58   1.932  -5.192  -2.771
  448   3HD1  ILE  58          HD13      ILE  58   1.692  -3.843  -3.882
  449    H    LEU  59           HN       LEU  59  -0.131  -1.089  -5.219
  450    HA   LEU  59           HA       LEU  59  -2.008   0.872  -4.584
  451   1HB   LEU  59          HB2       LEU  59   0.333   1.396  -4.844
  452   2HB   LEU  59          HB3       LEU  59   0.301   0.940  -6.532
  453    HG   LEU  59           HG       LEU  59   0.314   3.450  -5.892
  454   1HD1  LEU  59          HD11      LEU  59  -0.025   2.479  -8.162
  455   2HD1  LEU  59          HD12      LEU  59  -1.760   2.521  -7.861
  456   3HD1  LEU  59          HD13      LEU  59  -0.837   4.022  -7.894
  457   1HD2  LEU  59          HD21      LEU  59  -1.867   4.459  -5.578
  458   2HD2  LEU  59          HD22      LEU  59  -2.630   2.870  -5.583
  459   3HD2  LEU  59          HD23      LEU  59  -1.535   3.319  -4.276
  460    H    LYS  60           HN       LYS  60  -1.139  -0.260  -7.877
  461    HA   LYS  60           HA       LYS  60  -3.245   1.133  -9.125
  462   1HB   LYS  60          HB2       LYS  60  -2.452   0.292 -11.076
  463   2HB   LYS  60          HB3       LYS  60  -1.069  -0.105 -10.071
  464   1HG   LYS  60          HG2       LYS  60  -3.313  -2.020 -10.670
  465   2HG   LYS  60          HG3       LYS  60  -1.814  -1.926 -11.595
  466   1HD   LYS  60          HD2       LYS  60  -0.542  -2.429  -9.553
  467   2HD   LYS  60          HD3       LYS  60  -2.055  -2.564  -8.655
  468   1HE   LYS  60          HE2       LYS  60  -1.206  -4.763  -9.304
  469   2HE   LYS  60          HE3       LYS  60  -2.751  -4.415 -10.077
  470   1HZ   LYS  60          HZ1       LYS  60  -1.571  -3.826 -12.098
  471   2HZ   LYS  60          HZ2       LYS  60  -1.179  -5.401 -11.625
  472   3HZ   LYS  60          HZ3       LYS  60  -0.083  -4.141 -11.354
  473    H    SER  61           HN       SER  61  -3.259  -1.686  -7.246
  474    HA   SER  61           HA       SER  61  -5.548  -2.930  -8.457
  475   1HB   SER  61          HB2       SER  61  -3.816  -4.211  -7.211
  476   2HB   SER  61          HB3       SER  61  -4.344  -3.419  -5.724
  477    HG   SER  61           HG       SER  61  -6.522  -4.307  -6.463
  478    H    ILE  62           HN       ILE  62  -4.989  -1.073  -5.473
  479    HA   ILE  62           HA       ILE  62  -7.812  -1.059  -4.844
  480    HB   ILE  62           HB       ILE  62  -5.393   0.130  -3.504
  481   1HG1  ILE  62          HG12      ILE  62  -6.293  -1.341  -1.620
  482   2HG1  ILE  62          HG13      ILE  62  -7.383  -2.032  -2.816
  483   1HG2  ILE  62          HG21      ILE  62  -8.285   0.536  -2.750
  484   2HG2  ILE  62          HG22      ILE  62  -6.917   0.887  -1.693
  485   3HG2  ILE  62          HG23      ILE  62  -7.115   1.776  -3.203
  486   1HD1  ILE  62          HD11      ILE  62  -5.393  -3.401  -2.466
  487   2HD1  ILE  62          HD12      ILE  62  -5.496  -2.801  -4.121
  488   3HD1  ILE  62          HD13      ILE  62  -4.381  -2.052  -2.980
  489    H    ALA  63           HN       ALA  63  -5.393   1.320  -5.894
  490    HA   ALA  63           HA       ALA  63  -7.347   3.445  -5.957
  491   1HB   ALA  63          HB1       ALA  63  -5.494   4.846  -6.708
  492   2HB   ALA  63          HB2       ALA  63  -5.069   3.921  -5.268
  493   3HB   ALA  63          HB3       ALA  63  -4.471   3.416  -6.848
  494    H    SER  64           HN       SER  64  -5.184   2.096  -8.464
  495    HA   SER  64           HA       SER  64  -6.585   3.371 -10.579
  496   1HB   SER  64          HB2       SER  64  -4.208   2.834 -10.742
  497   2HB   SER  64          HB3       SER  64  -4.583   1.112 -10.683
  498    HG   SER  64           HG       SER  64  -5.248   2.971 -12.713
  499    H    ALA  65           HN       ALA  65  -7.199   0.414  -8.923
  500    HA   ALA  65           HA       ALA  65  -9.033  -0.353 -11.103
  501   1HB   ALA  65          HB1       ALA  65  -8.722  -2.685 -10.522
  502   2HB   ALA  65          HB2       ALA  65  -7.172  -1.930 -10.896
  503   3HB   ALA  65          HB3       ALA  65  -7.622  -2.234  -9.220
  504    H    ASP  66           HN       ASP  66  -8.559  -0.236  -7.602
  505    HA   ASP  66           HA       ASP  66 -10.022  -0.223  -5.860
  506   1HB   ASP  66          HB2       ASP  66 -10.990   1.700  -7.019
  507   2HB   ASP  66          HB3       ASP  66 -11.988   0.629  -7.997
  508    H    MET  67           HN       MET  67 -10.068  -2.331  -5.264
  509    HA   MET  67           HA       MET  67 -12.068  -4.070  -6.538
  510   1HB   MET  67          HB2       MET  67  -9.692  -4.814  -4.824
  511   2HB   MET  67          HB3       MET  67 -10.803  -5.945  -5.586
  512   1HG   MET  67          HG2       MET  67  -9.119  -3.980  -7.112
  513   2HG   MET  67          HG3       MET  67  -8.624  -5.634  -6.761
  514   1HE   MET  67          HE1       MET  67  -8.748  -4.437  -9.723
  515   2HE   MET  67          HE2       MET  67  -8.255  -6.088  -9.348
  516   3HE   MET  67          HE3       MET  67  -9.481  -5.793 -10.581
  517    H    ASP  68           HN       ASP  68 -12.406  -5.966  -4.617
  518    HA   ASP  68           HA       ASP  68 -13.812  -4.467  -2.517
  519   1HB   ASP  68          HB2       ASP  68 -14.284  -7.312  -3.430
  520   2HB   ASP  68          HB3       ASP  68 -15.284  -6.386  -2.317
  521    H    PHE  69           HN       PHE  69 -14.248  -6.615  -0.768
  522    HA   PHE  69           HA       PHE  69 -11.663  -6.701   0.534
  523   1HB   PHE  69          HB2       PHE  69 -13.120  -7.981   2.304
  524   2HB   PHE  69          HB3       PHE  69 -13.271  -6.237   2.123
  525    HD1  PHE  69           HD1      PHE  69 -14.915  -9.446   1.800
  526    HD2  PHE  69           HD2      PHE  69 -15.223  -5.290   0.947
  527    HE1  PHE  69           HE1      PHE  69 -17.328  -9.713   1.400
  528    HE2  PHE  69           HE2      PHE  69 -17.638  -5.547   0.548
  529    HZ   PHE  69           HZ       PHE  69 -18.699  -7.761   0.805
  530    H    ASN  70           HN       ASN  70 -13.985  -8.994  -0.832
  531    HA   ASN  70           HA       ASN  70 -12.238 -11.236  -0.221
  532   1HB   ASN  70          HB2       ASN  70 -15.007 -10.940  -1.308
  533   2HB   ASN  70          HB3       ASN  70 -14.122 -12.420  -1.653
  534   1HD2  ASN  70          HD21      ASN  70 -13.469 -13.745   0.089
  535   2HD2  ASN  70          HD22      ASN  70 -14.284 -13.674   1.610
  536    H    GLN  71           HN       GLN  71 -11.631  -9.002  -2.219
  537    HA   GLN  71           HA       GLN  71 -11.171 -10.702  -4.579
  538   1HB   GLN  71          HB2       GLN  71 -11.312  -7.690  -4.366
  539   2HB   GLN  71          HB3       GLN  71 -10.918  -8.572  -5.835
  540   1HG   GLN  71          HG2       GLN  71 -13.513  -8.780  -4.326
  541   2HG   GLN  71          HG3       GLN  71 -13.248  -7.819  -5.781
  542   1HE2  GLN  71          HE21      GLN  71 -15.109 -10.000  -5.333
  543   2HE2  GLN  71          HE22      GLN  71 -14.735 -11.209  -6.511
  544    H    LEU  72           HN       LEU  72  -9.672  -8.211  -2.540
  545    HA   LEU  72           HA       LEU  72  -7.083  -8.532  -3.729
  546   1HB   LEU  72          HB2       LEU  72  -7.805  -7.228  -1.104
  547   2HB   LEU  72          HB3       LEU  72  -6.306  -7.034  -1.989
  548    HG   LEU  72           HG       LEU  72  -9.011  -6.106  -2.938
  549   1HD1  LEU  72          HD11      LEU  72  -6.670  -4.517  -1.899
  550   2HD1  LEU  72          HD12      LEU  72  -8.231  -3.885  -2.425
  551   3HD1  LEU  72          HD13      LEU  72  -8.126  -4.889  -0.977
  552   1HD2  LEU  72          HD21      LEU  72  -7.715  -4.929  -4.664
  553   2HD2  LEU  72          HD22      LEU  72  -6.244  -5.702  -4.076
  554   3HD2  LEU  72          HD23      LEU  72  -7.531  -6.678  -4.785
  555    H    GLU  73           HN       GLU  73  -8.803  -9.996  -1.103
  556    HA   GLU  73           HA       GLU  73  -6.806 -10.893   0.561
  557   1HB   GLU  73          HB2       GLU  73  -9.221 -11.209   0.964
  558   2HB   GLU  73          HB3       GLU  73  -9.260 -12.440  -0.289
  559   1HG   GLU  73          HG2       GLU  73  -7.748 -13.834   1.007
  560   2HG   GLU  73          HG3       GLU  73  -7.655 -12.590   2.253
  561    H    ALA  74           HN       ALA  74  -7.848 -12.273  -2.521
  562    HA   ALA  74           HA       ALA  74  -5.997 -14.485  -2.314
  563   1HB   ALA  74          HB1       ALA  74  -6.832 -15.127  -4.511
  564   2HB   ALA  74          HB2       ALA  74  -8.163 -14.787  -3.405
  565   3HB   ALA  74          HB3       ALA  74  -7.712 -13.604  -4.632
  566    H    PHE  75           HN       PHE  75  -5.898 -11.265  -3.456
  567    HA   PHE  75           HA       PHE  75  -3.901 -11.638  -5.469
  568   1HB   PHE  75          HB2       PHE  75  -5.426  -9.739  -5.563
  569   2HB   PHE  75          HB3       PHE  75  -4.792  -9.133  -4.036
  570    HD1  PHE  75           HD1      PHE  75  -2.730  -7.945  -3.937
  571    HD2  PHE  75           HD2      PHE  75  -4.049  -9.676  -7.596
  572    HE1  PHE  75           HE1      PHE  75  -1.013  -6.670  -5.155
  573    HE2  PHE  75           HE2      PHE  75  -2.333  -8.406  -8.819
  574    HZ   PHE  75           HZ       PHE  75  -0.813  -6.901  -7.599
  575    H    LEU  76           HN       LEU  76  -3.849 -10.595  -2.082
  576    HA   LEU  76           HA       LEU  76  -1.141  -9.883  -1.976
  577   1HB   LEU  76          HB2       LEU  76  -3.156  -9.672  -0.253
  578   2HB   LEU  76          HB3       LEU  76  -2.413 -11.113   0.413
  579    HG   LEU  76           HG       LEU  76  -1.693  -9.010   1.521
  580   1HD1  LEU  76          HD11      LEU  76  -0.270 -11.005   1.556
  581   2HD1  LEU  76          HD12      LEU  76   0.524 -10.449   0.082
  582   3HD1  LEU  76          HD13      LEU  76   0.669  -9.511   1.569
  583   1HD2  LEU  76          HD21      LEU  76  -0.517  -8.424  -1.185
  584   2HD2  LEU  76          HD22      LEU  76  -1.706  -7.470  -0.301
  585   3HD2  LEU  76          HD23      LEU  76  -0.052  -7.592   0.297
  586    H    THR  77           HN       THR  77  -2.729 -13.001  -1.688
  587    HA   THR  77           HA       THR  77  -0.543 -14.448  -0.651
  588    HB   THR  77           HB       THR  77  -2.646 -15.579  -2.501
  589    HG1  THR  77           HG1      THR  77  -4.046 -15.096  -0.997
  590   1HG2  THR  77          HG21      THR  77  -1.191 -16.825  -0.168
  591   2HG2  THR  77          HG22      THR  77  -0.722 -17.027  -1.856
  592   3HG2  THR  77          HG23      THR  77  -2.282 -17.633  -1.295
  593    H    ALA  78           HN       ALA  78  -1.251 -13.190  -3.773
  594    HA   ALA  78           HA       ALA  78   0.436 -14.942  -5.275
  595   1HB   ALA  78          HB1       ALA  78   0.066 -13.404  -7.119
  596   2HB   ALA  78          HB2       ALA  78  -1.455 -13.754  -6.298
  597   3HB   ALA  78          HB3       ALA  78  -0.632 -12.220  -6.015
  598    H    GLN  79           HN       GLN  79   0.909 -12.064  -3.420
  599    HA   GLN  79           HA       GLN  79   3.429 -11.382  -4.644
  600   1HB   GLN  79          HB2       GLN  79   2.307 -10.384  -2.027
  601   2HB   GLN  79          HB3       GLN  79   3.570  -9.636  -2.993
  602   1HG   GLN  79          HG2       GLN  79   1.783  -9.450  -4.821
  603   2HG   GLN  79          HG3       GLN  79   0.631  -9.779  -3.531
  604   1HE2  GLN  79          HE21      GLN  79   2.297  -8.408  -1.540
  605   2HE2  GLN  79          HE22      GLN  79   2.082  -6.719  -1.826
  606    H    THR  80           HN       THR  80   2.406 -13.667  -2.412
  607    HA   THR  80           HA       THR  80   5.042 -13.785  -1.113
  608    HB   THR  80           HB       THR  80   4.011 -15.204   0.584
  609    HG1  THR  80           HG1      THR  80   2.408 -16.162  -0.804
  610   1HG2  THR  80          HG21      THR  80   3.913 -12.784   0.916
  611   2HG2  THR  80          HG22      THR  80   2.477 -13.563   1.581
  612   3HG2  THR  80          HG23      THR  80   2.386 -12.715   0.036
  613    H    LYS  81           HN       LYS  81   3.566 -15.003  -3.725
  614    HA   LYS  81           HA       LYS  81   4.962 -17.588  -3.509
  615   1HB   LYS  81          HB2       LYS  81   3.245 -18.518  -5.048
  616   2HB   LYS  81          HB3       LYS  81   2.589 -18.019  -3.497
  617   1HG   LYS  81          HG2       LYS  81   1.791 -15.943  -4.519
  618   2HG   LYS  81          HG3       LYS  81   2.420 -16.480  -6.075
  619   1HD   LYS  81          HD2       LYS  81  -0.002 -16.869  -5.852
  620   2HD   LYS  81          HD3       LYS  81   0.901 -18.368  -6.080
  621   1HE   LYS  81          HE2       LYS  81   0.304 -17.435  -3.311
  622   2HE   LYS  81          HE3       LYS  81  -0.985 -18.176  -4.259
  623   1HZ   LYS  81          HZ1       LYS  81   1.640 -19.413  -3.629
  624   2HZ   LYS  81          HZ2       LYS  81   0.425 -20.123  -4.564
  625   3HZ   LYS  81          HZ3       LYS  81   0.157 -19.816  -2.923
  626    H    LYS  82           HN       LYS  82   4.931 -14.636  -4.966
  627    HA   LYS  82           HA       LYS  82   5.640 -15.430  -7.644
  628   1HB   LYS  82          HB2       LYS  82   6.100 -13.040  -7.989
  629   2HB   LYS  82          HB3       LYS  82   4.513 -13.294  -7.274
  630   1HG   LYS  82          HG2       LYS  82   5.198 -12.478  -5.202
  631   2HG   LYS  82          HG3       LYS  82   6.906 -12.689  -5.587
  632   1HD   LYS  82          HD2       LYS  82   6.443 -10.356  -5.687
  633   2HD   LYS  82          HD3       LYS  82   6.637 -10.922  -7.345
  634   1HE   LYS  82          HE2       LYS  82   4.158 -11.090  -7.504
  635   2HE   LYS  82          HE3       LYS  82   4.053 -10.361  -5.903
  636   1HZ   LYS  82          HZ1       LYS  82   5.250  -9.103  -8.311
  637   2HZ   LYS  82          HZ2       LYS  82   5.199  -8.407  -6.771
  638   3HZ   LYS  82          HZ3       LYS  82   3.763  -8.701  -7.614
  639    H    GLN  83           HN       GLN  83   7.739 -14.077  -8.435
  640    HA   GLN  83           HA       GLN  83   9.955 -15.482  -7.355
  641   1HB   GLN  83          HB2       GLN  83  10.020 -13.062  -9.166
  642   2HB   GLN  83          HB3       GLN  83  11.288 -14.261  -8.959
  643   1HG   GLN  83          HG2       GLN  83   9.805 -15.967  -9.925
  644   2HG   GLN  83          HG3       GLN  83   8.576 -14.728 -10.175
  645   1HE2  GLN  83          HE21      GLN  83  11.676 -15.940 -11.182
  646   2HE2  GLN  83          HE22      GLN  83  11.768 -15.055 -12.663
  647    H    GLY  84           HN       GLY  84  10.236 -14.996  -5.201
  648   1HA   GLY  84          HA1       GLY  84  11.409 -13.817  -3.558
  649   2HA   GLY  84          HA2       GLY  84  11.493 -12.435  -4.644
  650    H    GLY  85           HN       GLY  85   9.294 -11.402  -5.101
  651   1HA   GLY  85          HA1       GLY  85   7.573 -10.146  -4.254
  652   2HA   GLY  85          HA2       GLY  85   7.070 -11.649  -3.499
  653    H    ILE  86           HN       ILE  86   6.330 -10.757  -1.632
  654    HA   ILE  86           HA       ILE  86   8.272  -9.290   0.018
  655    HB   ILE  86           HB       ILE  86   6.408  -8.455   1.298
  656   1HG1  ILE  86          HG12      ILE  86   4.635 -10.109  -0.521
  657   2HG1  ILE  86          HG13      ILE  86   4.998 -10.500   1.157
  658   1HG2  ILE  86          HG21      ILE  86   5.919  -8.254  -1.673
  659   2HG2  ILE  86          HG22      ILE  86   5.258  -7.161  -0.455
  660   3HG2  ILE  86          HG23      ILE  86   7.001  -7.242  -0.716
  661   1HD1  ILE  86          HD11      ILE  86   3.943  -8.368   1.829
  662   2HD1  ILE  86          HD12      ILE  86   3.488  -8.103   0.145
  663   3HD1  ILE  86          HD13      ILE  86   2.836  -9.483   1.030
  664    H    THR  87           HN       THR  87   8.061  -9.700   2.416
  665    HA   THR  87           HA       THR  87   8.276 -12.556   2.863
  666    HB   THR  87           HB       THR  87   9.083 -11.935   5.114
  667    HG1  THR  87           HG1      THR  87   9.265  -9.760   5.659
  668   1HG2  THR  87          HG21      THR  87  10.657 -12.074   3.227
  669   2HG2  THR  87          HG22      THR  87  11.156 -10.862   4.406
  670   3HG2  THR  87          HG23      THR  87  10.398 -10.361   2.895
  671    H    SER  88           HN       SER  88   7.521 -13.101   5.301
  672    HA   SER  88           HA       SER  88   4.716 -13.309   5.166
  673   1HB   SER  88          HB2       SER  88   4.885 -14.269   7.440
  674   2HB   SER  88          HB3       SER  88   6.077 -14.964   6.343
  675    HG   SER  88           HG       SER  88   7.387 -14.435   7.917
  676    H    ASP  89           HN       ASP  89   6.768 -11.443   7.407
  677    HA   ASP  89           HA       ASP  89   4.731 -10.140   8.783
  678   1HB   ASP  89          HB2       ASP  89   6.435  -8.479   9.405
  679   2HB   ASP  89          HB3       ASP  89   7.064 -10.119   9.526
  680    H    GLN  90           HN       GLN  90   6.192  -9.415   5.683
  681    HA   GLN  90           HA       GLN  90   5.021  -6.819   5.426
  682   1HB   GLN  90          HB2       GLN  90   6.276  -8.684   3.412
  683   2HB   GLN  90          HB3       GLN  90   5.688  -7.076   3.005
  684   1HG   GLN  90          HG2       GLN  90   7.265  -6.125   4.647
  685   2HG   GLN  90          HG3       GLN  90   7.886  -7.746   4.952
  686   1HE2  GLN  90          HE21      GLN  90   7.719  -5.111   2.699
  687   2HE2  GLN  90          HE22      GLN  90   8.964  -5.669   1.639
  688    H    ALA  91           HN       ALA  91   4.041 -10.072   4.677
  689    HA   ALA  91           HA       ALA  91   1.889  -9.289   2.933
  690   1HB   ALA  91          HB1       ALA  91   2.429 -11.953   4.239
  691   2HB   ALA  91          HB2       ALA  91   1.303 -11.645   2.916
  692   3HB   ALA  91          HB3       ALA  91   3.036 -11.440   2.664
  693    H    ALA  92           HN       ALA  92   2.283  -9.914   6.341
  694    HA   ALA  92           HA       ALA  92  -0.507 -10.230   6.901
  695   1HB   ALA  92          HB1       ALA  92   0.144 -10.127   9.236
  696   2HB   ALA  92          HB2       ALA  92   1.231 -11.188   8.341
  697   3HB   ALA  92          HB3       ALA  92   1.752  -9.561   8.781
  698    H    VAL  93           HN       VAL  93   1.625  -7.523   6.546
  699    HA   VAL  93           HA       VAL  93  -0.180  -5.705   7.906
  700    HB   VAL  93           HB       VAL  93   2.571  -5.662   7.286
  701   1HG1  VAL  93          HG11      VAL  93   1.121  -3.356   5.997
  702   2HG1  VAL  93          HG12      VAL  93   2.857  -3.436   6.289
  703   3HG1  VAL  93          HG13      VAL  93   2.097  -4.572   5.174
  704   1HG2  VAL  93          HG21      VAL  93   1.659  -4.957   9.381
  705   2HG2  VAL  93          HG22      VAL  93   2.521  -3.597   8.663
  706   3HG2  VAL  93          HG23      VAL  93   0.759  -3.655   8.605
  707    H    ILE  94           HN       ILE  94   0.763  -6.504   4.601
  708    HA   ILE  94           HA       ILE  94  -0.808  -4.368   3.463
  709    HB   ILE  94           HB       ILE  94   0.452  -6.718   2.041
  710   1HG1  ILE  94          HG12      ILE  94   1.551  -3.932   2.499
  711   2HG1  ILE  94          HG13      ILE  94   2.092  -5.377   3.342
  712   1HG2  ILE  94          HG21      ILE  94   0.346  -5.238   0.076
  713   2HG2  ILE  94          HG22      ILE  94  -1.255  -5.598   0.727
  714   3HG2  ILE  94          HG23      ILE  94  -0.506  -4.034   1.046
  715   1HD1  ILE  94          HD11      ILE  94   2.331  -4.838   0.392
  716   2HD1  ILE  94          HD12      ILE  94   3.633  -4.810   1.581
  717   3HD1  ILE  94          HD13      ILE  94   2.821  -6.328   1.199
  718    H    SER  95           HN       SER  95  -1.207  -7.850   3.959
  719    HA   SER  95           HA       SER  95  -3.442  -8.274   2.340
  720   1HB   SER  95          HB2       SER  95  -2.218 -10.117   3.386
  721   2HB   SER  95          HB3       SER  95  -2.775  -9.600   4.978
  722    HG   SER  95           HG       SER  95  -4.763 -10.009   3.105
  723    H    LYS  96           HN       LYS  96  -3.176  -6.406   5.153
  724    HA   LYS  96           HA       LYS  96  -5.935  -6.640   5.969
  725   1HB   LYS  96          HB2       LYS  96  -3.861  -4.633   6.855
  726   2HB   LYS  96          HB3       LYS  96  -5.373  -5.017   7.667
  727   1HG   LYS  96          HG2       LYS  96  -4.615  -7.163   8.271
  728   2HG   LYS  96          HG3       LYS  96  -3.203  -7.040   7.221
  729   1HD   LYS  96          HD2       LYS  96  -2.424  -6.669   9.423
  730   2HD   LYS  96          HD3       LYS  96  -2.478  -5.083   8.648
  731   1HE   LYS  96          HE2       LYS  96  -4.710  -4.721   9.694
  732   2HE   LYS  96          HE3       LYS  96  -4.498  -6.238  10.567
  733   1HZ   LYS  96          HZ1       LYS  96  -2.470  -5.287  11.559
  734   2HZ   LYS  96          HZ2       LYS  96  -3.864  -4.421  11.968
  735   3HZ   LYS  96          HZ3       LYS  96  -2.804  -3.812  10.800
  736    H    PHE  97           HN       PHE  97  -4.585  -5.240   3.389
  737    HA   PHE  97           HA       PHE  97  -5.381  -2.613   3.281
  738   1HB   PHE  97          HB2       PHE  97  -5.620  -3.052   0.745
  739   2HB   PHE  97          HB3       PHE  97  -4.050  -3.239   1.512
  740    HD1  PHE  97           HD1      PHE  97  -3.533  -4.536  -0.657
  741    HD2  PHE  97           HD2      PHE  97  -6.325  -5.871   2.260
  742    HE1  PHE  97           HE1      PHE  97  -3.409  -6.812  -1.577
  743    HE2  PHE  97           HE2      PHE  97  -6.198  -8.152   1.346
  744    HZ   PHE  97           HZ       PHE  97  -4.573  -8.585  -0.630
  745    H    TRP  98           HN       TRP  98  -7.564  -5.139   3.729
  746    HA   TRP  98           HA       TRP  98  -9.701  -3.353   2.799
  747   1HB   TRP  98          HB2       TRP  98 -11.062  -5.312   2.103
  748   2HB   TRP  98          HB3       TRP  98  -9.627  -5.056   1.123
  749    HD1  TRP  98           HD1      TRP  98  -8.122  -7.080   0.760
  750    HE1  TRP  98           HE1      TRP  98  -7.956  -9.451   1.742
  751    HE3  TRP  98           HE3      TRP  98 -11.542  -6.644   4.540
  752    HZ2  TRP  98           HZ2      TRP  98  -9.118 -10.941   3.827
  753    HZ3  TRP  98           HZ3      TRP  98 -11.960  -8.595   5.978
  754    HH2  TRP  98           HH2      TRP  98 -10.773 -10.700   5.628
  755    H    LYS  99           HN       LYS  99  -8.413  -5.018   5.383
  756    HA   LYS  99           HA       LYS  99 -11.030  -5.203   6.709
  757   1HB   LYS  99          HB2       LYS  99  -9.946  -6.619   8.376
  758   2HB   LYS  99          HB3       LYS  99  -9.723  -7.263   6.760
  759   1HG   LYS  99          HG2       LYS  99  -7.638  -7.549   7.676
  760   2HG   LYS  99          HG3       LYS  99  -7.456  -6.009   6.841
  761   1HD   LYS  99          HD2       LYS  99  -6.465  -5.985   9.099
  762   2HD   LYS  99          HD3       LYS  99  -7.759  -4.803   8.919
  763   1HE   LYS  99          HE2       LYS  99  -9.310  -6.364  10.020
  764   2HE   LYS  99          HE3       LYS  99  -7.987  -7.510  10.234
  765   1HZ   LYS  99          HZ1       LYS  99  -8.131  -4.781  11.400
  766   2HZ   LYS  99          HZ2       LYS  99  -6.844  -5.860  11.594
  767   3HZ   LYS  99          HZ3       LYS  99  -8.363  -6.231  12.240
  768    H    SER 100           HN       SER 100  -8.164  -3.371   6.584
  769    HA   SER 100           HA       SER 100  -8.237  -2.363   9.265
  770   1HB   SER 100          HB2       SER 100  -6.145  -2.406   7.972
  771   2HB   SER 100          HB3       SER 100  -6.837  -1.278   6.808
  772    HG   SER 100           HG       SER 100  -5.630  -0.755   9.141
  773    H    HIS 101           HN       HIS 101  -9.969  -1.719   6.411
  774    HA   HIS 101           HA       HIS 101 -10.887   0.866   7.485
  775   1HB   HIS 101          HB2       HIS 101 -10.811  -0.135   4.635
  776   2HB   HIS 101          HB3       HIS 101 -11.612   1.349   5.132
  777    HD1  HIS 101           HD1      HIS 101  -8.262  -0.109   4.466
  778    HD2  HIS 101           HD2      HIS 101  -9.873   3.458   5.859
  779    HE1  HIS 101           HE1      HIS 101  -6.373   1.549   4.402
  780    HE2  HIS 101           HE2      HIS 101  -7.354   3.685   5.315
  781    H    LYS 102           HN       LYS 102 -11.840  -2.298   6.370
  782    HA   LYS 102           HA       LYS 102 -14.661  -1.606   6.773
  783   1HB   LYS 102          HB2       LYS 102 -13.423  -3.956   5.329
  784   2HB   LYS 102          HB3       LYS 102 -15.145  -3.650   5.485
  785   1HG   LYS 102          HG2       LYS 102 -14.946  -1.623   4.188
  786   2HG   LYS 102          HG3       LYS 102 -13.194  -1.824   4.102
  787   1HD   LYS 102          HD2       LYS 102 -13.511  -3.932   2.879
  788   2HD   LYS 102          HD3       LYS 102 -15.259  -3.699   2.948
  789   1HE   LYS 102          HE2       LYS 102 -15.049  -1.645   1.654
  790   2HE   LYS 102          HE3       LYS 102 -13.296  -1.835   1.616
  791   1HZ   LYS 102          HZ1       LYS 102 -15.273  -3.692   0.404
  792   2HZ   LYS 102          HZ2       LYS 102 -13.594  -3.902   0.386
  793   3HZ   LYS 102          HZ3       LYS 102 -14.290  -2.600  -0.436
  794    H    THR 103           HN       THR 103 -15.310  -4.480   6.980
  795    HA   THR 103           HA       THR 103 -15.804  -5.955   8.627
  796    HB   THR 103           HB       THR 103 -13.951  -6.832   9.964
  797    HG1  THR 103           HG1      THR 103 -11.832  -5.633   9.142
  798   1HG2  THR 103          HG21      THR 103 -14.170  -7.615   7.677
  799   2HG2  THR 103          HG22      THR 103 -12.466  -7.498   8.114
  800   3HG2  THR 103          HG23      THR 103 -13.202  -6.259   7.097
  801    H    LYS 104           HN       LYS 104 -17.312  -4.672   9.634
  802    HA   LYS 104           HA       LYS 104 -18.284  -3.393  11.239
  803   1HB   LYS 104          HB2       LYS 104 -17.938  -4.175  13.503
  804   2HB   LYS 104          HB3       LYS 104 -17.973  -5.535  12.392
  805   1HG   LYS 104          HG2       LYS 104 -15.301  -4.461  12.994
  806   2HG   LYS 104          HG3       LYS 104 -16.150  -5.213  14.343
  807   1HD   LYS 104          HD2       LYS 104 -16.466  -7.242  13.041
  808   2HD   LYS 104          HD3       LYS 104 -15.684  -6.492  11.650
  809   1HE   LYS 104          HE2       LYS 104 -13.611  -6.282  12.938
  810   2HE   LYS 104          HE3       LYS 104 -14.396  -7.041  14.322
  811   1HZ   LYS 104          HZ1       LYS 104 -14.708  -9.041  12.999
  812   2HZ   LYS 104          HZ2       LYS 104 -13.068  -8.630  13.084
  813   3HZ   LYS 104          HZ3       LYS 104 -13.947  -8.311  11.675
  814    H    ILE 105           HN       ILE 105 -16.309  -1.909  10.006
  815    HA   ILE 105           HA       ILE 105 -15.423  -0.214  12.247
  816    HB   ILE 105           HB       ILE 105 -13.838  -0.831   9.752
  817   1HG1  ILE 105          HG12      ILE 105 -13.092  -1.120  12.663
  818   2HG1  ILE 105          HG13      ILE 105 -13.746  -2.442  11.703
  819   1HG2  ILE 105          HG21      ILE 105 -12.186   0.758  10.653
  820   2HG2  ILE 105          HG22      ILE 105 -13.714   1.547  10.252
  821   3HG2  ILE 105          HG23      ILE 105 -13.324   1.181  11.934
  822   1HD1  ILE 105          HD11      ILE 105 -11.388  -2.685  11.772
  823   2HD1  ILE 105          HD12      ILE 105 -11.811  -2.143  10.148
  824   3HD1  ILE 105          HD13      ILE 105 -11.140  -1.000  11.313
  825    H    ARG 106           HN       ARG 106 -16.534  -0.442   8.924
  826    HA   ARG 106           HA       ARG 106 -16.499   2.289   8.282
  827   1HB   ARG 106          HB2       ARG 106 -18.337   0.096   7.304
  828   2HB   ARG 106          HB3       ARG 106 -18.226   1.696   6.583
  829   1HG   ARG 106          HG2       ARG 106 -15.827   1.261   6.117
  830   2HG   ARG 106          HG3       ARG 106 -16.056  -0.383   6.716
  831   1HD   ARG 106          HD2       ARG 106 -17.559   0.852   4.409
  832   2HD   ARG 106          HD3       ARG 106 -16.178  -0.233   4.255
  833    HE   ARG 106           HE       ARG 106 -18.383  -1.289   5.789
  834   1HH1  ARG 106          HH12      ARG 106 -16.933  -0.975   2.636
  835   2HH1  ARG 106          HH11      ARG 106 -17.726  -2.373   1.992
  836   1HH2  ARG 106          HH22      ARG 106 -19.428  -3.132   4.950
  837   2HH2  ARG 106          HH21      ARG 106 -19.143  -3.601   3.307
  838    H    GLU 107           HN       GLU 107 -18.935   0.296   9.884
  839    HA   GLU 107           HA       GLU 107 -20.703   2.588  10.184
  840   1HB   GLU 107          HB2       GLU 107 -22.289   1.012  11.156
  841   2HB   GLU 107          HB3       GLU 107 -21.695   0.425   9.609
  842   1HG   GLU 107          HG2       GLU 107 -20.104  -1.020  10.818
  843   2HG   GLU 107          HG3       GLU 107 -20.823  -0.485  12.335
  844    H    SER 108           HN       SER 108 -21.601   3.115  12.320
  845    HA   SER 108           HA       SER 108 -21.329   3.863  14.450
  846   1HB   SER 108          HB2       SER 108 -21.510   1.486  15.006
  847   2HB   SER 108          HB3       SER 108 -19.778   1.279  14.749
  848    HG   SER 108           HG       SER 108 -20.635   3.226  16.566
  Start of MODEL   17
    1   1H    MET   1          H1        MET   1  20.177   3.651  -5.672
    2   2H    MET   1          H2        MET   1  18.955   4.528  -4.897
    3   3H    MET   1          H3        MET   1  19.120   4.612  -6.579
    4    HA   MET   1           HA       MET   1  17.261   3.210  -5.934
    5   1HB   MET   1          HB2       MET   1  17.905   1.231  -7.270
    6   2HB   MET   1          HB3       MET   1  18.383   2.740  -8.034
    7   1HG   MET   1          HG2       MET   1  20.665   2.427  -7.324
    8   2HG   MET   1          HG3       MET   1  20.218   0.977  -6.428
    9   1HE   MET   1          HE1       MET   1  22.604   1.088  -8.637
   10   2HE   MET   1          HE2       MET   1  22.178  -0.296  -7.630
   11   3HE   MET   1          HE3       MET   1  22.324  -0.488  -9.377
   12    H    ALA   2           HN       ALA   2  20.134   2.713  -4.185
   13    HA   ALA   2           HA       ALA   2  19.151   0.258  -2.934
   14   1HB   ALA   2          HB1       ALA   2  21.349   0.150  -1.861
   15   2HB   ALA   2          HB2       ALA   2  21.487   0.281  -3.614
   16   3HB   ALA   2          HB3       ALA   2  21.782   1.693  -2.599
   17    H    ALA   3           HN       ALA   3  17.574   0.780  -1.514
   18    HA   ALA   3           HA       ALA   3  18.103   2.916   0.435
   19   1HB   ALA   3          HB1       ALA   3  15.501   1.538  -0.224
   20   2HB   ALA   3          HB2       ALA   3  15.712   2.884   0.897
   21   3HB   ALA   3          HB3       ALA   3  16.011   3.115  -0.825
   22    H    GLY   4           HN       GLY   4  16.381  -0.211   0.459
   23   1HA   GLY   4          HA1       GLY   4  16.514  -1.987   1.914
   24   2HA   GLY   4          HA2       GLY   4  18.036  -1.326   2.489
   25    H    GLU   5           HN       GLU   5  15.348  -2.400   3.670
   26    HA   GLU   5           HA       GLU   5  14.132  -2.094   5.564
   27   1HB   GLU   5          HB2       GLU   5  16.344  -0.182   6.331
   28   2HB   GLU   5          HB3       GLU   5  15.198  -0.948   7.423
   29   1HG   GLU   5          HG2       GLU   5  17.270  -2.378   5.773
   30   2HG   GLU   5          HG3       GLU   5  17.391  -2.017   7.494
   31    H    LEU   6           HN       LEU   6  12.279  -1.126   4.909
   32    HA   LEU   6           HA       LEU   6  12.240   1.759   4.480
   33   1HB   LEU   6          HB2       LEU   6  11.086   0.007   2.978
   34   2HB   LEU   6          HB3       LEU   6   9.880  -0.083   4.244
   35    HG   LEU   6           HG       LEU   6   9.476   2.363   3.967
   36   1HD1  LEU   6          HD11      LEU   6  11.276   2.036   1.573
   37   2HD1  LEU   6          HD12      LEU   6  10.310   3.461   1.952
   38   3HD1  LEU   6          HD13      LEU   6  11.629   2.981   3.019
   39   1HD2  LEU   6          HD21      LEU   6   9.105   0.642   1.516
   40   2HD2  LEU   6          HD22      LEU   6   8.012   0.751   2.895
   41   3HD2  LEU   6          HD23      LEU   6   8.248   2.149   1.844
   42    H    GLU   7           HN       GLU   7  12.659   2.209   6.743
   43    HA   GLU   7           HA       GLU   7  12.047   2.865   8.831
   44   1HB   GLU   7          HB2       GLU   7   9.381   2.864   7.446
   45   2HB   GLU   7          HB3       GLU   7   9.535   3.315   9.136
   46   1HG   GLU   7          HG2       GLU   7  11.052   4.642   6.907
   47   2HG   GLU   7          HG3       GLU   7   9.500   5.212   7.517
   48    H    GLY   8           HN       GLY   8   9.075   1.017   8.288
   49   1HA   GLY   8          HA1       GLY   8   9.942  -1.351   9.588
   50   2HA   GLY   8          HA2       GLY   8   9.124  -0.301  10.734
   51    H    GLY   9           HN       GLY   9   7.295  -1.469  11.080
   52   1HA   GLY   9          HA1       GLY   9   5.787  -2.551   8.853
   53   2HA   GLY   9          HA2       GLY   9   5.377  -2.686  10.556
   54    H    LYS  10           HN       LYS  10   5.781   0.326  10.747
   55    HA   LYS  10           HA       LYS  10   3.093   1.069  10.567
   56   1HB   LYS  10          HB2       LYS  10   4.647   2.213  12.042
   57   2HB   LYS  10          HB3       LYS  10   5.563   2.807  10.664
   58   1HG   LYS  10          HG2       LYS  10   3.696   4.171   9.961
   59   2HG   LYS  10          HG3       LYS  10   2.698   3.520  11.264
   60   1HD   LYS  10          HD2       LYS  10   5.273   5.022  11.720
   61   2HD   LYS  10          HD3       LYS  10   3.684   5.788  11.705
   62   1HE   LYS  10          HE2       LYS  10   2.974   4.344  13.550
   63   2HE   LYS  10          HE3       LYS  10   4.561   3.577  13.562
   64   1HZ   LYS  10          HZ1       LYS  10   4.361   5.281  15.272
   65   2HZ   LYS  10          HZ2       LYS  10   4.044   6.452  14.095
   66   3HZ   LYS  10          HZ3       LYS  10   5.553   5.691  14.143
   67    HA   PRO  11           HA       PRO  11   4.256   3.414   6.462
   68   1HB   PRO  11          HB2       PRO  11   6.360   2.434   5.059
   69   2HB   PRO  11          HB3       PRO  11   6.534   3.722   6.264
   70   1HG   PRO  11          HG2       PRO  11   7.008   0.774   6.571
   71   2HG   PRO  11          HG3       PRO  11   8.032   2.125   7.082
   72   1HD   PRO  11          HD2       PRO  11   6.437   0.861   8.817
   73   2HD   PRO  11          HD3       PRO  11   6.688   2.616   8.914
   74    H    LEU  12           HN       LEU  12   5.443   0.057   6.222
   75    HA   LEU  12           HA       LEU  12   4.351  -0.622   3.791
   76   1HB   LEU  12          HB2       LEU  12   5.904  -1.976   5.270
   77   2HB   LEU  12          HB3       LEU  12   4.477  -2.505   6.137
   78    HG   LEU  12           HG       LEU  12   3.598  -3.403   3.950
   79   1HD1  LEU  12          HD11      LEU  12   6.424  -2.825   3.074
   80   2HD1  LEU  12          HD12      LEU  12   5.268  -3.818   2.188
   81   3HD1  LEU  12          HD13      LEU  12   4.952  -2.100   2.429
   82   1HD2  LEU  12          HD21      LEU  12   4.522  -4.893   5.595
   83   2HD2  LEU  12          HD22      LEU  12   5.076  -5.392   3.997
   84   3HD2  LEU  12          HD23      LEU  12   6.165  -4.516   5.074
   85    H    SER  13           HN       SER  13   2.763  -0.389   6.898
   86    HA   SER  13           HA       SER  13   0.369  -1.726   6.111
   87   1HB   SER  13          HB2       SER  13   0.985  -1.553   8.464
   88   2HB   SER  13          HB3       SER  13   0.888   0.207   8.382
   89    HG   SER  13           HG       SER  13  -1.313   0.056   8.078
   90    H    GLY  14           HN       GLY  14   1.076   1.720   6.711
   91   1HA   GLY  14          HA1       GLY  14  -1.308   2.472   5.205
   92   2HA   GLY  14          HA2       GLY  14  -0.254   3.559   6.103
   93    H    LEU  15           HN       LEU  15   1.000   1.199   3.895
   94    HA   LEU  15           HA       LEU  15   2.441   3.141   2.406
   95   1HB   LEU  15          HB2       LEU  15   2.696   0.478   2.840
   96   2HB   LEU  15          HB3       LEU  15   2.044   0.475   1.216
   97    HG   LEU  15           HG       LEU  15   4.416   0.379   1.036
   98   1HD1  LEU  15          HD11      LEU  15   3.472   3.182   0.460
   99   2HD1  LEU  15          HD12      LEU  15   4.928   2.435  -0.197
  100   3HD1  LEU  15          HD13      LEU  15   3.342   1.787  -0.611
  101   1HD2  LEU  15          HD21      LEU  15   5.857   2.173   1.990
  102   2HD2  LEU  15          HD22      LEU  15   4.455   2.752   2.888
  103   3HD2  LEU  15          HD23      LEU  15   5.096   1.139   3.198
  104    H    LEU  16           HN       LEU  16  -0.123   0.866   1.410
  105    HA   LEU  16           HA       LEU  16  -0.507   1.957  -1.131
  106   1HB   LEU  16          HB2       LEU  16  -2.661   0.659   0.546
  107   2HB   LEU  16          HB3       LEU  16  -2.605   0.764  -1.202
  108    HG   LEU  16           HG       LEU  16  -2.027  -1.435  -0.829
  109   1HD1  LEU  16          HD11      LEU  16   0.655  -0.056  -0.784
  110   2HD1  LEU  16          HD12      LEU  16   0.328  -1.705  -1.316
  111   3HD1  LEU  16          HD13      LEU  16  -0.325  -0.340  -2.222
  112   1HD2  LEU  16          HD21      LEU  16  -0.017  -0.948   1.299
  113   2HD2  LEU  16          HD22      LEU  16  -1.725  -0.840   1.727
  114   3HD2  LEU  16          HD23      LEU  16  -1.083  -2.328   1.035
  115    H    ASN  17           HN       ASN  17  -1.413   3.053   1.970
  116    HA   ASN  17           HA       ASN  17  -3.576   4.749   1.252
  117   1HB   ASN  17          HB2       ASN  17  -3.400   4.157   3.540
  118   2HB   ASN  17          HB3       ASN  17  -1.702   4.623   3.612
  119   1HD2  ASN  17          HD21      ASN  17  -1.161   6.788   3.805
  120   2HD2  ASN  17          HD22      ASN  17  -2.315   7.993   4.254
  121    H    ALA  18           HN       ALA  18  -0.109   5.236   1.712
  122    HA   ALA  18           HA       ALA  18  -0.118   8.031   1.087
  123   1HB   ALA  18          HB1       ALA  18   2.365   7.669   0.924
  124   2HB   ALA  18          HB2       ALA  18   1.629   7.212   2.457
  125   3HB   ALA  18          HB3       ALA  18   2.067   5.969   1.288
  126    H    LEU  19           HN       LEU  19   1.107   5.167  -0.675
  127    HA   LEU  19           HA       LEU  19   1.774   6.477  -3.037
  128   1HB   LEU  19          HB2       LEU  19   1.932   4.323  -4.054
  129   2HB   LEU  19          HB3       LEU  19   2.536   4.236  -2.414
  130    HG   LEU  19           HG       LEU  19   0.181   3.350  -1.832
  131   1HD1  LEU  19          HD11      LEU  19  -0.766   1.989  -3.678
  132   2HD1  LEU  19          HD12      LEU  19  -0.930   3.726  -3.928
  133   3HD1  LEU  19          HD13      LEU  19   0.312   2.824  -4.791
  134   1HD2  LEU  19          HD21      LEU  19   1.078   1.053  -2.817
  135   2HD2  LEU  19          HD22      LEU  19   2.527   2.031  -3.048
  136   3HD2  LEU  19          HD23      LEU  19   1.832   1.853  -1.437
  137    H    ALA  20           HN       ALA  20  -1.258   6.292  -1.811
  138    HA   ALA  20           HA       ALA  20  -3.009   5.493  -3.729
  139   1HB   ALA  20          HB1       ALA  20  -4.566   7.183  -2.900
  140   2HB   ALA  20          HB2       ALA  20  -3.700   6.407  -1.573
  141   3HB   ALA  20          HB3       ALA  20  -3.235   8.024  -2.102
  142    H    GLN  21           HN       GLN  21  -2.056   8.925  -3.495
  143    HA   GLN  21           HA       GLN  21  -1.902  10.570  -5.057
  144   1HB   GLN  21          HB2       GLN  21  -0.976   8.292  -6.820
  145   2HB   GLN  21          HB3       GLN  21  -0.744  10.003  -7.153
  146   1HG   GLN  21          HG2       GLN  21   0.633  10.200  -5.137
  147   2HG   GLN  21          HG3       GLN  21   0.417   8.477  -4.833
  148   1HE2  GLN  21          HE21      GLN  21   2.883   9.946  -5.268
  149   2HE2  GLN  21          HE22      GLN  21   3.633   9.238  -6.653
  150    H    ASP  22           HN       ASP  22  -2.627   8.133  -7.490
  151    HA   ASP  22           HA       ASP  22  -5.234   9.432  -7.934
  152   1HB   ASP  22          HB2       ASP  22  -3.451   8.148 -10.017
  153   2HB   ASP  22          HB3       ASP  22  -4.988   8.957 -10.313
  154    H    THR  23           HN       THR  23  -6.464   8.001  -6.760
  155    HA   THR  23           HA       THR  23  -6.209   5.150  -7.239
  156    HB   THR  23           HB       THR  23  -6.596   5.578  -4.977
  157    HG1  THR  23           HG1      THR  23  -9.129   5.044  -4.988
  158   1HG2  THR  23          HG21      THR  23  -8.607   7.569  -5.951
  159   2HG2  THR  23          HG22      THR  23  -7.267   7.795  -4.825
  160   3HG2  THR  23          HG23      THR  23  -8.710   6.920  -4.315
  161    H    PHE  24           HN       PHE  24  -8.643   7.695  -7.726
  162    HA   PHE  24           HA       PHE  24 -10.171   5.805  -9.379
  163   1HB   PHE  24          HB2       PHE  24 -12.078   7.311  -9.113
  164   2HB   PHE  24          HB3       PHE  24 -11.439   6.835  -7.545
  165    HD1  PHE  24           HD1      PHE  24 -10.172   8.449  -6.185
  166    HD2  PHE  24           HD2      PHE  24 -12.048   9.578  -9.834
  167    HE1  PHE  24           HE1      PHE  24  -9.983  10.818  -5.545
  168    HE2  PHE  24           HE2      PHE  24 -11.860  11.948  -9.202
  169    HZ   PHE  24           HZ       PHE  24 -10.827  12.571  -7.056
  170    H    HIS  25           HN       HIS  25  -8.709   9.013  -9.370
  171    HA   HIS  25           HA       HIS  25  -8.157   8.945 -12.140
  172   1HB   HIS  25          HB2       HIS  25 -10.597   9.360 -12.280
  173   2HB   HIS  25          HB3       HIS  25 -10.384  10.828 -11.331
  174    HD1  HIS  25           HD1      HIS  25  -9.589  12.903 -12.549
  175    HD2  HIS  25           HD2      HIS  25  -9.537   9.496 -14.927
  176    HE1  HIS  25           HE1      HIS  25  -9.160  13.721 -14.889
  177    HE2  HIS  25           HE2      HIS  25  -9.207  11.649 -16.320
  178    H    GLY  26           HN       GLY  26  -8.897  11.197  -9.479
  179   1HA   GLY  26          HA1       GLY  26  -6.319  12.528 -10.043
  180   2HA   GLY  26          HA2       GLY  26  -7.761  13.431  -9.601
  181    H    TYR  27           HN       TYR  27  -5.950  14.134  -8.008
  182    HA   TYR  27           HA       TYR  27  -5.955  12.341  -5.682
  183   1HB   TYR  27          HB2       TYR  27  -4.026  13.731  -4.880
  184   2HB   TYR  27          HB3       TYR  27  -3.716  12.833  -6.359
  185    HD1  TYR  27           HD1      TYR  27  -3.871  14.096  -8.576
  186    HD2  TYR  27           HD2      TYR  27  -3.710  16.054  -4.799
  187    HE1  TYR  27           HE1      TYR  27  -3.148  16.167  -9.685
  188    HE2  TYR  27           HE2      TYR  27  -2.990  18.130  -5.902
  189    HH   TYR  27           HH       TYR  27  -1.882  18.812  -7.998
  190    HA   PRO  28           HA       PRO  28  -8.943  15.333  -4.070
  191   1HB   PRO  28          HB2       PRO  28  -8.798  13.576  -1.699
  192   2HB   PRO  28          HB3       PRO  28 -10.201  14.052  -2.660
  193   1HG   PRO  28          HG2       PRO  28  -9.210  11.571  -2.792
  194   2HG   PRO  28          HG3       PRO  28  -9.860  12.384  -4.229
  195   1HD   PRO  28          HD2       PRO  28  -7.008  11.986  -3.402
  196   2HD   PRO  28          HD3       PRO  28  -7.744  11.843  -5.013
  197    H    GLY  29           HN       GLY  29  -6.633  13.866  -1.778
  198   1HA   GLY  29          HA1       GLY  29  -5.583  16.517  -1.143
  199   2HA   GLY  29          HA2       GLY  29  -6.350  15.635   0.172
  200    H    ILE  30           HN       ILE  30  -4.568  14.022  -2.350
  201    HA   ILE  30           HA       ILE  30  -2.457  13.394  -0.394
  202    HB   ILE  30           HB       ILE  30  -3.814  11.438  -0.915
  203   1HG1  ILE  30          HG12      ILE  30  -1.949   9.985  -1.934
  204   2HG1  ILE  30          HG13      ILE  30  -1.003  11.468  -1.993
  205   1HG2  ILE  30          HG21      ILE  30  -4.573  12.182  -3.144
  206   2HG2  ILE  30          HG22      ILE  30  -2.978  11.791  -3.786
  207   3HG2  ILE  30          HG23      ILE  30  -4.000  10.514  -3.126
  208   1HD1  ILE  30          HD11      ILE  30  -0.616  10.009   0.008
  209   2HD1  ILE  30          HD12      ILE  30  -1.041  11.686   0.365
  210   3HD1  ILE  30          HD13      ILE  30  -2.252  10.414   0.526
  211    H    THR  31           HN       THR  31  -0.592  14.337  -0.862
  212    HA   THR  31           HA       THR  31   0.029  14.967  -3.665
  213    HB   THR  31           HB       THR  31   1.385  16.046  -1.187
  214    HG1  THR  31           HG1      THR  31  -0.897  16.865  -2.601
  215   1HG2  THR  31          HG21      THR  31   2.784  16.198  -3.157
  216   2HG2  THR  31          HG22      THR  31   2.176  17.802  -2.747
  217   3HG2  THR  31          HG23      THR  31   1.456  16.901  -4.082
  218    H    GLU  32           HN       GLU  32   2.206  14.612  -4.442
  219    HA   GLU  32           HA       GLU  32   3.158  12.029  -3.880
  220   1HB   GLU  32          HB2       GLU  32   4.574  14.290  -5.301
  221   2HB   GLU  32          HB3       GLU  32   5.022  12.591  -5.376
  222   1HG   GLU  32          HG2       GLU  32   2.914  12.062  -6.457
  223   2HG   GLU  32          HG3       GLU  32   2.415  13.749  -6.339
  224    H    GLU  33           HN       GLU  33   4.510  15.213  -3.026
  225    HA   GLU  33           HA       GLU  33   6.698  14.097  -1.565
  226   1HB   GLU  33          HB2       GLU  33   7.122  16.388  -0.832
  227   2HB   GLU  33          HB3       GLU  33   6.819  16.338  -2.563
  228   1HG   GLU  33          HG2       GLU  33   4.547  17.119  -2.206
  229   2HG   GLU  33          HG3       GLU  33   4.811  17.124  -0.462
  230    H    LEU  34           HN       LEU  34   3.418  14.531  -0.908
  231    HA   LEU  34           HA       LEU  34   3.656  14.847   1.950
  232   1HB   LEU  34          HB2       LEU  34   1.745  15.706   0.505
  233   2HB   LEU  34          HB3       LEU  34   1.216  14.037   0.371
  234    HG   LEU  34           HG       LEU  34   0.033  15.497   2.088
  235   1HD1  LEU  34          HD11      LEU  34  -0.024  13.005   1.967
  236   2HD1  LEU  34          HD12      LEU  34   1.280  12.975   3.152
  237   3HD1  LEU  34          HD13      LEU  34  -0.283  13.671   3.581
  238   1HD2  LEU  34          HD21      LEU  34   1.098  15.743   4.256
  239   2HD2  LEU  34          HD22      LEU  34   2.579  15.014   3.634
  240   3HD2  LEU  34          HD23      LEU  34   2.035  16.574   3.015
  241    H    LEU  35           HN       LEU  35   2.261  12.353  -0.140
  242    HA   LEU  35           HA       LEU  35   1.808  10.393   1.699
  243   1HB   LEU  35          HB2       LEU  35   1.535   8.980  -0.099
  244   2HB   LEU  35          HB3       LEU  35   1.223  10.551  -0.778
  245    HG   LEU  35           HG       LEU  35   3.809  10.363  -1.398
  246   1HD1  LEU  35          HD11      LEU  35   4.154   7.985  -2.207
  247   2HD1  LEU  35          HD12      LEU  35   4.307   8.254  -0.472
  248   3HD1  LEU  35          HD13      LEU  35   2.838   7.533  -1.126
  249   1HD2  LEU  35          HD21      LEU  35   1.939  10.764  -2.934
  250   2HD2  LEU  35          HD22      LEU  35   3.114   9.632  -3.605
  251   3HD2  LEU  35          HD23      LEU  35   1.591   9.036  -2.947
  252    H    ARG  36           HN       ARG  36   4.843  11.175   0.083
  253    HA   ARG  36           HA       ARG  36   6.279   8.881   0.868
  254   1HB   ARG  36          HB2       ARG  36   6.857  10.870  -0.787
  255   2HB   ARG  36          HB3       ARG  36   7.655  11.519   0.640
  256   1HG   ARG  36          HG2       ARG  36   9.420  10.324   0.028
  257   2HG   ARG  36          HG3       ARG  36   8.518   8.900   0.561
  258   1HD   ARG  36          HD2       ARG  36   8.107   9.999  -2.186
  259   2HD   ARG  36          HD3       ARG  36   9.509   8.989  -1.849
  260    HE   ARG  36           HE       ARG  36   7.892   7.258  -1.136
  261   1HH1  ARG  36          HH12      ARG  36   6.843   9.826  -3.245
  262   2HH1  ARG  36          HH11      ARG  36   5.560   8.897  -3.948
  263   1HH2  ARG  36          HH22      ARG  36   6.214   6.027  -2.061
  264   2HH2  ARG  36          HH21      ARG  36   5.200   6.740  -3.271
  265    H    SER  37           HN       SER  37   6.248  12.151   2.251
  266    HA   SER  37           HA       SER  37   7.760  11.435   4.540
  267   1HB   SER  37          HB2       SER  37   5.990  13.838   4.034
  268   2HB   SER  37          HB3       SER  37   7.122  13.678   5.378
  269    HG   SER  37           HG       SER  37   7.625  14.058   2.651
  270    H    GLN  38           HN       GLN  38   4.470  11.096   3.689
  271    HA   GLN  38           HA       GLN  38   3.129  11.377   6.096
  272   1HB   GLN  38          HB2       GLN  38   2.452  10.624   3.562
  273   2HB   GLN  38          HB3       GLN  38   2.245   9.117   4.441
  274   1HG   GLN  38          HG2       GLN  38   0.750  10.248   6.014
  275   2HG   GLN  38          HG3       GLN  38   0.950  11.747   5.108
  276   1HE2  GLN  38          HE21      GLN  38   0.759   8.616   3.583
  277   2HE2  GLN  38          HE22      GLN  38  -0.789   8.848   2.853
  278    H    LEU  39           HN       LEU  39   4.946   8.596   4.862
  279    HA   LEU  39           HA       LEU  39   4.851   7.468   7.570
  280   1HB   LEU  39          HB2       LEU  39   4.505   5.826   5.065
  281   2HB   LEU  39          HB3       LEU  39   4.519   5.226   6.711
  282    HG   LEU  39           HG       LEU  39   2.482   7.029   6.837
  283   1HD1  LEU  39          HD11      LEU  39   2.263   5.730   4.127
  284   2HD1  LEU  39          HD12      LEU  39   1.098   6.811   4.889
  285   3HD1  LEU  39          HD13      LEU  39   2.673   7.425   4.388
  286   1HD2  LEU  39          HD21      LEU  39   1.012   5.101   6.793
  287   2HD2  LEU  39          HD22      LEU  39   2.266   4.137   6.014
  288   3HD2  LEU  39          HD23      LEU  39   2.497   4.718   7.663
  289    H    TYR  40           HN       TYR  40   6.471   7.540   4.424
  290    HA   TYR  40           HA       TYR  40   8.910   6.576   5.764
  291   1HB   TYR  40          HB2       TYR  40   9.521   6.183   3.169
  292   2HB   TYR  40          HB3       TYR  40   8.768   4.962   4.183
  293    HD1  TYR  40           HD1      TYR  40   6.175   4.862   4.143
  294    HD2  TYR  40           HD2      TYR  40   8.512   6.827   1.182
  295    HE1  TYR  40           HE1      TYR  40   4.298   4.704   2.565
  296    HE2  TYR  40           HE2      TYR  40   6.638   6.674  -0.400
  297    HH   TYR  40           HH       TYR  40   3.485   5.769   0.557
  298    HA   PRO  41           HA       PRO  41   9.816  10.927   4.524
  299   1HB   PRO  41          HB2       PRO  41  11.137  11.602   6.780
  300   2HB   PRO  41          HB3       PRO  41   9.373  11.654   6.674
  301   1HG   PRO  41          HG2       PRO  41  11.137   9.543   7.858
  302   2HG   PRO  41          HG3       PRO  41   9.640  10.240   8.506
  303   1HD   PRO  41          HD2       PRO  41   9.714   7.846   7.229
  304   2HD   PRO  41          HD3       PRO  41   8.301   8.920   7.182
  305    H    GLU  42           HN       GLU  42  11.554   8.127   5.306
  306    HA   GLU  42           HA       GLU  42  14.194   9.214   4.939
  307   1HB   GLU  42          HB2       GLU  42  14.942   6.881   5.059
  308   2HB   GLU  42          HB3       GLU  42  13.860   7.274   6.387
  309   1HG   GLU  42          HG2       GLU  42  12.055   6.103   5.358
  310   2HG   GLU  42          HG3       GLU  42  12.981   5.874   3.876
  311    H    VAL  43           HN       VAL  43  11.781   7.586   2.978
  312    HA   VAL  43           HA       VAL  43  13.594   7.301   0.740
  313    HB   VAL  43           HB       VAL  43  10.845   6.394   1.365
  314   1HG1  VAL  43          HG11      VAL  43  10.359   7.624  -0.653
  315   2HG1  VAL  43          HG12      VAL  43  11.738   6.895  -1.474
  316   3HG1  VAL  43          HG13      VAL  43  10.357   5.900  -1.011
  317   1HG2  VAL  43          HG21      VAL  43  11.691   4.367   0.246
  318   2HG2  VAL  43          HG22      VAL  43  13.194   5.224  -0.098
  319   3HG2  VAL  43          HG23      VAL  43  12.722   4.908   1.571
  320    HA   PRO  44           HA       PRO  44  12.299  11.156  -0.966
  321   1HB   PRO  44          HB2       PRO  44  13.776  11.128  -3.204
  322   2HB   PRO  44          HB3       PRO  44  14.509  11.272  -1.604
  323   1HG   PRO  44          HG2       PRO  44  14.452   8.967  -3.449
  324   2HG   PRO  44          HG3       PRO  44  15.633   9.376  -2.195
  325   1HD   PRO  44          HD2       PRO  44  13.468   7.516  -2.028
  326   2HD   PRO  44          HD3       PRO  44  14.606   7.974  -0.748
  327    HA   PRO  45           HA       PRO  45   8.987  10.289  -3.819
  328   1HB   PRO  45          HB2       PRO  45   9.190  13.101  -4.671
  329   2HB   PRO  45          HB3       PRO  45   7.863  12.269  -3.856
  330   1HG   PRO  45          HG2       PRO  45   9.352  14.070  -2.559
  331   2HG   PRO  45          HG3       PRO  45   8.769  12.603  -1.739
  332   1HD   PRO  45          HD2       PRO  45  11.474  13.155  -2.928
  333   2HD   PRO  45          HD3       PRO  45  11.065  12.452  -1.346
  334    H    GLU  46           HN       GLU  46  11.904  10.141  -4.701
  335    HA   GLU  46           HA       GLU  46  11.364  10.338  -7.579
  336   1HB   GLU  46          HB2       GLU  46  12.795  12.218  -6.931
  337   2HB   GLU  46          HB3       GLU  46  13.938  11.107  -6.189
  338   1HG   GLU  46          HG2       GLU  46  14.439  10.135  -8.348
  339   2HG   GLU  46          HG3       GLU  46  13.236  11.170  -9.115
  340    H    GLU  47           HN       GLU  47  12.861   8.674  -4.913
  341    HA   GLU  47           HA       GLU  47  13.646   6.493  -6.737
  342   1HB   GLU  47          HB2       GLU  47  14.858   7.330  -4.102
  343   2HB   GLU  47          HB3       GLU  47  15.275   5.845  -4.943
  344   1HG   GLU  47          HG2       GLU  47  16.094   7.124  -6.837
  345   2HG   GLU  47          HG3       GLU  47  15.624   8.625  -6.041
  346    H    PHE  48           HN       PHE  48  11.065   7.071  -5.250
  347    HA   PHE  48           HA       PHE  48  10.880   5.006  -3.258
  348   1HB   PHE  48          HB2       PHE  48   8.506   5.593  -3.174
  349   2HB   PHE  48          HB3       PHE  48   9.510   7.039  -3.110
  350    HD1  PHE  48           HD1      PHE  48   9.661   8.525  -5.063
  351    HD2  PHE  48           HD2      PHE  48   7.028   5.183  -4.995
  352    HE1  PHE  48           HE1      PHE  48   8.425   9.465  -6.971
  353    HE2  PHE  48           HE2      PHE  48   5.788   6.115  -6.905
  354    HZ   PHE  48           HZ       PHE  48   6.486   8.260  -7.895
  355    H    ARG  49           HN       ARG  49  10.243   5.287  -6.669
  356    HA   ARG  49           HA       ARG  49   8.462   3.191  -7.041
  357   1HB   ARG  49          HB2       ARG  49   9.381   4.958  -8.711
  358   2HB   ARG  49          HB3       ARG  49  10.600   3.739  -9.057
  359   1HG   ARG  49          HG2       ARG  49   8.872   3.477 -10.657
  360   2HG   ARG  49          HG3       ARG  49   8.740   2.133  -9.519
  361   1HD   ARG  49          HD2       ARG  49   6.998   3.444  -8.295
  362   2HD   ARG  49          HD3       ARG  49   7.056   4.630  -9.599
  363    HE   ARG  49           HE       ARG  49   6.574   1.957 -10.521
  364   1HH1  ARG  49          HH12      ARG  49   5.090   4.833  -9.230
  365   2HH1  ARG  49          HH11      ARG  49   3.539   4.499  -9.923
  366   1HH2  ARG  49          HH22      ARG  49   4.537   1.510 -11.442
  367   2HH2  ARG  49          HH21      ARG  49   3.225   2.612 -11.184
  368    HA   PRO  50           HA       PRO  50  12.403   0.311  -7.912
  369   1HB   PRO  50          HB2       PRO  50  14.309   0.952  -5.935
  370   2HB   PRO  50          HB3       PRO  50  14.473   1.187  -7.676
  371   1HG   PRO  50          HG2       PRO  50  13.721   3.132  -5.566
  372   2HG   PRO  50          HG3       PRO  50  14.598   3.398  -7.082
  373   1HD   PRO  50          HD2       PRO  50  12.043   4.161  -6.780
  374   2HD   PRO  50          HD3       PRO  50  12.648   3.538  -8.329
  375    H    PHE  51           HN       PHE  51  11.564   1.669  -4.755
  376    HA   PHE  51           HA       PHE  51  11.788  -0.864  -3.428
  377   1HB   PHE  51          HB2       PHE  51  11.755   1.699  -2.522
  378   2HB   PHE  51          HB3       PHE  51  10.094   1.216  -2.189
  379    HD1  PHE  51           HD1      PHE  51   9.691  -0.843  -0.807
  380    HD2  PHE  51           HD2      PHE  51  13.519   0.987  -1.152
  381    HE1  PHE  51           HE1      PHE  51  10.419  -1.994   1.240
  382    HE2  PHE  51           HE2      PHE  51  14.255  -0.164   0.895
  383    HZ   PHE  51           HZ       PHE  51  12.747  -1.695   2.057
  384    H    LEU  52           HN       LEU  52   9.180   1.095  -4.783
  385    HA   LEU  52           HA       LEU  52   7.056  -0.545  -3.920
  386   1HB   LEU  52          HB2       LEU  52   7.333   1.450  -6.147
  387   2HB   LEU  52          HB3       LEU  52   5.863   0.526  -5.943
  388    HG   LEU  52           HG       LEU  52   7.046   2.505  -3.998
  389   1HD1  LEU  52          HD11      LEU  52   4.461   2.492  -5.551
  390   2HD1  LEU  52          HD12      LEU  52   4.980   3.731  -4.407
  391   3HD1  LEU  52          HD13      LEU  52   5.875   3.485  -5.907
  392   1HD2  LEU  52          HD21      LEU  52   5.067   2.054  -2.615
  393   2HD2  LEU  52          HD22      LEU  52   4.623   0.737  -3.701
  394   3HD2  LEU  52          HD23      LEU  52   6.112   0.640  -2.762
  395    H    ALA  53           HN       ALA  53   9.505  -1.118  -6.171
  396    HA   ALA  53           HA       ALA  53   8.292  -2.518  -8.216
  397   1HB   ALA  53          HB1       ALA  53  10.706  -2.071  -8.116
  398   2HB   ALA  53          HB2       ALA  53  10.869  -3.265  -6.829
  399   3HB   ALA  53          HB3       ALA  53  10.370  -3.770  -8.443
  400    H    LYS  54           HN       LYS  54   8.566  -3.300  -4.892
  401    HA   LYS  54           HA       LYS  54   7.419  -5.968  -5.365
  402   1HB   LYS  54          HB2       LYS  54   8.995  -4.929  -3.003
  403   2HB   LYS  54          HB3       LYS  54   8.246  -6.520  -3.079
  404   1HG   LYS  54          HG2       LYS  54   9.663  -7.087  -4.994
  405   2HG   LYS  54          HG3       LYS  54  10.422  -5.497  -4.894
  406   1HD   LYS  54          HD2       LYS  54  10.423  -7.514  -2.652
  407   2HD   LYS  54          HD3       LYS  54  11.729  -7.344  -3.826
  408   1HE   LYS  54          HE2       LYS  54  12.078  -5.037  -3.119
  409   2HE   LYS  54          HE3       LYS  54  10.746  -5.175  -1.972
  410   1HZ   LYS  54          HZ1       LYS  54  13.240  -6.785  -1.898
  411   2HZ   LYS  54          HZ2       LYS  54  11.974  -6.861  -0.779
  412   3HZ   LYS  54          HZ3       LYS  54  12.907  -5.455  -0.907
  413    H    MET  55           HN       MET  55   6.743  -2.862  -4.331
  414    HA   MET  55           HA       MET  55   4.379  -3.761  -2.808
  415   1HB   MET  55          HB2       MET  55   6.018  -1.242  -2.446
  416   2HB   MET  55          HB3       MET  55   4.514  -1.590  -1.600
  417   1HG   MET  55          HG2       MET  55   6.179  -2.142  -0.073
  418   2HG   MET  55          HG3       MET  55   5.682  -3.692  -0.745
  419   1HE   MET  55          HE1       MET  55   9.513  -4.203  -0.105
  420   2HE   MET  55          HE2       MET  55   8.335  -3.344   0.888
  421   3HE   MET  55          HE3       MET  55   7.903  -4.881   0.140
  422    H    ARG  56           HN       ARG  56   4.810  -3.131  -5.744
  423    HA   ARG  56           HA       ARG  56   2.982  -0.847  -6.026
  424   1HB   ARG  56          HB2       ARG  56   3.707  -0.683  -8.320
  425   2HB   ARG  56          HB3       ARG  56   5.122  -0.748  -7.278
  426   1HG   ARG  56          HG2       ARG  56   5.195  -3.233  -7.782
  427   2HG   ARG  56          HG3       ARG  56   4.021  -2.896  -9.057
  428   1HD   ARG  56          HD2       ARG  56   6.672  -1.504  -8.790
  429   2HD   ARG  56          HD3       ARG  56   6.408  -2.919  -9.809
  430    HE   ARG  56           HE       ARG  56   4.615  -0.717 -10.323
  431   1HH1  ARG  56          HH12      ARG  56   7.672  -2.197 -11.100
  432   2HH1  ARG  56          HH11      ARG  56   7.796  -1.430 -12.649
  433   1HH2  ARG  56          HH22      ARG  56   4.769   0.295 -12.362
  434   2HH2  ARG  56          HH21      ARG  56   6.144  -0.018 -13.368
  435    H    GLY  57           HN       GLY  57   3.287  -4.270  -6.563
  436   1HA   GLY  57          HA1       GLY  57   1.307  -4.759  -8.434
  437   2HA   GLY  57          HA2       GLY  57   1.680  -5.837  -7.090
  438    H    ILE  58           HN       ILE  58   1.052  -3.737  -5.144
  439    HA   ILE  58           HA       ILE  58  -1.776  -4.252  -4.923
  440    HB   ILE  58           HB       ILE  58  -0.139  -2.534  -3.079
  441   1HG1  ILE  58          HG12      ILE  58  -0.213  -5.008  -1.902
  442   2HG1  ILE  58          HG13      ILE  58   0.030  -5.422  -3.593
  443   1HG2  ILE  58          HG21      ILE  58  -1.751  -3.325  -1.412
  444   2HG2  ILE  58          HG22      ILE  58  -2.551  -2.503  -2.752
  445   3HG2  ILE  58          HG23      ILE  58  -2.571  -4.265  -2.658
  446   1HD1  ILE  58          HD11      ILE  58   1.762  -3.540  -2.007
  447   2HD1  ILE  58          HD12      ILE  58   2.140  -5.222  -2.374
  448   3HD1  ILE  58          HD13      ILE  58   2.018  -4.042  -3.678
  449    H    LEU  59           HN       LEU  59   0.356  -1.579  -5.669
  450    HA   LEU  59           HA       LEU  59  -1.446   0.558  -5.429
  451   1HB   LEU  59          HB2       LEU  59   0.930   0.936  -5.686
  452   2HB   LEU  59          HB3       LEU  59   0.935   0.154  -7.251
  453    HG   LEU  59           HG       LEU  59  -0.695   2.637  -6.831
  454   1HD1  LEU  59          HD11      LEU  59   1.219   3.980  -7.529
  455   2HD1  LEU  59          HD12      LEU  59   1.539   3.169  -5.997
  456   3HD1  LEU  59          HD13      LEU  59   2.247   2.549  -7.488
  457   1HD2  LEU  59          HD21      LEU  59  -0.011   2.928  -9.250
  458   2HD2  LEU  59          HD22      LEU  59   0.624   1.286  -9.175
  459   3HD2  LEU  59          HD23      LEU  59  -1.096   1.581  -8.911
  460    H    LYS  60           HN       LYS  60  -0.622  -1.489  -8.197
  461    HA   LYS  60           HA       LYS  60  -2.495  -0.293  -9.972
  462   1HB   LYS  60          HB2       LYS  60  -0.747  -1.337 -11.082
  463   2HB   LYS  60          HB3       LYS  60  -0.745  -2.720 -10.000
  464   1HG   LYS  60          HG2       LYS  60  -3.122  -2.354 -11.729
  465   2HG   LYS  60          HG3       LYS  60  -1.617  -2.854 -12.502
  466   1HD   LYS  60          HD2       LYS  60  -1.448  -4.764 -11.028
  467   2HD   LYS  60          HD3       LYS  60  -2.872  -4.236 -10.130
  468   1HE   LYS  60          HE2       LYS  60  -3.425  -6.035 -11.682
  469   2HE   LYS  60          HE3       LYS  60  -4.248  -4.538 -12.121
  470   1HZ   LYS  60          HZ1       LYS  60  -1.755  -5.545 -13.384
  471   2HZ   LYS  60          HZ2       LYS  60  -2.611  -4.157 -13.834
  472   3HZ   LYS  60          HZ3       LYS  60  -3.306  -5.684 -14.048
  473    H    SER  61           HN       SER  61  -2.764  -2.547  -7.437
  474    HA   SER  61           HA       SER  61  -5.099  -3.904  -8.444
  475   1HB   SER  61          HB2       SER  61  -3.391  -4.911  -6.860
  476   2HB   SER  61          HB3       SER  61  -4.085  -3.892  -5.598
  477    HG   SER  61           HG       SER  61  -4.906  -6.208  -6.098
  478    H    ILE  62           HN       ILE  62  -4.452  -1.490  -5.917
  479    HA   ILE  62           HA       ILE  62  -7.268  -1.178  -5.353
  480    HB   ILE  62           HB       ILE  62  -4.885   0.347  -4.295
  481   1HG1  ILE  62          HG12      ILE  62  -6.553  -1.826  -3.001
  482   2HG1  ILE  62          HG13      ILE  62  -4.963  -2.079  -3.715
  483   1HG2  ILE  62          HG21      ILE  62  -7.769   0.351  -3.400
  484   2HG2  ILE  62          HG22      ILE  62  -6.437   1.130  -2.546
  485   3HG2  ILE  62          HG23      ILE  62  -6.902   1.689  -4.153
  486   1HD1  ILE  62          HD11      ILE  62  -5.592  -0.314  -1.359
  487   2HD1  ILE  62          HD12      ILE  62  -4.812  -1.895  -1.308
  488   3HD1  ILE  62          HD13      ILE  62  -3.998  -0.536  -2.079
  489    H    ALA  63           HN       ALA  63  -4.716   0.741  -6.901
  490    HA   ALA  63           HA       ALA  63  -6.511   2.955  -7.378
  491   1HB   ALA  63          HB1       ALA  63  -3.695   2.535  -8.357
  492   2HB   ALA  63          HB2       ALA  63  -4.609   4.042  -8.406
  493   3HB   ALA  63          HB3       ALA  63  -4.149   3.339  -6.855
  494    H    SER  64           HN       SER  64  -4.540   0.953  -9.588
  495    HA   SER  64           HA       SER  64  -5.917   1.843 -11.897
  496   1HB   SER  64          HB2       SER  64  -3.623   1.039 -12.023
  497   2HB   SER  64          HB3       SER  64  -4.136  -0.568 -11.514
  498    HG   SER  64           HG       SER  64  -5.528  -0.488 -13.454
  499    H    ALA  65           HN       ALA  65  -6.178  -1.154 -10.000
  500    HA   ALA  65           HA       ALA  65  -8.288  -2.115 -11.754
  501   1HB   ALA  65          HB1       ALA  65  -6.914  -3.335  -9.374
  502   2HB   ALA  65          HB2       ALA  65  -8.259  -4.104 -10.218
  503   3HB   ALA  65          HB3       ALA  65  -6.750  -3.782 -11.071
  504    H    ASP  66           HN       ASP  66  -7.914  -0.932  -8.447
  505    HA   ASP  66           HA       ASP  66  -9.423  -0.342  -6.847
  506   1HB   ASP  66          HB2       ASP  66 -10.020   1.332  -8.547
  507   2HB   ASP  66          HB3       ASP  66 -11.170   0.203  -9.259
  508    H    MET  67           HN       MET  67  -9.661  -2.389  -5.934
  509    HA   MET  67           HA       MET  67 -11.918  -4.012  -6.856
  510   1HB   MET  67          HB2       MET  67  -9.782  -4.673  -4.824
  511   2HB   MET  67          HB3       MET  67 -10.987  -5.779  -5.464
  512   1HG   MET  67          HG2       MET  67  -9.020  -4.399  -7.249
  513   2HG   MET  67          HG3       MET  67  -8.621  -5.895  -6.412
  514   1HE   MET  67          HE1       MET  67 -10.095  -4.301  -9.493
  515   2HE   MET  67          HE2       MET  67 -11.406  -5.364 -10.004
  516   3HE   MET  67          HE3       MET  67 -11.599  -4.350  -8.575
  517    H    ASP  68           HN       ASP  68 -12.594  -5.335  -4.542
  518    HA   ASP  68           HA       ASP  68 -13.883  -3.178  -3.029
  519   1HB   ASP  68          HB2       ASP  68 -14.650  -6.092  -3.283
  520   2HB   ASP  68          HB3       ASP  68 -15.527  -4.891  -2.340
  521    H    PHE  69           HN       PHE  69 -13.574  -6.474  -1.863
  522    HA   PHE  69           HA       PHE  69 -11.598  -5.639   0.131
  523   1HB   PHE  69          HB2       PHE  69 -14.162  -7.028   0.924
  524   2HB   PHE  69          HB3       PHE  69 -12.909  -6.405   1.992
  525    HD1  PHE  69           HD1      PHE  69 -15.872  -5.635   0.082
  526    HD2  PHE  69           HD2      PHE  69 -12.616  -3.957   2.244
  527    HE1  PHE  69           HE1      PHE  69 -17.076  -3.494   0.222
  528    HE2  PHE  69           HE2      PHE  69 -13.813  -1.811   2.389
  529    HZ   PHE  69           HZ       PHE  69 -16.045  -1.578   1.377
  530    H    ASN  70           HN       ASN  70 -13.750  -8.446  -0.287
  531    HA   ASN  70           HA       ASN  70 -11.806 -10.348   0.388
  532   1HB   ASN  70          HB2       ASN  70 -14.304 -10.685  -1.286
  533   2HB   ASN  70          HB3       ASN  70 -13.367 -12.002  -0.587
  534   1HD2  ASN  70          HD21      ASN  70 -15.560  -9.389   0.041
  535   2HD2  ASN  70          HD22      ASN  70 -15.950  -9.836   1.664
  536    H    GLN  71           HN       GLN  71 -12.327  -8.603  -2.504
  537    HA   GLN  71           HA       GLN  71 -11.233 -10.423  -4.371
  538   1HB   GLN  71          HB2       GLN  71 -11.371  -7.406  -4.427
  539   2HB   GLN  71          HB3       GLN  71 -10.941  -8.413  -5.802
  540   1HG   GLN  71          HG2       GLN  71 -13.563  -8.643  -4.355
  541   2HG   GLN  71          HG3       GLN  71 -13.310  -7.579  -5.737
  542   1HE2  GLN  71          HE21      GLN  71 -14.833  -8.691  -6.963
  543   2HE2  GLN  71          HE22      GLN  71 -14.511 -10.250  -7.632
  544    H    LEU  72           HN       LEU  72  -9.809  -7.766  -2.493
  545    HA   LEU  72           HA       LEU  72  -7.188  -8.123  -3.569
  546   1HB   LEU  72          HB2       LEU  72  -8.038  -6.721  -1.032
  547   2HB   LEU  72          HB3       LEU  72  -6.466  -6.599  -1.794
  548    HG   LEU  72           HG       LEU  72  -9.064  -5.630  -2.980
  549   1HD1  LEU  72          HD11      LEU  72  -8.300  -3.430  -2.489
  550   2HD1  LEU  72          HD12      LEU  72  -8.188  -4.375  -1.003
  551   3HD1  LEU  72          HD13      LEU  72  -6.733  -4.033  -1.941
  552   1HD2  LEU  72          HD21      LEU  72  -6.221  -5.389  -3.961
  553   2HD2  LEU  72          HD22      LEU  72  -7.507  -6.339  -4.706
  554   3HD2  LEU  72          HD23      LEU  72  -7.619  -4.579  -4.669
  555    H    GLU  73           HN       GLU  73  -8.930  -9.402  -0.818
  556    HA   GLU  73           HA       GLU  73  -6.878 -10.310   0.786
  557   1HB   GLU  73          HB2       GLU  73  -9.259 -10.466   1.383
  558   2HB   GLU  73          HB3       GLU  73  -9.476 -11.736   0.187
  559   1HG   GLU  73          HG2       GLU  73  -7.872 -13.137   1.431
  560   2HG   GLU  73          HG3       GLU  73  -7.762 -11.874   2.656
  561    H    ALA  74           HN       ALA  74  -8.112 -11.691  -2.199
  562    HA   ALA  74           HA       ALA  74  -6.489 -14.067  -1.968
  563   1HB   ALA  74          HB1       ALA  74  -8.073 -13.057  -4.327
  564   2HB   ALA  74          HB2       ALA  74  -7.392 -14.672  -4.134
  565   3HB   ALA  74          HB3       ALA  74  -8.689 -14.128  -3.068
  566    H    PHE  75           HN       PHE  75  -6.182 -10.895  -3.292
  567    HA   PHE  75           HA       PHE  75  -4.152 -11.482  -5.202
  568   1HB   PHE  75          HB2       PHE  75  -5.474  -9.460  -5.422
  569   2HB   PHE  75          HB3       PHE  75  -4.909  -8.883  -3.856
  570    HD1  PHE  75           HD1      PHE  75  -2.855  -7.754  -3.638
  571    HD2  PHE  75           HD2      PHE  75  -3.867  -9.654  -7.310
  572    HE1  PHE  75           HE1      PHE  75  -0.945  -6.650  -4.735
  573    HE2  PHE  75           HE2      PHE  75  -1.959  -8.558  -8.410
  574    HZ   PHE  75           HZ       PHE  75  -0.495  -7.055  -7.122
  575    H    LEU  76           HN       LEU  76  -4.138 -10.310  -1.873
  576    HA   LEU  76           HA       LEU  76  -1.426  -9.810  -1.564
  577   1HB   LEU  76          HB2       LEU  76  -3.562  -9.575   0.012
  578   2HB   LEU  76          HB3       LEU  76  -2.913 -11.057   0.690
  579    HG   LEU  76           HG       LEU  76  -2.168  -9.164   1.986
  580   1HD1  LEU  76          HD11      LEU  76   0.207  -9.503   1.965
  581   2HD1  LEU  76          HD12      LEU  76  -0.606 -11.042   1.692
  582   3HD1  LEU  76          HD13      LEU  76   0.134 -10.183   0.341
  583   1HD2  LEU  76          HD21      LEU  76  -2.211  -7.284   0.702
  584   2HD2  LEU  76          HD22      LEU  76  -0.479  -7.607   0.728
  585   3HD2  LEU  76          HD23      LEU  76  -1.442  -8.069  -0.675
  586    H    THR  77           HN       THR  77  -3.044 -12.805  -1.962
  587    HA   THR  77           HA       THR  77  -1.015 -14.412  -0.686
  588    HB   THR  77           HB       THR  77  -3.306 -15.272  -2.466
  589    HG1  THR  77           HG1      THR  77  -3.519 -15.857   0.183
  590   1HG2  THR  77          HG21      THR  77  -1.558 -16.959  -2.351
  591   2HG2  THR  77          HG22      THR  77  -2.962 -17.478  -1.419
  592   3HG2  THR  77          HG23      THR  77  -1.539 -16.849  -0.591
  593    H    ALA  78           HN       ALA  78  -1.773 -13.241  -3.874
  594    HA   ALA  78           HA       ALA  78  -0.049 -15.087  -5.253
  595   1HB   ALA  78          HB1       ALA  78  -1.954 -14.214  -6.426
  596   2HB   ALA  78          HB2       ALA  78  -1.412 -12.555  -6.158
  597   3HB   ALA  78          HB3       ALA  78  -0.490 -13.626  -7.213
  598    H    GLN  79           HN       GLN  79   0.229 -11.917  -3.843
  599    HA   GLN  79           HA       GLN  79   2.720 -11.301  -5.130
  600   1HB   GLN  79          HB2       GLN  79   2.772  -9.385  -3.523
  601   2HB   GLN  79          HB3       GLN  79   1.334  -9.459  -4.525
  602   1HG   GLN  79          HG2       GLN  79   0.114 -10.484  -2.652
  603   2HG   GLN  79          HG3       GLN  79   1.549 -10.292  -1.650
  604   1HE2  GLN  79          HE21      GLN  79   2.232  -8.186  -1.107
  605   2HE2  GLN  79          HE22      GLN  79   1.142  -6.848  -1.161
  606    H    THR  80           HN       THR  80   1.871 -13.373  -2.689
  607    HA   THR  80           HA       THR  80   4.479 -13.138  -1.347
  608    HB   THR  80           HB       THR  80   3.489 -14.656   0.380
  609    HG1  THR  80           HG1      THR  80   1.778 -15.374  -1.189
  610   1HG2  THR  80          HG21      THR  80   2.056 -12.946   1.409
  611   2HG2  THR  80          HG22      THR  80   1.993 -12.081  -0.127
  612   3HG2  THR  80          HG23      THR  80   3.524 -12.243   0.732
  613    H    LYS  81           HN       LYS  81   3.067 -14.715  -3.824
  614    HA   LYS  81           HA       LYS  81   4.671 -17.156  -3.421
  615   1HB   LYS  81          HB2       LYS  81   2.177 -16.865  -5.103
  616   2HB   LYS  81          HB3       LYS  81   3.071 -18.348  -4.813
  617   1HG   LYS  81          HG2       LYS  81   2.457 -18.336  -2.493
  618   2HG   LYS  81          HG3       LYS  81   1.700 -16.755  -2.660
  619   1HD   LYS  81          HD2       LYS  81   0.789 -19.381  -3.823
  620   2HD   LYS  81          HD3       LYS  81  -0.049 -18.365  -2.649
  621   1HE   LYS  81          HE2       LYS  81  -0.375 -16.648  -4.342
  622   2HE   LYS  81          HE3       LYS  81   0.511 -17.616  -5.519
  623   1HZ   LYS  81          HZ1       LYS  81  -1.186 -19.299  -5.402
  624   2HZ   LYS  81          HZ2       LYS  81  -1.906 -17.811  -5.761
  625   3HZ   LYS  81          HZ3       LYS  81  -2.015 -18.447  -4.197
  626    H    LYS  82           HN       LYS  82   4.417 -14.311  -5.117
  627    HA   LYS  82           HA       LYS  82   5.189 -15.174  -7.724
  628   1HB   LYS  82          HB2       LYS  82   5.492 -12.856  -8.237
  629   2HB   LYS  82          HB3       LYS  82   4.054 -12.998  -7.235
  630   1HG   LYS  82          HG2       LYS  82   5.159 -12.107  -5.356
  631   2HG   LYS  82          HG3       LYS  82   6.745 -12.302  -6.103
  632   1HD   LYS  82          HD2       LYS  82   6.257 -10.004  -6.270
  633   2HD   LYS  82          HD3       LYS  82   5.945 -10.665  -7.876
  634   1HE   LYS  82          HE2       LYS  82   3.538 -10.826  -7.273
  635   2HE   LYS  82          HE3       LYS  82   3.910 -10.012  -5.753
  636   1HZ   LYS  82          HZ1       LYS  82   4.747  -8.123  -7.058
  637   2HZ   LYS  82          HZ2       LYS  82   3.108  -8.425  -7.342
  638   3HZ   LYS  82          HZ3       LYS  82   4.264  -8.898  -8.483
  639    H    GLN  83           HN       GLN  83   7.276 -13.435  -8.347
  640    HA   GLN  83           HA       GLN  83   9.524 -14.781  -7.015
  641   1HB   GLN  83          HB2       GLN  83   9.619 -13.291  -9.631
  642   2HB   GLN  83          HB3       GLN  83  10.782 -14.450  -9.004
  643   1HG   GLN  83          HG2       GLN  83   9.187 -16.249  -9.283
  644   2HG   GLN  83          HG3       GLN  83   7.962 -15.103  -9.830
  645   1HE2  GLN  83          HE21      GLN  83  10.886 -16.785 -10.645
  646   2HE2  GLN  83          HE22      GLN  83  10.860 -16.435 -12.336
  647    H    GLY  84           HN       GLY  84  10.837 -13.632  -5.745
  648   1HA   GLY  84          HA1       GLY  84  11.844 -11.849  -4.709
  649   2HA   GLY  84          HA2       GLY  84  11.721 -11.020  -6.253
  650    H    GLY  85           HN       GLY  85   8.792 -12.136  -4.826
  651   1HA   GLY  85          HA1       GLY  85   7.715  -9.508  -4.681
  652   2HA   GLY  85          HA2       GLY  85   6.940 -10.980  -4.118
  653    H    ILE  86           HN       ILE  86   6.286 -10.574  -2.115
  654    HA   ILE  86           HA       ILE  86   8.191  -9.319  -0.256
  655    HB   ILE  86           HB       ILE  86   6.310  -8.577   1.053
  656   1HG1  ILE  86          HG12      ILE  86   4.547  -9.949  -0.995
  657   2HG1  ILE  86          HG13      ILE  86   4.867 -10.570   0.621
  658   1HG2  ILE  86          HG21      ILE  86   5.161  -7.149  -0.688
  659   2HG2  ILE  86          HG22      ILE  86   6.923  -7.083  -0.690
  660   3HG2  ILE  86          HG23      ILE  86   6.077  -8.045  -1.902
  661   1HD1  ILE  86          HD11      ILE  86   2.691  -9.398   0.361
  662   2HD1  ILE  86          HD12      ILE  86   3.730  -8.735   1.625
  663   3HD1  ILE  86          HD13      ILE  86   3.587  -7.907   0.074
  664    H    THR  87           HN       THR  87   7.844 -10.011   2.075
  665    HA   THR  87           HA       THR  87   7.855 -12.931   2.155
  666    HB   THR  87           HB       THR  87   8.775 -12.633   4.452
  667    HG1  THR  87           HG1      THR  87   7.951 -10.104   4.031
  668   1HG2  THR  87          HG21      THR  87  10.228 -11.176   2.241
  669   2HG2  THR  87          HG22      THR  87  10.301 -12.905   2.583
  670   3HG2  THR  87          HG23      THR  87  10.968 -11.748   3.736
  671    H    SER  88           HN       SER  88   7.102 -13.727   4.493
  672    HA   SER  88           HA       SER  88   4.290 -13.502   4.512
  673   1HB   SER  88          HB2       SER  88   6.135 -14.580   6.657
  674   2HB   SER  88          HB3       SER  88   4.394 -14.849   6.574
  675    HG   SER  88           HG       SER  88   6.186 -16.355   5.523
  676    H    ASP  89           HN       ASP  89   6.805 -12.101   6.574
  677    HA   ASP  89           HA       ASP  89   5.140 -10.871   8.454
  678   1HB   ASP  89          HB2       ASP  89   7.850  -9.990   7.433
  679   2HB   ASP  89          HB3       ASP  89   7.066  -9.359   8.879
  680    H    GLN  90           HN       GLN  90   6.079  -9.933   5.229
  681    HA   GLN  90           HA       GLN  90   5.025  -7.261   5.448
  682   1HB   GLN  90          HB2       GLN  90   6.104  -8.900   3.165
  683   2HB   GLN  90          HB3       GLN  90   5.374  -7.324   2.899
  684   1HG   GLN  90          HG2       GLN  90   7.082  -6.591   4.760
  685   2HG   GLN  90          HG3       GLN  90   7.936  -8.037   4.223
  686   1HE2  GLN  90          HE21      GLN  90   8.696  -8.142   2.090
  687   2HE2  GLN  90          HE22      GLN  90   8.920  -6.717   1.139
  688    H    ALA  91           HN       ALA  91   3.779 -10.365   4.772
  689    HA   ALA  91           HA       ALA  91   1.553  -9.474   3.178
  690   1HB   ALA  91          HB1       ALA  91   0.833 -11.763   3.202
  691   2HB   ALA  91          HB2       ALA  91   2.574 -11.718   2.926
  692   3HB   ALA  91          HB3       ALA  91   1.944 -12.143   4.518
  693    H    ALA  92           HN       ALA  92   2.228  -9.717   6.532
  694    HA   ALA  92           HA       ALA  92  -0.491 -10.068   7.393
  695   1HB   ALA  92          HB1       ALA  92   1.942  -9.205   8.944
  696   2HB   ALA  92          HB2       ALA  92   0.385  -9.657   9.638
  697   3HB   ALA  92          HB3       ALA  92   1.347 -10.855   8.773
  698    H    VAL  93           HN       VAL  93   1.667  -7.312   6.939
  699    HA   VAL  93           HA       VAL  93  -0.259  -5.500   8.124
  700    HB   VAL  93           HB       VAL  93   2.501  -5.428   7.817
  701   1HG1  VAL  93          HG11      VAL  93   1.254  -3.277   6.121
  702   2HG1  VAL  93          HG12      VAL  93   2.932  -3.308   6.657
  703   3HG1  VAL  93          HG13      VAL  93   2.332  -4.558   5.569
  704   1HG2  VAL  93          HG21      VAL  93   0.565  -3.297   8.675
  705   2HG2  VAL  93          HG22      VAL  93   1.307  -4.534   9.689
  706   3HG2  VAL  93          HG23      VAL  93   2.301  -3.260   8.982
  707    H    ILE  94           HN       ILE  94   0.823  -6.400   4.894
  708    HA   ILE  94           HA       ILE  94  -0.578  -4.214   3.641
  709    HB   ILE  94           HB       ILE  94   0.581  -6.669   2.316
  710   1HG1  ILE  94          HG12      ILE  94   1.833  -3.951   2.783
  711   2HG1  ILE  94          HG13      ILE  94   2.269  -5.428   3.634
  712   1HG2  ILE  94          HG21      ILE  94  -1.000  -5.478   0.912
  713   2HG2  ILE  94          HG22      ILE  94  -0.173  -3.954   1.234
  714   3HG2  ILE  94          HG23      ILE  94   0.641  -5.224   0.318
  715   1HD1  ILE  94          HD11      ILE  94   3.890  -4.992   1.933
  716   2HD1  ILE  94          HD12      ILE  94   2.954  -6.411   1.467
  717   3HD1  ILE  94          HD13      ILE  94   2.632  -4.853   0.705
  718    H    SER  95           HN       SER  95  -1.303  -7.537   4.453
  719    HA   SER  95           HA       SER  95  -3.499  -7.907   2.705
  720   1HB   SER  95          HB2       SER  95  -2.451  -9.797   3.854
  721   2HB   SER  95          HB3       SER  95  -2.962  -9.153   5.414
  722    HG   SER  95           HG       SER  95  -4.754  -9.854   3.331
  723    H    LYS  96           HN       LYS  96  -3.071  -5.954   5.410
  724    HA   LYS  96           HA       LYS  96  -5.836  -5.869   6.235
  725   1HB   LYS  96          HB2       LYS  96  -3.570  -4.054   7.066
  726   2HB   LYS  96          HB3       LYS  96  -5.091  -4.314   7.910
  727   1HG   LYS  96          HG2       LYS  96  -4.488  -6.473   8.570
  728   2HG   LYS  96          HG3       LYS  96  -3.147  -6.544   7.427
  729   1HD   LYS  96          HD2       LYS  96  -2.165  -6.200   9.542
  730   2HD   LYS  96          HD3       LYS  96  -2.122  -4.628   8.740
  731   1HE   LYS  96          HE2       LYS  96  -4.122  -3.944   9.962
  732   2HE   LYS  96          HE3       LYS  96  -4.188  -5.520  10.749
  733   1HZ   LYS  96          HZ1       LYS  96  -3.176  -3.836  12.168
  734   2HZ   LYS  96          HZ2       LYS  96  -1.967  -3.564  11.016
  735   3HZ   LYS  96          HZ3       LYS  96  -2.071  -5.061  11.798
  736    H    PHE  97           HN       PHE  97  -4.349  -4.721   3.603
  737    HA   PHE  97           HA       PHE  97  -4.807  -2.037   3.382
  738   1HB   PHE  97          HB2       PHE  97  -5.235  -2.544   0.881
  739   2HB   PHE  97          HB3       PHE  97  -3.669  -2.907   1.586
  740    HD1  PHE  97           HD1      PHE  97  -3.515  -4.317  -0.610
  741    HD2  PHE  97           HD2      PHE  97  -6.145  -5.212   2.614
  742    HE1  PHE  97           HE1      PHE  97  -3.735  -6.625  -1.429
  743    HE2  PHE  97           HE2      PHE  97  -6.363  -7.524   1.797
  744    HZ   PHE  97           HZ       PHE  97  -4.987  -8.210  -0.309
  745    H    TRP  98           HN       TRP  98  -7.311  -4.290   3.911
  746    HA   TRP  98           HA       TRP  98  -9.212  -2.190   3.130
  747   1HB   TRP  98          HB2       TRP  98 -10.864  -3.955   2.477
  748   2HB   TRP  98          HB3       TRP  98  -9.479  -3.808   1.404
  749    HD1  TRP  98           HD1      TRP  98  -8.266  -5.975   0.836
  750    HE1  TRP  98           HE1      TRP  98  -8.283  -8.386   1.728
  751    HE3  TRP  98           HE3      TRP  98 -11.282  -5.319   4.919
  752    HZ2  TRP  98           HZ2      TRP  98  -9.419  -9.821   3.863
  753    HZ3  TRP  98           HZ3      TRP  98 -11.787  -7.268   6.330
  754    HH2  TRP  98           HH2      TRP  98 -10.877  -9.474   5.812
  755    H    LYS  99           HN       LYS  99  -8.070  -4.141   5.591
  756    HA   LYS  99           HA       LYS  99 -10.620  -4.079   7.037
  757   1HB   LYS  99          HB2       LYS  99  -9.708  -5.650   8.562
  758   2HB   LYS  99          HB3       LYS  99  -9.232  -6.192   6.960
  759   1HG   LYS  99          HG2       LYS  99  -7.079  -6.091   7.484
  760   2HG   LYS  99          HG3       LYS  99  -7.236  -4.446   8.098
  761   1HD   LYS  99          HD2       LYS  99  -8.025  -6.904   9.657
  762   2HD   LYS  99          HD3       LYS  99  -6.446  -6.124   9.781
  763   1HE   LYS  99          HE2       LYS  99  -7.504  -4.062  10.521
  764   2HE   LYS  99          HE3       LYS  99  -9.097  -4.796  10.341
  765   1HZ   LYS  99          HZ1       LYS  99  -8.351  -4.802  12.644
  766   2HZ   LYS  99          HZ2       LYS  99  -6.988  -5.711  12.221
  767   3HZ   LYS  99          HZ3       LYS  99  -8.533  -6.381  12.063
  768    H    SER 100           HN       SER 100  -7.721  -2.370   6.731
  769    HA   SER 100           HA       SER 100  -7.718  -1.306   9.428
  770   1HB   SER 100          HB2       SER 100  -5.581  -1.700   8.291
  771   2HB   SER 100          HB3       SER 100  -6.040  -0.572   7.015
  772    HG   SER 100           HG       SER 100  -5.024  -0.074   9.494
  773    H    HIS 101           HN       HIS 101  -9.194  -0.588   6.446
  774    HA   HIS 101           HA       HIS 101  -9.899   2.101   7.424
  775   1HB   HIS 101          HB2       HIS 101  -9.564   1.235   4.546
  776   2HB   HIS 101          HB3       HIS 101 -10.059   2.835   5.086
  777    HD1  HIS 101           HD1      HIS 101  -7.087   0.704   4.550
  778    HD2  HIS 101           HD2      HIS 101  -7.977   4.365   6.304
  779    HE1  HIS 101           HE1      HIS 101  -4.872   1.847   4.879
  780    HE2  HIS 101           HE2      HIS 101  -5.438   4.078   5.908
  781    H    LYS 102           HN       LYS 102 -11.285  -0.453   7.863
  782    HA   LYS 102           HA       LYS 102 -13.885   0.366   6.799
  783   1HB   LYS 102          HB2       LYS 102 -13.065  -1.352   5.260
  784   2HB   LYS 102          HB3       LYS 102 -12.811  -2.452   6.607
  785   1HG   LYS 102          HG2       LYS 102 -15.266  -2.315   7.073
  786   2HG   LYS 102          HG3       LYS 102 -15.434  -1.410   5.567
  787   1HD   LYS 102          HD2       LYS 102 -15.936  -3.702   5.107
  788   2HD   LYS 102          HD3       LYS 102 -14.371  -3.336   4.381
  789   1HE   LYS 102          HE2       LYS 102 -14.374  -5.511   5.516
  790   2HE   LYS 102          HE3       LYS 102 -13.229  -4.386   6.245
  791   1HZ   LYS 102          HZ1       LYS 102 -15.946  -4.981   7.290
  792   2HZ   LYS 102          HZ2       LYS 102 -14.814  -3.945   8.001
  793   3HZ   LYS 102          HZ3       LYS 102 -14.502  -5.606   7.912
  794    H    THR 103           HN       THR 103 -12.204  -1.951   8.911
  795    HA   THR 103           HA       THR 103 -14.316  -2.742  10.501
  796    HB   THR 103           HB       THR 103 -12.653  -3.210  12.267
  797    HG1  THR 103           HG1      THR 103 -10.376  -2.719  11.409
  798   1HG2  THR 103          HG21      THR 103 -11.714  -3.920   9.483
  799   2HG2  THR 103          HG22      THR 103 -12.947  -4.781  10.404
  800   3HG2  THR 103          HG23      THR 103 -11.277  -4.762  10.970
  801    H    LYS 104           HN       LYS 104 -15.763  -1.373  11.333
  802    HA   LYS 104           HA       LYS 104 -16.703   0.254  12.607
  803   1HB   LYS 104          HB2       LYS 104 -14.083  -0.134  14.031
  804   2HB   LYS 104          HB3       LYS 104 -15.259   1.046  14.588
  805   1HG   LYS 104          HG2       LYS 104 -15.588  -0.919  15.861
  806   2HG   LYS 104          HG3       LYS 104 -16.931  -0.812  14.723
  807   1HD   LYS 104          HD2       LYS 104 -16.169  -3.086  14.790
  808   2HD   LYS 104          HD3       LYS 104 -15.714  -2.394  13.234
  809   1HE   LYS 104          HE2       LYS 104 -13.444  -2.047  14.027
  810   2HE   LYS 104          HE3       LYS 104 -13.889  -2.650  15.622
  811   1HZ   LYS 104          HZ1       LYS 104 -12.771  -4.342  14.309
  812   2HZ   LYS 104          HZ2       LYS 104 -13.953  -4.224  13.104
  813   3HZ   LYS 104          HZ3       LYS 104 -14.366  -4.802  14.639
  814    H    ILE 105           HN       ILE 105 -15.609   1.142  10.215
  815    HA   ILE 105           HA       ILE 105 -14.847   3.884  10.955
  816    HB   ILE 105           HB       ILE 105 -13.619   2.374   8.647
  817   1HG1  ILE 105          HG12      ILE 105 -12.328   3.312  11.212
  818   2HG1  ILE 105          HG13      ILE 105 -12.843   1.652  10.928
  819   1HG2  ILE 105          HG21      ILE 105 -13.927   4.796   8.291
  820   2HG2  ILE 105          HG22      ILE 105 -13.017   5.104   9.770
  821   3HG2  ILE 105          HG23      ILE 105 -12.225   4.343   8.390
  822   1HD1  ILE 105          HD11      ILE 105 -10.776   3.151   9.341
  823   2HD1  ILE 105          HD12      ILE 105 -10.457   1.926  10.568
  824   3HD1  ILE 105          HD13      ILE 105 -11.279   1.483   9.072
  825    H    ARG 106           HN       ARG 106 -16.256   1.706   8.567
  826    HA   ARG 106           HA       ARG 106 -17.088   3.584   6.680
  827   1HB   ARG 106          HB2       ARG 106 -18.418   0.993   7.487
  828   2HB   ARG 106          HB3       ARG 106 -18.783   1.899   6.026
  829   1HG   ARG 106          HG2       ARG 106 -16.093   0.718   6.688
  830   2HG   ARG 106          HG3       ARG 106 -17.296  -0.025   5.632
  831   1HD   ARG 106          HD2       ARG 106 -15.955   2.643   5.203
  832   2HD   ARG 106          HD3       ARG 106 -15.592   1.150   4.340
  833    HE   ARG 106           HE       ARG 106 -18.338   1.825   4.098
  834   1HH1  ARG 106          HH12      ARG 106 -15.170   2.676   2.926
  835   2HH1  ARG 106          HH11      ARG 106 -15.750   3.268   1.406
  836   1HH2  ARG 106          HH22      ARG 106 -19.112   2.606   2.097
  837   2HH2  ARG 106          HH21      ARG 106 -17.988   3.230   0.935
  838    H    GLU 107           HN       GLU 107 -19.158   2.063   9.164
  839    HA   GLU 107           HA       GLU 107 -20.712   4.566   9.243
  840   1HB   GLU 107          HB2       GLU 107 -21.728   1.753   9.692
  841   2HB   GLU 107          HB3       GLU 107 -22.692   3.221   9.776
  842   1HG   GLU 107          HG2       GLU 107 -22.235   3.637   7.400
  843   2HG   GLU 107          HG3       GLU 107 -21.320   2.132   7.329
  844    H    SER 108           HN       SER 108 -20.338   5.613  11.071
  845    HA   SER 108           HA       SER 108 -19.649   4.107  13.486
  846   1HB   SER 108          HB2       SER 108 -19.445   7.066  12.874
  847   2HB   SER 108          HB3       SER 108 -18.954   6.314  14.392
  848    HG   SER 108           HG       SER 108 -17.181   5.659  13.474
  Start of MODEL   18
    1   1H    MET   1          H1        MET   1  16.778  -6.992   5.724
    2   2H    MET   1          H2        MET   1  17.092  -5.343   5.928
    3   3H    MET   1          H3        MET   1  17.782  -6.471   6.982
    4    HA   MET   1           HA       MET   1  19.398  -5.655   5.393
    5   1HB   MET   1          HB2       MET   1  19.557  -7.958   6.291
    6   2HB   MET   1          HB3       MET   1  18.620  -8.541   4.922
    7   1HG   MET   1          HG2       MET   1  20.370  -7.839   3.396
    8   2HG   MET   1          HG3       MET   1  21.302  -7.189   4.742
    9   1HE   MET   1          HE1       MET   1  22.423  -8.642   6.612
   10   2HE   MET   1          HE2       MET   1  20.875  -9.389   7.004
   11   3HE   MET   1          HE3       MET   1  22.292 -10.397   6.720
   12    H    ALA   2           HN       ALA   2  19.879  -4.997   3.383
   13    HA   ALA   2           HA       ALA   2  19.658  -4.455   1.188
   14   1HB   ALA   2          HB1       ALA   2  19.744  -6.878   0.838
   15   2HB   ALA   2          HB2       ALA   2  17.992  -6.965   1.021
   16   3HB   ALA   2          HB3       ALA   2  18.696  -6.087  -0.337
   17    H    ALA   3           HN       ALA   3  18.012  -3.859  -0.523
   18    HA   ALA   3           HA       ALA   3  16.012  -2.233   0.657
   19   1HB   ALA   3          HB1       ALA   3  16.404  -2.975  -2.240
   20   2HB   ALA   3          HB2       ALA   3  15.406  -1.653  -1.634
   21   3HB   ALA   3          HB3       ALA   3  17.155  -1.612  -1.410
   22    H    GLY   4           HN       GLY   4  14.178  -2.976   1.498
   23   1HA   GLY   4          HA1       GLY   4  12.230  -4.319  -0.008
   24   2HA   GLY   4          HA2       GLY   4  13.071  -5.508   0.974
   25    H    GLU   5           HN       GLU   5  13.222  -2.685   2.650
   26    HA   GLU   5           HA       GLU   5  10.574  -2.693   3.784
   27   1HB   GLU   5          HB2       GLU   5  11.590  -4.633   4.911
   28   2HB   GLU   5          HB3       GLU   5  12.914  -3.618   5.464
   29   1HG   GLU   5          HG2       GLU   5  11.385  -2.303   6.806
   30   2HG   GLU   5          HG3       GLU   5  10.021  -3.244   6.206
   31    H    LEU   6           HN       LEU   6  10.111  -0.660   4.305
   32    HA   LEU   6           HA       LEU   6  12.142   1.355   4.326
   33   1HB   LEU   6          HB2       LEU   6   9.180   1.436   4.876
   34   2HB   LEU   6          HB3       LEU   6  10.197   2.857   4.985
   35    HG   LEU   6           HG       LEU   6   9.099   2.907   2.870
   36   1HD1  LEU   6          HD11      LEU   6  10.972   2.910   1.312
   37   2HD1  LEU   6          HD12      LEU   6  11.423   3.636   2.855
   38   3HD1  LEU   6          HD13      LEU   6  11.943   1.996   2.466
   39   1HD2  LEU   6          HD21      LEU   6   9.279   1.112   1.227
   40   2HD2  LEU   6          HD22      LEU   6  10.180   0.134   2.384
   41   3HD2  LEU   6          HD23      LEU   6   8.496   0.551   2.703
   42    H    GLU   7           HN       GLU   7   9.620   0.854   6.782
   43    HA   GLU   7           HA       GLU   7  11.692   1.123   8.859
   44   1HB   GLU   7          HB2       GLU   7   8.904   2.274   9.034
   45   2HB   GLU   7          HB3       GLU   7  10.207   2.478  10.195
   46   1HG   GLU   7          HG2       GLU   7  11.491   3.718   8.512
   47   2HG   GLU   7          HG3       GLU   7  10.147   3.548   7.383
   48    H    GLY   8           HN       GLY   8   8.891  -0.468   7.674
   49   1HA   GLY   8          HA1       GLY   8   8.966  -2.842   8.754
   50   2HA   GLY   8          HA2       GLY   8   8.500  -1.933  10.185
   51    H    GLY   9           HN       GLY   9   6.452  -2.555  10.541
   52   1HA   GLY   9          HA1       GLY   9   4.593  -2.883   8.344
   53   2HA   GLY   9          HA2       GLY   9   4.258  -3.158  10.047
   54    H    LYS  10           HN       LYS  10   5.460  -0.384  10.556
   55    HA   LYS  10           HA       LYS  10   3.021   1.002  10.698
   56   1HB   LYS  10          HB2       LYS  10   4.746   1.554  12.249
   57   2HB   LYS  10          HB3       LYS  10   5.871   1.954  10.959
   58   1HG   LYS  10          HG2       LYS  10   4.505   3.884  10.353
   59   2HG   LYS  10          HG3       LYS  10   3.358   3.475  11.633
   60   1HD   LYS  10          HD2       LYS  10   5.136   3.770  13.302
   61   2HD   LYS  10          HD3       LYS  10   6.263   4.204  12.015
   62   1HE   LYS  10          HE2       LYS  10   3.749   5.692  12.766
   63   2HE   LYS  10          HE3       LYS  10   5.401   6.195  13.120
   64   1HZ   LYS  10          HZ1       LYS  10   4.572   7.360  11.200
   65   2HZ   LYS  10          HZ2       LYS  10   4.197   5.907  10.421
   66   3HZ   LYS  10          HZ3       LYS  10   5.812   6.312  10.720
   67    HA   PRO  11           HA       PRO  11   4.415   3.614   6.931
   68   1HB   PRO  11          HB2       PRO  11   6.507   2.844   5.434
   69   2HB   PRO  11          HB3       PRO  11   6.719   3.797   6.907
   70   1HG   PRO  11          HG2       PRO  11   7.052   0.852   6.495
   71   2HG   PRO  11          HG3       PRO  11   8.084   1.979   7.393
   72   1HD   PRO  11          HD2       PRO  11   6.245   0.345   8.580
   73   2HD   PRO  11          HD3       PRO  11   6.749   1.905   9.258
   74    H    LEU  12           HN       LEU  12   5.076   0.161   6.449
   75    HA   LEU  12           HA       LEU  12   4.116   0.023   3.802
   76   1HB   LEU  12          HB2       LEU  12   5.566  -1.666   4.963
   77   2HB   LEU  12          HB3       LEU  12   4.140  -2.206   5.828
   78    HG   LEU  12           HG       LEU  12   3.100  -2.642   3.536
   79   1HD1  LEU  12          HD11      LEU  12   5.989  -2.372   2.719
   80   2HD1  LEU  12          HD12      LEU  12   4.701  -3.045   1.721
   81   3HD1  LEU  12          HD13      LEU  12   4.650  -1.348   2.198
   82   1HD2  LEU  12          HD21      LEU  12   4.204  -4.813   3.341
   83   2HD2  LEU  12          HD22      LEU  12   5.497  -4.254   4.400
   84   3HD2  LEU  12          HD23      LEU  12   3.856  -4.419   5.022
   85    H    SER  13           HN       SER  13   2.501  -0.031   6.886
   86    HA   SER  13           HA       SER  13   0.076  -1.218   5.997
   87   1HB   SER  13          HB2       SER  13  -0.877  -0.424   8.094
   88   2HB   SER  13          HB3       SER  13   0.727  -1.095   8.386
   89    HG   SER  13           HG       SER  13  -0.070   1.614   8.319
   90    H    GLY  14           HN       GLY  14   1.180   2.125   6.336
   91   1HA   GLY  14          HA1       GLY  14  -1.289   3.008   4.990
   92   2HA   GLY  14          HA2       GLY  14  -0.273   4.030   6.001
   93    H    LEU  15           HN       LEU  15   1.208   1.875   3.728
   94    HA   LEU  15           HA       LEU  15   2.423   4.077   2.336
   95   1HB   LEU  15          HB2       LEU  15   3.087   1.453   2.783
   96   2HB   LEU  15          HB3       LEU  15   2.651   1.450   1.086
   97    HG   LEU  15           HG       LEU  15   4.335   3.696   1.661
   98   1HD1  LEU  15          HD11      LEU  15   5.396   1.010   2.481
   99   2HD1  LEU  15          HD12      LEU  15   6.396   2.429   2.169
  100   3HD1  LEU  15          HD13      LEU  15   5.225   2.448   3.487
  101   1HD2  LEU  15          HD21      LEU  15   5.753   2.586  -0.075
  102   2HD2  LEU  15          HD22      LEU  15   4.569   1.278  -0.099
  103   3HD2  LEU  15          HD23      LEU  15   4.087   2.915  -0.552
  104    H    LEU  16           HN       LEU  16   0.166   1.490   1.514
  105    HA   LEU  16           HA       LEU  16  -0.289   2.151  -1.158
  106   1HB   LEU  16          HB2       LEU  16  -2.444   1.082   0.658
  107   2HB   LEU  16          HB3       LEU  16  -2.197   0.758  -1.044
  108    HG   LEU  16           HG       LEU  16  -0.076  -0.116   0.800
  109   1HD1  LEU  16          HD11      LEU  16  -1.265  -2.208   1.269
  110   2HD1  LEU  16          HD12      LEU  16  -2.053  -0.809   2.004
  111   3HD1  LEU  16          HD13      LEU  16  -2.715  -1.525   0.533
  112   1HD2  LEU  16          HD21      LEU  16  -1.327  -1.211  -1.696
  113   2HD2  LEU  16          HD22      LEU  16   0.251  -0.439  -1.542
  114   3HD2  LEU  16          HD23      LEU  16  -0.037  -2.011  -0.795
  115    H    ASN  17           HN       ASN  17  -1.148   3.673   1.741
  116    HA   ASN  17           HA       ASN  17  -3.364   5.215   0.765
  117   1HB   ASN  17          HB2       ASN  17  -1.667   5.291   3.257
  118   2HB   ASN  17          HB3       ASN  17  -2.935   6.481   2.951
  119   1HD2  ASN  17          HD21      ASN  17  -4.647   4.525   1.606
  120   2HD2  ASN  17          HD22      ASN  17  -5.307   3.535   2.857
  121    H    ALA  18           HN       ALA  18  -0.070   6.079   1.843
  122    HA   ALA  18           HA       ALA  18  -0.021   8.726   1.004
  123   1HB   ALA  18          HB1       ALA  18   2.456   8.434   0.908
  124   2HB   ALA  18          HB2       ALA  18   1.712   7.876   2.403
  125   3HB   ALA  18          HB3       ALA  18   2.210   6.709   1.181
  126    H    LEU  19           HN       LEU  19   0.499   5.770  -0.789
  127    HA   LEU  19           HA       LEU  19   1.599   6.915  -3.136
  128   1HB   LEU  19          HB2       LEU  19   0.161   4.299  -2.715
  129   2HB   LEU  19          HB3       LEU  19   1.063   4.730  -4.156
  130    HG   LEU  19           HG       LEU  19   2.353   4.647  -1.440
  131   1HD1  LEU  19          HD11      LEU  19   1.420   2.454  -1.812
  132   2HD1  LEU  19          HD12      LEU  19   2.085   2.415  -3.447
  133   3HD1  LEU  19          HD13      LEU  19   3.166   2.401  -2.053
  134   1HD2  LEU  19          HD21      LEU  19   4.389   4.323  -2.811
  135   2HD2  LEU  19          HD22      LEU  19   3.409   4.542  -4.260
  136   3HD2  LEU  19          HD23      LEU  19   3.587   5.866  -3.109
  137    H    ALA  20           HN       ALA  20  -1.257   7.699  -1.971
  138    HA   ALA  20           HA       ALA  20  -2.942   7.252  -4.271
  139   1HB   ALA  20          HB1       ALA  20  -3.381   8.983  -1.839
  140   2HB   ALA  20          HB2       ALA  20  -4.597   8.583  -3.053
  141   3HB   ALA  20          HB3       ALA  20  -3.915   7.313  -2.037
  142    H    GLN  21           HN       GLN  21  -0.375   8.841  -4.429
  143    HA   GLN  21           HA       GLN  21  -1.367  11.468  -5.232
  144   1HB   GLN  21          HB2       GLN  21   1.004  12.080  -5.437
  145   2HB   GLN  21          HB3       GLN  21   0.630  11.434  -3.846
  146   1HG   GLN  21          HG2       GLN  21   2.448  10.183  -4.147
  147   2HG   GLN  21          HG3       GLN  21   1.411   9.190  -5.168
  148   1HE2  GLN  21          HE21      GLN  21   4.269   9.569  -5.312
  149   2HE2  GLN  21          HE22      GLN  21   4.604  10.199  -6.886
  150    H    ASP  22           HN       ASP  22  -0.842   8.482  -6.647
  151    HA   ASP  22           HA       ASP  22  -0.109   9.625  -9.240
  152   1HB   ASP  22          HB2       ASP  22   0.155   7.255  -9.960
  153   2HB   ASP  22          HB3       ASP  22   1.195   7.697  -8.611
  154    H    THR  23           HN       THR  23  -2.876   9.061  -7.567
  155    HA   THR  23           HA       THR  23  -4.442   8.024  -9.782
  156    HB   THR  23           HB       THR  23  -5.064   7.256  -7.574
  157    HG1  THR  23           HG1      THR  23  -7.249   8.848  -7.902
  158   1HG2  THR  23          HG21      THR  23  -6.098   8.903  -5.973
  159   2HG2  THR  23          HG22      THR  23  -5.418  10.186  -6.976
  160   3HG2  THR  23          HG23      THR  23  -4.351   9.036  -6.170
  161    H    PHE  24           HN       PHE  24  -3.733  11.067  -8.252
  162    HA   PHE  24           HA       PHE  24  -4.187  13.218  -8.804
  163   1HB   PHE  24          HB2       PHE  24  -5.064  12.003 -11.431
  164   2HB   PHE  24          HB3       PHE  24  -4.846  13.725 -11.143
  165    HD1  PHE  24           HD1      PHE  24  -3.144  10.497 -11.514
  166    HD2  PHE  24           HD2      PHE  24  -2.659  14.696 -11.019
  167    HE1  PHE  24           HE1      PHE  24  -0.767  10.289 -12.111
  168    HE2  PHE  24           HE2      PHE  24  -0.280  14.496 -11.616
  169    HZ   PHE  24           HZ       PHE  24   0.669  12.287 -12.162
  170    H    HIS  25           HN       HIS  25  -6.840  11.773 -10.676
  171    HA   HIS  25           HA       HIS  25  -8.777  13.561  -9.748
  172   1HB   HIS  25          HB2       HIS  25  -9.147  10.779 -10.873
  173   2HB   HIS  25          HB3       HIS  25 -10.428  11.973 -10.689
  174    HD1  HIS  25           HD1      HIS  25 -10.799  13.480 -12.631
  175    HD2  HIS  25           HD2      HIS  25  -7.056  11.681 -12.743
  176    HE1  HIS  25           HE1      HIS  25  -9.802  14.142 -14.842
  177    HE2  HIS  25           HE2      HIS  25  -7.538  13.036 -14.892
  178    H    GLY  26           HN       GLY  26  -7.332  10.974  -8.123
  179   1HA   GLY  26          HA1       GLY  26  -9.542  10.146  -6.516
  180   2HA   GLY  26          HA2       GLY  26  -7.845   9.827  -6.190
  181    H    TYR  27           HN       TYR  27  -7.531  10.418  -4.136
  182    HA   TYR  27           HA       TYR  27  -8.926  12.454  -2.791
  183   1HB   TYR  27          HB2       TYR  27  -7.669  10.526  -1.746
  184   2HB   TYR  27          HB3       TYR  27  -6.184  11.416  -2.065
  185    HD1  TYR  27           HD1      TYR  27  -9.502  11.871  -0.407
  186    HD2  TYR  27           HD2      TYR  27  -5.351  12.802  -0.415
  187    HE1  TYR  27           HE1      TYR  27  -9.774  13.078   1.718
  188    HE2  TYR  27           HE2      TYR  27  -5.612  14.011   1.710
  189    HH   TYR  27           HH       TYR  27  -8.395  13.771   3.632
  190    HA   PRO  28           HA       PRO  28  -6.594  15.858  -4.592
  191   1HB   PRO  28          HB2       PRO  28  -8.135  17.860  -3.693
  192   2HB   PRO  28          HB3       PRO  28  -8.667  16.794  -4.999
  193   1HG   PRO  28          HG2       PRO  28  -9.400  16.753  -2.100
  194   2HG   PRO  28          HG3       PRO  28 -10.434  16.512  -3.520
  195   1HD   PRO  28          HD2       PRO  28  -9.417  14.470  -1.983
  196   2HD   PRO  28          HD3       PRO  28  -9.888  14.297  -3.685
  197    H    GLY  29           HN       GLY  29  -6.016  14.640  -1.848
  198   1HA   GLY  29          HA1       GLY  29  -4.725  17.052  -0.747
  199   2HA   GLY  29          HA2       GLY  29  -5.579  15.940   0.311
  200    H    ILE  30           HN       ILE  30  -3.234  15.567  -2.353
  201    HA   ILE  30           HA       ILE  30  -1.246  14.497  -0.568
  202    HB   ILE  30           HB       ILE  30  -2.624  12.514  -0.842
  203   1HG1  ILE  30          HG12      ILE  30  -0.825  11.122  -2.230
  204   2HG1  ILE  30          HG13      ILE  30   0.092  12.615  -2.069
  205   1HG2  ILE  30          HG21      ILE  30  -3.649  13.182  -2.994
  206   2HG2  ILE  30          HG22      ILE  30  -2.145  12.742  -3.806
  207   3HG2  ILE  30          HG23      ILE  30  -3.088  11.510  -2.967
  208   1HD1  ILE  30          HD11      ILE  30  -0.465  12.411   0.441
  209   2HD1  ILE  30          HD12      ILE  30  -0.832  10.729   0.055
  210   3HD1  ILE  30          HD13      ILE  30   0.782  11.373  -0.251
  211    H    THR  31           HN       THR  31   0.652  15.194  -1.295
  212    HA   THR  31           HA       THR  31   0.896  16.058  -4.072
  213    HB   THR  31           HB       THR  31   2.945  16.383  -1.875
  214    HG1  THR  31           HG1      THR  31   0.664  17.923  -2.534
  215   1HG2  THR  31          HG21      THR  31   3.672  18.295  -3.279
  216   2HG2  THR  31          HG22      THR  31   2.494  17.810  -4.498
  217   3HG2  THR  31          HG23      THR  31   3.837  16.740  -4.094
  218    H    GLU  32           HN       GLU  32   2.756  15.472  -5.356
  219    HA   GLU  32           HA       GLU  32   3.270  12.698  -5.322
  220   1HB   GLU  32          HB2       GLU  32   3.253  14.034  -7.386
  221   2HB   GLU  32          HB3       GLU  32   4.689  14.891  -6.846
  222   1HG   GLU  32          HG2       GLU  32   5.950  12.791  -6.902
  223   2HG   GLU  32          HG3       GLU  32   4.509  11.955  -7.482
  224    H    GLU  33           HN       GLU  33   4.697  15.255  -3.632
  225    HA   GLU  33           HA       GLU  33   7.098  13.645  -3.056
  226   1HB   GLU  33          HB2       GLU  33   6.659  16.626  -2.773
  227   2HB   GLU  33          HB3       GLU  33   8.108  15.777  -2.255
  228   1HG   GLU  33          HG2       GLU  33   8.521  15.089  -4.569
  229   2HG   GLU  33          HG3       GLU  33   7.084  15.974  -5.078
  230    H    LEU  34           HN       LEU  34   4.133  14.418  -1.929
  231    HA   LEU  34           HA       LEU  34   4.766  14.709   0.876
  232   1HB   LEU  34          HB2       LEU  34   2.855  15.875  -0.068
  233   2HB   LEU  34          HB3       LEU  34   2.151  14.350  -0.572
  234    HG   LEU  34           HG       LEU  34   2.228  13.777   1.970
  235   1HD1  LEU  34          HD11      LEU  34   2.234  16.792   2.044
  236   2HD1  LEU  34          HD12      LEU  34   1.948  15.715   3.412
  237   3HD1  LEU  34          HD13      LEU  34   3.528  15.745   2.628
  238   1HD2  LEU  34          HD21      LEU  34   0.248  14.097   0.497
  239   2HD2  LEU  34          HD22      LEU  34  -0.010  14.564   2.180
  240   3HD2  LEU  34          HD23      LEU  34   0.255  15.801   0.951
  241    H    LEU  35           HN       LEU  35   3.647  12.211  -1.327
  242    HA   LEU  35           HA       LEU  35   2.749  10.303   0.413
  243   1HB   LEU  35          HB2       LEU  35   2.930   8.799  -1.326
  244   2HB   LEU  35          HB3       LEU  35   2.772  10.331  -2.132
  245    HG   LEU  35           HG       LEU  35   4.360   9.225  -3.396
  246   1HD1  LEU  35          HD11      LEU  35   6.391  10.454  -1.644
  247   2HD1  LEU  35          HD12      LEU  35   6.146  10.595  -3.382
  248   3HD1  LEU  35          HD13      LEU  35   5.117  11.497  -2.271
  249   1HD2  LEU  35          HD21      LEU  35   6.148   7.859  -2.580
  250   2HD2  LEU  35          HD22      LEU  35   5.806   8.321  -0.915
  251   3HD2  LEU  35          HD23      LEU  35   4.649   7.338  -1.811
  252    H    ARG  36           HN       ARG  36   5.977  11.409  -0.021
  253    HA   ARG  36           HA       ARG  36   7.207   9.081   1.173
  254   1HB   ARG  36          HB2       ARG  36   8.594  10.156  -0.393
  255   2HB   ARG  36          HB3       ARG  36   8.221  11.754   0.240
  256   1HG   ARG  36          HG2       ARG  36   9.450  11.134   2.322
  257   2HG   ARG  36          HG3       ARG  36   9.946   9.641   1.517
  258   1HD   ARG  36          HD2       ARG  36  11.156  10.851  -0.139
  259   2HD   ARG  36          HD3       ARG  36  10.471  12.386   0.390
  260    HE   ARG  36           HE       ARG  36  12.135  10.869   2.263
  261   1HH1  ARG  36          HH12      ARG  36  11.710  13.631   0.182
  262   2HH1  ARG  36          HH11      ARG  36  13.038  14.510   0.863
  263   1HH2  ARG  36          HH22      ARG  36  13.881  12.022   3.168
  264   2HH2  ARG  36          HH21      ARG  36  14.273  13.595   2.558
  265    H    SER  37           HN       SER  37   7.034  12.517   2.055
  266    HA   SER  37           HA       SER  37   7.960  12.228   4.668
  267   1HB   SER  37          HB2       SER  37   7.894  14.389   3.547
  268   2HB   SER  37          HB3       SER  37   6.132  14.344   3.516
  269    HG   SER  37           HG       SER  37   7.715  14.323   5.873
  270    H    GLN  38           HN       GLN  38   4.882  11.459   3.336
  271    HA   GLN  38           HA       GLN  38   3.229  11.864   5.552
  272   1HB   GLN  38          HB2       GLN  38   3.092  10.291   3.062
  273   2HB   GLN  38          HB3       GLN  38   2.053   9.740   4.368
  274   1HG   GLN  38          HG2       GLN  38   2.109  12.532   3.250
  275   2HG   GLN  38          HG3       GLN  38   0.917  11.294   2.856
  276   1HE2  GLN  38          HE21      GLN  38   0.590  13.937   4.093
  277   2HE2  GLN  38          HE22      GLN  38  -0.203  13.654   5.601
  278    H    LEU  39           HN       LEU  39   5.231   9.040   4.699
  279    HA   LEU  39           HA       LEU  39   4.887   8.129   7.462
  280   1HB   LEU  39          HB2       LEU  39   4.568   6.306   5.083
  281   2HB   LEU  39          HB3       LEU  39   4.518   5.822   6.766
  282    HG   LEU  39           HG       LEU  39   2.547   7.675   6.749
  283   1HD1  LEU  39          HD11      LEU  39   1.214   7.451   4.756
  284   2HD1  LEU  39          HD12      LEU  39   2.821   8.028   4.314
  285   3HD1  LEU  39          HD13      LEU  39   2.389   6.339   4.053
  286   1HD2  LEU  39          HD21      LEU  39   2.262   4.769   5.996
  287   2HD2  LEU  39          HD22      LEU  39   2.414   5.402   7.635
  288   3HD2  LEU  39          HD23      LEU  39   0.995   5.797   6.665
  289    H    TYR  40           HN       TYR  40   6.738   7.960   4.467
  290    HA   TYR  40           HA       TYR  40   8.993   6.866   6.018
  291   1HB   TYR  40          HB2       TYR  40   9.737   6.301   3.487
  292   2HB   TYR  40          HB3       TYR  40   8.821   5.191   4.497
  293    HD1  TYR  40           HD1      TYR  40   6.229   5.342   4.313
  294    HD2  TYR  40           HD2      TYR  40   8.902   6.915   1.406
  295    HE1  TYR  40           HE1      TYR  40   4.425   5.311   2.654
  296    HE2  TYR  40           HE2      TYR  40   7.110   6.877  -0.265
  297    HH   TYR  40           HH       TYR  40   4.997   5.758  -0.683
  298    HA   PRO  41           HA       PRO  41  10.474  10.960   4.615
  299   1HB   PRO  41          HB2       PRO  41  11.534  11.776   6.925
  300   2HB   PRO  41          HB3       PRO  41   9.787  11.828   6.655
  301   1HG   PRO  41          HG2       PRO  41  11.408   9.848   8.198
  302   2HG   PRO  41          HG3       PRO  41   9.828  10.550   8.587
  303   1HD   PRO  41          HD2       PRO  41  10.222   8.053   7.453
  304   2HD   PRO  41          HD3       PRO  41   8.713   8.982   7.369
  305    H    GLU  42           HN       GLU  42  11.835   8.067   5.221
  306    HA   GLU  42           HA       GLU  42  14.599   9.003   5.337
  307   1HB   GLU  42          HB2       GLU  42  15.175   6.614   5.602
  308   2HB   GLU  42          HB3       GLU  42  14.055   7.185   6.830
  309   1HG   GLU  42          HG2       GLU  42  12.204   6.138   5.670
  310   2HG   GLU  42          HG3       GLU  42  13.285   5.623   4.376
  311    H    VAL  43           HN       VAL  43  12.472   7.075   3.232
  312    HA   VAL  43           HA       VAL  43  14.544   6.876   1.222
  313    HB   VAL  43           HB       VAL  43  12.979   4.993   1.618
  314   1HG1  VAL  43          HG11      VAL  43  10.984   6.423   2.038
  315   2HG1  VAL  43          HG12      VAL  43  10.892   6.709   0.300
  316   3HG1  VAL  43          HG13      VAL  43  10.700   5.074   0.936
  317   1HG2  VAL  43          HG21      VAL  43  12.789   6.165  -1.155
  318   2HG2  VAL  43          HG22      VAL  43  14.154   5.241  -0.526
  319   3HG2  VAL  43          HG23      VAL  43  12.579   4.468  -0.720
  320    HA   PRO  44           HA       PRO  44  13.522  10.850  -0.581
  321   1HB   PRO  44          HB2       PRO  44  14.646  10.234  -3.063
  322   2HB   PRO  44          HB3       PRO  44  15.496  10.970  -1.700
  323   1HG   PRO  44          HG2       PRO  44  15.410   8.115  -2.566
  324   2HG   PRO  44          HG3       PRO  44  16.768   9.051  -1.913
  325   1HD   PRO  44          HD2       PRO  44  15.456   7.297  -0.392
  326   2HD   PRO  44          HD3       PRO  44  16.010   8.847   0.278
  327    HA   PRO  45           HA       PRO  45   9.873  10.031  -2.938
  328   1HB   PRO  45          HB2       PRO  45  10.335  12.495  -4.478
  329   2HB   PRO  45          HB3       PRO  45   9.046  12.113  -3.334
  330   1HG   PRO  45          HG2       PRO  45  10.958  13.881  -2.717
  331   2HG   PRO  45          HG3       PRO  45  10.294  12.776  -1.493
  332   1HD   PRO  45          HD2       PRO  45  12.844  12.537  -3.066
  333   2HD   PRO  45          HD3       PRO  45  12.580  12.316  -1.322
  334    H    GLU  46           HN       GLU  46  12.652   9.288  -4.090
  335    HA   GLU  46           HA       GLU  46  11.721   8.926  -6.857
  336   1HB   GLU  46          HB2       GLU  46  14.533   9.537  -5.931
  337   2HB   GLU  46          HB3       GLU  46  14.108   9.058  -7.569
  338   1HG   GLU  46          HG2       GLU  46  13.074  11.516  -6.172
  339   2HG   GLU  46          HG3       GLU  46  14.425  11.488  -7.305
  340    H    GLU  47           HN       GLU  47  13.569   7.672  -4.136
  341    HA   GLU  47           HA       GLU  47  14.093   5.151  -5.458
  342   1HB   GLU  47          HB2       GLU  47  14.623   6.113  -2.645
  343   2HB   GLU  47          HB3       GLU  47  15.041   4.503  -3.217
  344   1HG   GLU  47          HG2       GLU  47  16.415   5.612  -5.004
  345   2HG   GLU  47          HG3       GLU  47  16.145   7.133  -4.154
  346    H    PHE  48           HN       PHE  48  11.359   6.385  -4.306
  347    HA   PHE  48           HA       PHE  48  10.430   4.203  -2.677
  348   1HB   PHE  48          HB2       PHE  48   8.392   5.376  -2.509
  349   2HB   PHE  48          HB3       PHE  48   9.622   6.632  -2.573
  350    HD1  PHE  48           HD1      PHE  48  10.144   7.546  -4.982
  351    HD2  PHE  48           HD2      PHE  48   6.547   5.556  -3.876
  352    HE1  PHE  48           HE1      PHE  48   8.986   8.588  -6.887
  353    HE2  PHE  48           HE2      PHE  48   5.384   6.594  -5.779
  354    HZ   PHE  48           HZ       PHE  48   6.594   8.093  -7.292
  355    H    ARG  49           HN       ARG  49  10.453   5.024  -6.042
  356    HA   ARG  49           HA       ARG  49   8.340   3.360  -6.897
  357   1HB   ARG  49          HB2       ARG  49   9.735   5.267  -8.119
  358   2HB   ARG  49          HB3       ARG  49  10.625   3.876  -8.725
  359   1HG   ARG  49          HG2       ARG  49   8.940   4.412 -10.313
  360   2HG   ARG  49          HG3       ARG  49   8.459   2.919  -9.502
  361   1HD   ARG  49          HD2       ARG  49   6.988   4.232  -8.020
  362   2HD   ARG  49          HD3       ARG  49   7.434   5.693  -8.901
  363    HE   ARG  49           HE       ARG  49   6.505   4.013 -10.832
  364   1HH1  ARG  49          HH12      ARG  49   5.214   5.244  -7.835
  365   2HH1  ARG  49          HH11      ARG  49   3.568   5.185  -8.372
  366   1HH2  ARG  49          HH22      ARG  49   4.341   3.934 -11.544
  367   2HH2  ARG  49          HH21      ARG  49   3.072   4.439 -10.478
  368    HA   PRO  50           HA       PRO  50  11.925   0.167  -8.021
  369   1HB   PRO  50          HB2       PRO  50  13.878   0.234  -6.028
  370   2HB   PRO  50          HB3       PRO  50  14.069   0.831  -7.678
  371   1HG   PRO  50          HG2       PRO  50  13.445   2.329  -5.180
  372   2HG   PRO  50          HG3       PRO  50  14.445   2.813  -6.561
  373   1HD   PRO  50          HD2       PRO  50  11.980   3.796  -6.216
  374   2HD   PRO  50          HD3       PRO  50  12.603   3.426  -7.837
  375    H    PHE  51           HN       PHE  51  11.196   1.181  -4.712
  376    HA   PHE  51           HA       PHE  51  11.100  -1.485  -3.694
  377   1HB   PHE  51          HB2       PHE  51  11.539   0.186  -2.080
  378   2HB   PHE  51          HB3       PHE  51  10.207   1.192  -2.639
  379    HD1  PHE  51           HD1      PHE  51   8.057   0.970  -1.734
  380    HD2  PHE  51           HD2      PHE  51  11.034  -1.947  -0.886
  381    HE1  PHE  51           HE1      PHE  51   6.605  -0.004  -0.006
  382    HE2  PHE  51           HE2      PHE  51   9.590  -2.927   0.839
  383    HZ   PHE  51           HZ       PHE  51   7.334  -1.985   1.241
  384    H    LEU  52           HN       LEU  52   8.826   0.795  -5.072
  385    HA   LEU  52           HA       LEU  52   6.447  -0.531  -4.394
  386   1HB   LEU  52          HB2       LEU  52   7.186   1.386  -6.572
  387   2HB   LEU  52          HB3       LEU  52   5.600   0.648  -6.547
  388    HG   LEU  52           HG       LEU  52   6.787   2.454  -4.442
  389   1HD1  LEU  52          HD11      LEU  52   5.237   4.052  -5.136
  390   2HD1  LEU  52          HD12      LEU  52   5.856   3.379  -6.643
  391   3HD1  LEU  52          HD13      LEU  52   4.279   2.871  -6.032
  392   1HD2  LEU  52          HD21      LEU  52   4.623   2.245  -3.311
  393   2HD2  LEU  52          HD22      LEU  52   4.138   1.019  -4.483
  394   3HD2  LEU  52          HD23      LEU  52   5.478   0.703  -3.382
  395    H    ALA  53           HN       ALA  53   8.905  -1.334  -6.650
  396    HA   ALA  53           HA       ALA  53   7.519  -2.664  -8.636
  397   1HB   ALA  53          HB1       ALA  53   9.962  -2.359  -8.642
  398   2HB   ALA  53          HB2       ALA  53  10.107  -3.559  -7.358
  399   3HB   ALA  53          HB3       ALA  53   9.510  -4.036  -8.947
  400    H    LYS  54           HN       LYS  54   7.824  -3.396  -5.317
  401    HA   LYS  54           HA       LYS  54   6.505  -5.996  -5.711
  402   1HB   LYS  54          HB2       LYS  54   8.172  -5.069  -3.365
  403   2HB   LYS  54          HB3       LYS  54   7.421  -6.651  -3.532
  404   1HG   LYS  54          HG2       LYS  54   8.885  -7.294  -5.241
  405   2HG   LYS  54          HG3       LYS  54   9.407  -5.634  -5.536
  406   1HD   LYS  54          HD2       LYS  54  11.146  -6.842  -4.366
  407   2HD   LYS  54          HD3       LYS  54  10.467  -5.605  -3.306
  408   1HE   LYS  54          HE2       LYS  54   9.114  -7.276  -2.183
  409   2HE   LYS  54          HE3       LYS  54   9.706  -8.523  -3.282
  410   1HZ   LYS  54          HZ1       LYS  54  11.368  -6.978  -1.364
  411   2HZ   LYS  54          HZ2       LYS  54  11.934  -8.177  -2.414
  412   3HZ   LYS  54          HZ3       LYS  54  10.867  -8.584  -1.166
  413    H    MET  55           HN       MET  55   6.071  -2.841  -4.717
  414    HA   MET  55           HA       MET  55   3.682  -3.558  -3.150
  415   1HB   MET  55          HB2       MET  55   5.802  -1.515  -2.602
  416   2HB   MET  55          HB3       MET  55   4.152  -1.195  -2.084
  417   1HG   MET  55          HG2       MET  55   5.871  -3.530  -1.258
  418   2HG   MET  55          HG3       MET  55   5.392  -2.153  -0.268
  419   1HE   MET  55          HE1       MET  55   2.588  -1.554  -0.806
  420   2HE   MET  55          HE2       MET  55   1.537  -2.684   0.050
  421   3HE   MET  55          HE3       MET  55   2.897  -1.939   0.888
  422    H    ARG  56           HN       ARG  56   4.043  -2.895  -6.057
  423    HA   ARG  56           HA       ARG  56   2.518  -0.383  -6.189
  424   1HB   ARG  56          HB2       ARG  56   3.187  -0.201  -8.487
  425   2HB   ARG  56          HB3       ARG  56   4.619  -0.548  -7.528
  426   1HG   ARG  56          HG2       ARG  56   4.298  -2.972  -8.166
  427   2HG   ARG  56          HG3       ARG  56   3.112  -2.400  -9.343
  428   1HD   ARG  56          HD2       ARG  56   5.978  -1.484  -9.187
  429   2HD   ARG  56          HD3       ARG  56   5.371  -2.708 -10.300
  430    HE   ARG  56           HE       ARG  56   3.823  -0.431 -10.662
  431   1HH1  ARG  56          HH12      ARG  56   7.149  -1.402 -11.052
  432   2HH1  ARG  56          HH11      ARG  56   7.456  -0.289 -12.342
  433   1HH2  ARG  56          HH22      ARG  56   4.220   1.036 -12.363
  434   2HH2  ARG  56          HH21      ARG  56   5.794   1.096 -13.087
  435    H    GLY  57           HN       GLY  57   2.475  -3.762  -7.223
  436   1HA   GLY  57          HA1       GLY  57   0.199  -3.731  -8.824
  437   2HA   GLY  57          HA2       GLY  57   0.739  -5.113  -7.880
  438    H    ILE  58           HN       ILE  58   0.472  -3.455  -5.387
  439    HA   ILE  58           HA       ILE  58  -2.282  -4.135  -4.868
  440    HB   ILE  58           HB       ILE  58  -0.315  -2.830  -2.991
  441   1HG1  ILE  58          HG12      ILE  58  -0.437  -5.443  -2.238
  442   2HG1  ILE  58          HG13      ILE  58  -0.545  -5.595  -3.985
  443   1HG2  ILE  58          HG21      ILE  58  -1.775  -3.949  -1.281
  444   2HG2  ILE  58          HG22      ILE  58  -2.541  -2.635  -2.175
  445   3HG2  ILE  58          HG23      ILE  58  -2.905  -4.312  -2.586
  446   1HD1  ILE  58          HD11      ILE  58   1.642  -4.209  -2.454
  447   2HD1  ILE  58          HD12      ILE  58   1.750  -5.772  -3.263
  448   3HD1  ILE  58          HD13      ILE  58   1.528  -4.302  -4.211
  449    H    LEU  59           HN       LEU  59  -0.273  -1.209  -4.890
  450    HA   LEU  59           HA       LEU  59  -2.236   0.623  -4.114
  451   1HB   LEU  59          HB2       LEU  59   0.176   1.133  -4.257
  452   2HB   LEU  59          HB3       LEU  59   0.095   1.042  -6.004
  453    HG   LEU  59           HG       LEU  59   0.124   3.357  -4.875
  454   1HD1  LEU  59          HD11      LEU  59  -2.031   2.802  -6.897
  455   2HD1  LEU  59          HD12      LEU  59  -1.176   4.322  -6.636
  456   3HD1  LEU  59          HD13      LEU  59  -0.311   2.920  -7.266
  457   1HD2  LEU  59          HD21      LEU  59  -2.799   2.705  -4.538
  458   2HD2  LEU  59          HD22      LEU  59  -1.633   2.872  -3.224
  459   3HD2  LEU  59          HD23      LEU  59  -2.026   4.261  -4.237
  460    H    LYS  60           HN       LYS  60  -1.511  -0.856  -7.185
  461    HA   LYS  60           HA       LYS  60  -3.384   0.764  -8.664
  462   1HB   LYS  60          HB2       LYS  60  -1.683   0.112 -10.068
  463   2HB   LYS  60          HB3       LYS  60  -1.467  -1.435  -9.265
  464   1HG   LYS  60          HG2       LYS  60  -3.964  -1.011 -10.815
  465   2HG   LYS  60          HG3       LYS  60  -2.457  -1.248 -11.700
  466   1HD   LYS  60          HD2       LYS  60  -2.083  -3.355 -10.582
  467   2HD   LYS  60          HD3       LYS  60  -3.498  -3.102  -9.560
  468   1HE   LYS  60          HE2       LYS  60  -4.037  -4.643 -11.346
  469   2HE   LYS  60          HE3       LYS  60  -4.924  -3.135 -11.566
  470   1HZ   LYS  60          HZ1       LYS  60  -3.997  -3.912 -13.650
  471   2HZ   LYS  60          HZ2       LYS  60  -2.437  -3.908 -12.996
  472   3HZ   LYS  60          HZ3       LYS  60  -3.272  -2.451 -13.199
  473    H    SER  61           HN       SER  61  -3.405  -2.127  -6.827
  474    HA   SER  61           HA       SER  61  -5.672  -3.369  -8.036
  475   1HB   SER  61          HB2       SER  61  -3.965  -4.601  -6.710
  476   2HB   SER  61          HB3       SER  61  -4.537  -3.777  -5.258
  477    HG   SER  61           HG       SER  61  -5.420  -5.990  -5.940
  478    H    ILE  62           HN       ILE  62  -5.202  -1.412  -5.116
  479    HA   ILE  62           HA       ILE  62  -8.026  -1.448  -4.514
  480    HB   ILE  62           HB       ILE  62  -5.671  -0.113  -3.194
  481   1HG1  ILE  62          HG12      ILE  62  -6.435  -1.611  -1.291
  482   2HG1  ILE  62          HG13      ILE  62  -7.528  -2.375  -2.439
  483   1HG2  ILE  62          HG21      ILE  62  -8.587   0.110  -2.460
  484   2HG2  ILE  62          HG22      ILE  62  -7.254   0.563  -1.397
  485   3HG2  ILE  62          HG23      ILE  62  -7.498   1.419  -2.920
  486   1HD1  ILE  62          HD11      ILE  62  -4.530  -2.271  -2.678
  487   2HD1  ILE  62          HD12      ILE  62  -5.479  -3.655  -2.136
  488   3HD1  ILE  62          HD13      ILE  62  -5.637  -3.073  -3.792
  489    H    ALA  63           HN       ALA  63  -5.666   0.982  -5.611
  490    HA   ALA  63           HA       ALA  63  -7.702   3.029  -5.756
  491   1HB   ALA  63          HB1       ALA  63  -4.836   3.128  -6.672
  492   2HB   ALA  63          HB2       ALA  63  -5.921   4.501  -6.457
  493   3HB   ALA  63          HB3       ALA  63  -5.409   3.555  -5.060
  494    H    SER  64           HN       SER  64  -5.443   1.732  -8.200
  495    HA   SER  64           HA       SER  64  -6.889   2.888 -10.359
  496   1HB   SER  64          HB2       SER  64  -4.509   2.547 -10.551
  497   2HB   SER  64          HB3       SER  64  -4.699   0.809 -10.327
  498    HG   SER  64           HG       SER  64  -4.482   1.628 -12.564
  499    H    ALA  65           HN       ALA  65  -7.403  -0.018  -8.622
  500    HA   ALA  65           HA       ALA  65  -9.073  -0.994 -10.847
  501   1HB   ALA  65          HB1       ALA  65  -8.713  -3.292  -9.904
  502   2HB   ALA  65          HB2       ALA  65  -7.291  -2.536 -10.625
  503   3HB   ALA  65          HB3       ALA  65  -7.467  -2.590  -8.872
  504    H    ASP  66           HN       ASP  66  -8.782  -0.698  -7.337
  505    HA   ASP  66           HA       ASP  66 -10.328  -0.731  -5.665
  506   1HB   ASP  66          HB2       ASP  66 -11.256   1.162  -6.926
  507   2HB   ASP  66          HB3       ASP  66 -12.209   0.050  -7.904
  508    H    MET  67           HN       MET  67 -10.408  -2.834  -5.028
  509    HA   MET  67           HA       MET  67 -12.267  -4.624  -6.436
  510   1HB   MET  67          HB2       MET  67 -10.103  -5.331  -4.452
  511   2HB   MET  67          HB3       MET  67 -11.071  -6.461  -5.389
  512   1HG   MET  67          HG2       MET  67  -9.211  -4.431  -6.598
  513   2HG   MET  67          HG3       MET  67  -8.764  -6.099  -6.246
  514   1HE   MET  67          HE1       MET  67  -8.272  -4.985  -8.994
  515   2HE   MET  67          HE2       MET  67  -8.111  -6.729  -8.792
  516   3HE   MET  67          HE3       MET  67  -9.040  -6.079 -10.145
  517    H    ASP  68           HN       ASP  68 -12.478  -6.486  -4.252
  518    HA   ASP  68           HA       ASP  68 -14.050  -4.920  -2.317
  519   1HB   ASP  68          HB2       ASP  68 -15.588  -5.934  -3.909
  520   2HB   ASP  68          HB3       ASP  68 -14.864  -7.516  -3.637
  521    H    PHE  69           HN       PHE  69 -13.441  -8.412  -2.657
  522    HA   PHE  69           HA       PHE  69 -11.666  -8.457  -0.381
  523   1HB   PHE  69          HB2       PHE  69 -13.557  -8.411   0.975
  524   2HB   PHE  69          HB3       PHE  69 -14.531  -9.312  -0.180
  525    HD1  PHE  69           HD1      PHE  69 -14.796 -11.619   0.021
  526    HD2  PHE  69           HD2      PHE  69 -11.747  -9.653   2.245
  527    HE1  PHE  69           HE1      PHE  69 -14.388 -13.691   1.285
  528    HE2  PHE  69           HE2      PHE  69 -11.334 -11.722   3.511
  529    HZ   PHE  69           HZ       PHE  69 -12.654 -13.743   3.033
  530    H    ASN  70           HN       ASN  70 -13.804 -10.443  -2.420
  531    HA   ASN  70           HA       ASN  70 -12.295 -12.815  -2.172
  532   1HB   ASN  70          HB2       ASN  70 -13.563 -13.471  -4.292
  533   2HB   ASN  70          HB3       ASN  70 -14.524 -13.078  -2.871
  534   1HD2  ASN  70          HD21      ASN  70 -16.331 -12.551  -4.048
  535   2HD2  ASN  70          HD22      ASN  70 -16.437 -11.120  -5.010
  536    H    GLN  71           HN       GLN  71 -11.740  -9.975  -3.988
  537    HA   GLN  71           HA       GLN  71 -10.034 -11.325  -5.930
  538   1HB   GLN  71          HB2       GLN  71 -10.707  -8.399  -5.588
  539   2HB   GLN  71          HB3       GLN  71  -9.726  -9.062  -6.887
  540   1HG   GLN  71          HG2       GLN  71 -12.612  -9.736  -6.364
  541   2HG   GLN  71          HG3       GLN  71 -12.028  -8.607  -7.584
  542   1HE2  GLN  71          HE21      GLN  71 -13.587 -11.045  -7.904
  543   2HE2  GLN  71          HE22      GLN  71 -12.674 -12.067  -8.956
  544    H    LEU  72           HN       LEU  72  -9.739  -8.875  -3.373
  545    HA   LEU  72           HA       LEU  72  -6.933  -8.604  -3.570
  546   1HB   LEU  72          HB2       LEU  72  -9.062  -7.623  -1.865
  547   2HB   LEU  72          HB3       LEU  72  -7.600  -7.929  -0.970
  548    HG   LEU  72           HG       LEU  72  -6.426  -6.337  -2.161
  549   1HD1  LEU  72          HD11      LEU  72  -8.605  -6.464  -4.203
  550   2HD1  LEU  72          HD12      LEU  72  -7.426  -5.152  -4.156
  551   3HD1  LEU  72          HD13      LEU  72  -6.889  -6.811  -4.412
  552   1HD2  LEU  72          HD21      LEU  72  -7.934  -5.326  -0.595
  553   2HD2  LEU  72          HD22      LEU  72  -7.796  -4.294  -2.019
  554   3HD2  LEU  72          HD23      LEU  72  -9.220  -5.312  -1.802
  555    H    GLU  73           HN       GLU  73  -9.003 -10.645  -1.559
  556    HA   GLU  73           HA       GLU  73  -7.188 -11.591   0.283
  557   1HB   GLU  73          HB2       GLU  73  -9.587 -12.157   0.289
  558   2HB   GLU  73          HB3       GLU  73  -9.344 -13.187  -1.115
  559   1HG   GLU  73          HG2       GLU  73  -9.463 -14.556   0.838
  560   2HG   GLU  73          HG3       GLU  73  -7.810 -14.584   0.226
  561    H    ALA  74           HN       ALA  74  -7.803 -12.820  -2.983
  562    HA   ALA  74           HA       ALA  74  -5.653 -14.741  -2.797
  563   1HB   ALA  74          HB1       ALA  74  -7.366 -13.973  -5.158
  564   2HB   ALA  74          HB2       ALA  74  -6.282 -15.361  -5.064
  565   3HB   ALA  74          HB3       ALA  74  -7.703 -15.281  -4.022
  566    H    PHE  75           HN       PHE  75  -5.968 -11.460  -3.668
  567    HA   PHE  75           HA       PHE  75  -3.896 -11.399  -5.650
  568   1HB   PHE  75          HB2       PHE  75  -5.737  -9.729  -5.546
  569   2HB   PHE  75          HB3       PHE  75  -5.045  -9.108  -4.050
  570    HD1  PHE  75           HD1      PHE  75  -3.320  -7.531  -4.089
  571    HD2  PHE  75           HD2      PHE  75  -4.343  -9.629  -7.647
  572    HE1  PHE  75           HE1      PHE  75  -1.855  -6.040  -5.384
  573    HE2  PHE  75           HE2      PHE  75  -2.879  -8.142  -8.951
  574    HZ   PHE  75           HZ       PHE  75  -1.633  -6.345  -7.819
  575    H    LEU  76           HN       LEU  76  -4.057 -10.992  -2.176
  576    HA   LEU  76           HA       LEU  76  -1.495  -9.813  -1.862
  577   1HB   LEU  76          HB2       LEU  76  -3.552 -10.100  -0.204
  578   2HB   LEU  76          HB3       LEU  76  -2.644 -11.518   0.291
  579    HG   LEU  76           HG       LEU  76  -2.129  -9.659   1.749
  580   1HD1  LEU  76          HD11      LEU  76   0.285  -9.600   1.559
  581   2HD1  LEU  76          HD12      LEU  76  -0.322 -11.226   1.250
  582   3HD1  LEU  76          HD13      LEU  76   0.185 -10.203  -0.094
  583   1HD2  LEU  76          HD21      LEU  76  -1.841  -8.215  -0.801
  584   2HD2  LEU  76          HD22      LEU  76  -2.447  -7.662   0.758
  585   3HD2  LEU  76          HD23      LEU  76  -0.710  -7.791   0.482
  586    H    THR  77           HN       THR  77  -2.646 -13.175  -1.705
  587    HA   THR  77           HA       THR  77  -0.244 -14.367  -0.932
  588    HB   THR  77           HB       THR  77  -2.292 -15.579  -2.800
  589    HG1  THR  77           HG1      THR  77  -2.918 -16.436  -0.517
  590   1HG2  THR  77          HG21      THR  77  -0.217 -16.859  -2.581
  591   2HG2  THR  77          HG22      THR  77  -1.564 -17.697  -1.807
  592   3HG2  THR  77          HG23      THR  77  -0.381 -16.832  -0.824
  593    H    ALA  78           HN       ALA  78  -1.422 -13.266  -4.030
  594    HA   ALA  78           HA       ALA  78   0.468 -14.503  -5.701
  595   1HB   ALA  78          HB1       ALA  78  -1.565 -13.506  -6.571
  596   2HB   ALA  78          HB2       ALA  78  -1.025 -11.907  -6.060
  597   3HB   ALA  78          HB3       ALA  78  -0.159 -12.765  -7.334
  598    H    GLN  79           HN       GLN  79   0.701 -11.843  -3.544
  599    HA   GLN  79           HA       GLN  79   3.032 -10.671  -4.771
  600   1HB   GLN  79          HB2       GLN  79   1.928 -10.174  -2.009
  601   2HB   GLN  79          HB3       GLN  79   3.008  -9.132  -2.925
  602   1HG   GLN  79          HG2       GLN  79   1.304  -8.571  -4.468
  603   2HG   GLN  79          HG3       GLN  79   0.232  -9.819  -3.835
  604   1HE2  GLN  79          HE21      GLN  79   2.169  -7.819  -1.753
  605   2HE2  GLN  79          HE22      GLN  79   0.868  -6.895  -1.095
  606    H    THR  80           HN       THR  80   2.438 -13.315  -2.789
  607    HA   THR  80           HA       THR  80   5.164 -13.252  -1.682
  608    HB   THR  80           HB       THR  80   4.427 -14.851  -0.002
  609    HG1  THR  80           HG1      THR  80   2.806 -16.057  -0.697
  610   1HG2  THR  80          HG21      THR  80   2.880 -13.433   1.246
  611   2HG2  THR  80          HG22      THR  80   2.493 -12.539  -0.224
  612   3HG2  THR  80          HG23      THR  80   4.117 -12.454   0.459
  613    H    LYS  81           HN       LYS  81   3.151 -14.777  -3.965
  614    HA   LYS  81           HA       LYS  81   4.823 -17.182  -4.063
  615   1HB   LYS  81          HB2       LYS  81   2.329 -16.545  -5.647
  616   2HB   LYS  81          HB3       LYS  81   3.155 -18.095  -5.577
  617   1HG   LYS  81          HG2       LYS  81   2.651 -18.181  -3.143
  618   2HG   LYS  81          HG3       LYS  81   1.688 -16.720  -3.341
  619   1HD   LYS  81          HD2       LYS  81   1.204 -19.420  -4.591
  620   2HD   LYS  81          HD3       LYS  81   0.207 -18.594  -3.391
  621   1HE   LYS  81          HE2       LYS  81   0.682 -17.680  -6.227
  622   2HE   LYS  81          HE3       LYS  81  -0.778 -18.459  -5.623
  623   1HZ   LYS  81          HZ1       LYS  81  -1.171 -16.598  -4.177
  624   2HZ   LYS  81          HZ2       LYS  81  -0.983 -16.037  -5.762
  625   3HZ   LYS  81          HZ3       LYS  81   0.279 -15.864  -4.649
  626    H    LYS  82           HN       LYS  82   5.056 -14.181  -5.195
  627    HA   LYS  82           HA       LYS  82   5.672 -14.726  -7.968
  628   1HB   LYS  82          HB2       LYS  82   6.324 -12.345  -8.041
  629   2HB   LYS  82          HB3       LYS  82   4.709 -12.566  -7.380
  630   1HG   LYS  82          HG2       LYS  82   5.424 -12.086  -5.201
  631   2HG   LYS  82          HG3       LYS  82   7.122 -12.299  -5.625
  632   1HD   LYS  82          HD2       LYS  82   6.880  -9.985  -5.500
  633   2HD   LYS  82          HD3       LYS  82   6.753 -10.319  -7.227
  634   1HE   LYS  82          HE2       LYS  82   4.292 -10.286  -7.014
  635   2HE   LYS  82          HE3       LYS  82   4.472  -9.859  -5.313
  636   1HZ   LYS  82          HZ1       LYS  82   5.394  -8.243  -7.626
  637   2HZ   LYS  82          HZ2       LYS  82   5.643  -7.843  -6.002
  638   3HZ   LYS  82          HZ3       LYS  82   4.073  -7.897  -6.629
  639    H    GLN  83           HN       GLN  83   7.894 -13.324  -8.527
  640    HA   GLN  83           HA       GLN  83   9.990 -15.063  -7.709
  641   1HB   GLN  83          HB2       GLN  83  10.210 -12.386  -9.101
  642   2HB   GLN  83          HB3       GLN  83  11.441 -13.640  -9.051
  643   1HG   GLN  83          HG2       GLN  83   9.911 -15.135 -10.286
  644   2HG   GLN  83          HG3       GLN  83   8.760 -13.805 -10.406
  645   1HE2  GLN  83          HE21      GLN  83  10.148 -15.302 -12.499
  646   2HE2  GLN  83          HE22      GLN  83  11.006 -14.129 -13.433
  647    H    GLY  84           HN       GLY  84  10.347 -14.987  -5.522
  648   1HA   GLY  84          HA1       GLY  84  11.537 -14.181  -3.687
  649   2HA   GLY  84          HA2       GLY  84  11.761 -12.657  -4.537
  650    H    GLY  85           HN       GLY  85   9.567 -11.470  -4.911
  651   1HA   GLY  85          HA1       GLY  85   7.859 -10.292  -3.960
  652   2HA   GLY  85          HA2       GLY  85   7.380 -11.818  -3.236
  653    H    ILE  86           HN       ILE  86   6.655 -10.283  -1.561
  654    HA   ILE  86           HA       ILE  86   8.723  -9.148   0.127
  655    HB   ILE  86           HB       ILE  86   6.836  -8.280   1.444
  656   1HG1  ILE  86          HG12      ILE  86   5.137  -9.734  -0.602
  657   2HG1  ILE  86          HG13      ILE  86   5.318 -10.205   1.084
  658   1HG2  ILE  86          HG21      ILE  86   6.590  -7.882  -1.541
  659   2HG2  ILE  86          HG22      ILE  86   5.923  -6.804  -0.312
  660   3HG2  ILE  86          HG23      ILE  86   7.670  -7.005  -0.457
  661   1HD1  ILE  86          HD11      ILE  86   4.107  -7.635   0.100
  662   2HD1  ILE  86          HD12      ILE  86   3.222  -9.043   0.684
  663   3HD1  ILE  86          HD13      ILE  86   4.258  -8.135   1.783
  664    H    THR  87           HN       THR  87   8.292  -9.463   2.590
  665    HA   THR  87           HA       THR  87   8.421 -12.332   3.077
  666    HB   THR  87           HB       THR  87  10.196 -10.946   4.029
  667    HG1  THR  87           HG1      THR  87   9.303 -12.853   5.175
  668   1HG2  THR  87          HG21      THR  87   9.729  -9.377   5.848
  669   2HG2  THR  87          HG22      THR  87   7.998  -9.653   5.645
  670   3HG2  THR  87          HG23      THR  87   8.925  -8.883   4.358
  671    H    SER  88           HN       SER  88   7.486 -13.014   5.300
  672    HA   SER  88           HA       SER  88   4.687 -12.858   5.137
  673   1HB   SER  88          HB2       SER  88   6.422 -13.744   7.455
  674   2HB   SER  88          HB3       SER  88   4.693 -14.058   7.299
  675    HG   SER  88           HG       SER  88   5.986 -14.829   5.068
  676    H    ASP  89           HN       ASP  89   7.028 -11.022   6.985
  677    HA   ASP  89           HA       ASP  89   5.251  -9.836   8.823
  678   1HB   ASP  89          HB2       ASP  89   7.855  -8.760   7.719
  679   2HB   ASP  89          HB3       ASP  89   7.029  -8.161   9.154
  680    H    GLN  90           HN       GLN  90   6.010  -9.159   5.505
  681    HA   GLN  90           HA       GLN  90   4.752  -6.551   5.533
  682   1HB   GLN  90          HB2       GLN  90   5.941  -8.231   3.326
  683   2HB   GLN  90          HB3       GLN  90   5.204  -6.659   3.049
  684   1HG   GLN  90          HG2       GLN  90   6.978  -6.175   5.098
  685   2HG   GLN  90          HG3       GLN  90   7.829  -7.338   4.085
  686   1HE2  GLN  90          HE21      GLN  90   6.458  -6.420   1.661
  687   2HE2  GLN  90          HE22      GLN  90   7.199  -4.917   1.243
  688    H    ALA  91           HN       ALA  91   4.088  -9.731   4.103
  689    HA   ALA  91           HA       ALA  91   1.699  -9.078   2.810
  690   1HB   ALA  91          HB1       ALA  91   1.279 -11.452   2.717
  691   2HB   ALA  91          HB2       ALA  91   2.992 -11.143   2.433
  692   3HB   ALA  91          HB3       ALA  91   2.452 -11.741   4.001
  693    H    ALA  92           HN       ALA  92   2.353  -9.432   6.157
  694    HA   ALA  92           HA       ALA  92  -0.285 -10.198   6.971
  695   1HB   ALA  92          HB1       ALA  92   0.494  -9.780   9.231
  696   2HB   ALA  92          HB2       ALA  92   1.679 -10.722   8.326
  697   3HB   ALA  92          HB3       ALA  92   1.946  -9.002   8.601
  698    H    VAL  93           HN       VAL  93   1.427  -7.106   6.701
  699    HA   VAL  93           HA       VAL  93  -0.810  -5.697   7.885
  700    HB   VAL  93           HB       VAL  93   1.780  -5.123   7.985
  701   1HG1  VAL  93          HG11      VAL  93   1.914  -4.730   5.531
  702   2HG1  VAL  93          HG12      VAL  93   0.838  -3.347   5.741
  703   3HG1  VAL  93          HG13      VAL  93   2.427  -3.353   6.508
  704   1HG2  VAL  93          HG21      VAL  93  -0.425  -3.075   7.895
  705   2HG2  VAL  93          HG22      VAL  93   0.030  -4.060   9.286
  706   3HG2  VAL  93          HG23      VAL  93   1.153  -2.857   8.653
  707    H    ILE  94           HN       ILE  94   0.357  -6.439   4.693
  708    HA   ILE  94           HA       ILE  94  -1.194  -4.386   3.393
  709    HB   ILE  94           HB       ILE  94   0.019  -6.812   2.082
  710   1HG1  ILE  94          HG12      ILE  94   1.356  -4.124   2.356
  711   2HG1  ILE  94          HG13      ILE  94   1.623  -5.420   3.519
  712   1HG2  ILE  94          HG21      ILE  94   0.131  -5.285   0.125
  713   2HG2  ILE  94          HG22      ILE  94  -1.518  -5.611   0.666
  714   3HG2  ILE  94          HG23      ILE  94  -0.745  -4.077   1.066
  715   1HD1  ILE  94          HD11      ILE  94   3.363  -5.290   1.793
  716   2HD1  ILE  94          HD12      ILE  94   2.512  -6.834   1.789
  717   3HD1  ILE  94          HD13      ILE  94   2.141  -5.621   0.565
  718    H    SER  95           HN       SER  95  -1.520  -7.883   3.920
  719    HA   SER  95           HA       SER  95  -3.772  -8.361   2.357
  720   1HB   SER  95          HB2       SER  95  -2.472 -10.147   3.449
  721   2HB   SER  95          HB3       SER  95  -3.076  -9.625   5.021
  722    HG   SER  95           HG       SER  95  -5.221  -9.960   3.661
  723    H    LYS  96           HN       LYS  96  -3.476  -6.477   5.151
  724    HA   LYS  96           HA       LYS  96  -6.201  -6.715   6.050
  725   1HB   LYS  96          HB2       LYS  96  -4.107  -4.680   6.827
  726   2HB   LYS  96          HB3       LYS  96  -5.588  -5.054   7.700
  727   1HG   LYS  96          HG2       LYS  96  -4.802  -7.157   8.359
  728   2HG   LYS  96          HG3       LYS  96  -3.474  -7.120   7.199
  729   1HD   LYS  96          HD2       LYS  96  -2.493  -6.679   9.295
  730   2HD   LYS  96          HD3       LYS  96  -2.604  -5.112   8.491
  731   1HE   LYS  96          HE2       LYS  96  -4.692  -4.664   9.731
  732   2HE   LYS  96          HE3       LYS  96  -4.489  -6.195  10.582
  733   1HZ   LYS  96          HZ1       LYS  96  -2.652  -3.864  10.688
  734   2HZ   LYS  96          HZ2       LYS  96  -2.362  -5.352  11.437
  735   3HZ   LYS  96          HZ3       LYS  96  -3.671  -4.401  11.928
  736    H    PHE  97           HN       PHE  97  -4.989  -5.354   3.382
  737    HA   PHE  97           HA       PHE  97  -5.870  -2.728   3.322
  738   1HB   PHE  97          HB2       PHE  97  -6.074  -3.127   0.787
  739   2HB   PHE  97          HB3       PHE  97  -4.501  -3.283   1.550
  740    HD1  PHE  97           HD1      PHE  97  -3.956  -4.414  -0.626
  741    HD2  PHE  97           HD2      PHE  97  -6.669  -6.091   2.192
  742    HE1  PHE  97           HE1      PHE  97  -3.658  -6.628  -1.660
  743    HE2  PHE  97           HE2      PHE  97  -6.368  -8.306   1.156
  744    HZ   PHE  97           HZ       PHE  97  -4.863  -8.572  -0.764
  745    H    TRP  98           HN       TRP  98  -7.930  -5.204   3.963
  746    HA   TRP  98           HA       TRP  98 -10.156  -3.610   2.916
  747   1HB   TRP  98          HB2       TRP  98 -11.432  -5.714   2.430
  748   2HB   TRP  98          HB3       TRP  98 -10.076  -5.400   1.356
  749    HD1  TRP  98           HD1      TRP  98  -8.422  -7.310   1.025
  750    HE1  TRP  98           HE1      TRP  98  -8.007  -9.596   2.124
  751    HE3  TRP  98           HE3      TRP  98 -11.673  -6.929   4.955
  752    HZ2  TRP  98           HZ2      TRP  98  -8.934 -11.047   4.345
  753    HZ3  TRP  98           HZ3      TRP  98 -11.850  -8.820   6.519
  754    HH2  TRP  98           HH2      TRP  98 -10.509 -10.838   6.220
  755    H    LYS  99           HN       LYS  99  -8.734  -5.052   5.568
  756    HA   LYS  99           HA       LYS  99 -11.287  -5.283   6.992
  757   1HB   LYS  99          HB2       LYS  99 -10.027  -6.460   8.730
  758   2HB   LYS  99          HB3       LYS  99  -9.825  -7.226   7.165
  759   1HG   LYS  99          HG2       LYS  99  -7.674  -7.268   7.899
  760   2HG   LYS  99          HG3       LYS  99  -7.677  -5.715   7.064
  761   1HD   LYS  99          HD2       LYS  99  -6.587  -5.563   9.254
  762   2HD   LYS  99          HD3       LYS  99  -8.038  -4.563   9.185
  763   1HE   LYS  99          HE2       LYS  99  -9.291  -6.329  10.337
  764   2HE   LYS  99          HE3       LYS  99  -7.823  -7.300  10.433
  765   1HZ   LYS  99          HZ1       LYS  99  -8.219  -4.635  11.686
  766   2HZ   LYS  99          HZ2       LYS  99  -6.809  -5.564  11.778
  767   3HZ   LYS  99          HZ3       LYS  99  -8.234  -6.120  12.498
  768    H    SER 100           HN       SER 100  -8.362  -3.436   6.790
  769    HA   SER 100           HA       SER 100  -8.502  -2.135   9.296
  770   1HB   SER 100          HB2       SER 100  -6.959  -0.488   8.291
  771   2HB   SER 100          HB3       SER 100  -6.452  -2.142   7.955
  772    HG   SER 100           HG       SER 100  -6.734  -0.315   6.197
  773    H    HIS 101           HN       HIS 101 -10.376  -1.864   6.480
  774    HA   HIS 101           HA       HIS 101 -11.450   0.739   7.352
  775   1HB   HIS 101          HB2       HIS 101 -10.403   0.569   5.034
  776   2HB   HIS 101          HB3       HIS 101 -11.753  -0.473   4.602
  777    HD1  HIS 101           HD1      HIS 101 -11.075   3.073   5.747
  778    HD2  HIS 101           HD2      HIS 101 -14.021   0.849   3.838
  779    HE1  HIS 101           HE1      HIS 101 -12.776   4.749   4.956
  780    HE2  HIS 101           HE2      HIS 101 -14.504   3.387   3.727
  781    H    LYS 102           HN       LYS 102 -12.047  -2.258   7.961
  782    HA   LYS 102           HA       LYS 102 -14.958  -2.072   7.536
  783   1HB   LYS 102          HB2       LYS 102 -13.997  -3.885   6.221
  784   2HB   LYS 102          HB3       LYS 102 -13.223  -4.544   7.655
  785   1HG   LYS 102          HG2       LYS 102 -15.443  -4.970   8.630
  786   2HG   LYS 102          HG3       LYS 102 -16.186  -4.369   7.146
  787   1HD   LYS 102          HD2       LYS 102 -14.283  -6.707   7.295
  788   2HD   LYS 102          HD3       LYS 102 -16.041  -6.844   7.240
  789   1HE   LYS 102          HE2       LYS 102 -14.308  -5.567   5.125
  790   2HE   LYS 102          HE3       LYS 102 -15.019  -7.178   5.032
  791   1HZ   LYS 102          HZ1       LYS 102 -17.209  -6.199   5.089
  792   2HZ   LYS 102          HZ2       LYS 102 -16.319  -5.521   3.822
  793   3HZ   LYS 102          HZ3       LYS 102 -16.557  -4.647   5.250
  794    H    THR 103           HN       THR 103 -12.366  -2.652   9.774
  795    HA   THR 103           HA       THR 103 -13.947  -3.734  11.882
  796    HB   THR 103           HB       THR 103 -11.992  -3.221  13.326
  797    HG1  THR 103           HG1      THR 103 -10.884  -1.547  12.601
  798   1HG2  THR 103          HG21      THR 103 -12.022  -5.331  12.166
  799   2HG2  THR 103          HG22      THR 103 -10.381  -4.685  12.111
  800   3HG2  THR 103          HG23      THR 103 -11.420  -4.577  10.691
  801    H    LYS 104           HN       LYS 104 -15.605  -2.575  12.640
  802    HA   LYS 104           HA       LYS 104 -16.797  -0.918  13.635
  803   1HB   LYS 104          HB2       LYS 104 -14.035  -0.162  14.592
  804   2HB   LYS 104          HB3       LYS 104 -15.510   0.588  15.185
  805   1HG   LYS 104          HG2       LYS 104 -15.023  -1.018  16.788
  806   2HG   LYS 104          HG3       LYS 104 -16.246  -1.797  15.783
  807   1HD   LYS 104          HD2       LYS 104 -14.496  -2.998  14.573
  808   2HD   LYS 104          HD3       LYS 104 -13.263  -2.199  15.551
  809   1HE   LYS 104          HE2       LYS 104 -13.697  -4.450  16.371
  810   2HE   LYS 104          HE3       LYS 104 -14.181  -3.244  17.561
  811   1HZ   LYS 104          HZ1       LYS 104 -15.836  -4.985  17.357
  812   2HZ   LYS 104          HZ2       LYS 104 -16.004  -4.675  15.703
  813   3HZ   LYS 104          HZ3       LYS 104 -16.475  -3.507  16.833
  814    H    ILE 105           HN       ILE 105 -16.074  -0.471  10.916
  815    HA   ILE 105           HA       ILE 105 -16.132   2.467  10.900
  816    HB   ILE 105           HB       ILE 105 -14.540   0.784   8.964
  817   1HG1  ILE 105          HG12      ILE 105 -13.518   2.884  10.864
  818   2HG1  ILE 105          HG13      ILE 105 -13.633   1.190  11.334
  819   1HG2  ILE 105          HG21      ILE 105 -13.782   3.011   8.126
  820   2HG2  ILE 105          HG22      ILE 105 -15.483   2.664   7.812
  821   3HG2  ILE 105          HG23      ILE 105 -15.032   3.751   9.126
  822   1HD1  ILE 105          HD11      ILE 105 -12.125   0.581   9.533
  823   2HD1  ILE 105          HD12      ILE 105 -12.031   2.269   9.031
  824   3HD1  ILE 105          HD13      ILE 105 -11.391   1.778  10.600
  825    H    ARG 106           HN       ARG 106 -16.053   0.355   8.088
  826    HA   ARG 106           HA       ARG 106 -17.514   0.047   6.374
  827   1HB   ARG 106          HB2       ARG 106 -19.511   0.151   8.641
  828   2HB   ARG 106          HB3       ARG 106 -19.882  -0.387   7.009
  829   1HG   ARG 106          HG2       ARG 106 -17.749  -1.681   8.677
  830   2HG   ARG 106          HG3       ARG 106 -19.439  -2.180   8.739
  831   1HD   ARG 106          HD2       ARG 106 -18.279  -3.612   7.207
  832   2HD   ARG 106          HD3       ARG 106 -19.357  -2.566   6.286
  833    HE   ARG 106           HE       ARG 106 -16.668  -1.564   6.511
  834   1HH1  ARG 106          HH12      ARG 106 -18.831  -3.601   4.686
  835   2HH1  ARG 106          HH11      ARG 106 -17.896  -3.509   3.232
  836   1HH2  ARG 106          HH22      ARG 106 -15.432  -1.439   4.598
  837   2HH2  ARG 106          HH21      ARG 106 -15.966  -2.281   3.181
  838    H    GLU 107           HN       GLU 107 -16.981   2.864   7.527
  839    HA   GLU 107           HA       GLU 107 -18.892   4.202   5.766
  840   1HB   GLU 107          HB2       GLU 107 -18.357   5.022   8.628
  841   2HB   GLU 107          HB3       GLU 107 -19.217   6.010   7.455
  842   1HG   GLU 107          HG2       GLU 107 -20.951   4.321   7.270
  843   2HG   GLU 107          HG3       GLU 107 -20.081   3.285   8.401
  844    H    SER 108           HN       SER 108 -17.652   5.168   4.304
  845    HA   SER 108           HA       SER 108 -14.989   6.099   5.021
  846   1HB   SER 108          HB2       SER 108 -14.745   6.503   2.574
  847   2HB   SER 108          HB3       SER 108 -15.187   4.839   2.954
  848    HG   SER 108           HG       SER 108 -16.888   5.111   1.774
  Start of MODEL   19
    1   1H    MET   1          H1        MET   1  16.629  -2.890   0.159
    2   2H    MET   1          H2        MET   1  17.259  -1.906  -1.063
    3   3H    MET   1          H3        MET   1  18.102  -3.287  -0.571
    4    HA   MET   1           HA       MET   1  15.448  -3.267  -1.883
    5   1HB   MET   1          HB2       MET   1  17.301  -2.607  -3.383
    6   2HB   MET   1          HB3       MET   1  18.148  -4.092  -2.971
    7   1HG   MET   1          HG2       MET   1  16.344  -5.404  -3.948
    8   2HG   MET   1          HG3       MET   1  15.474  -3.923  -4.341
    9   1HE   MET   1          HE1       MET   1  17.777  -2.282  -7.029
   10   2HE   MET   1          HE2       MET   1  16.276  -2.156  -6.112
   11   3HE   MET   1          HE3       MET   1  17.828  -1.991  -5.290
   12    H    ALA   2           HN       ALA   2  18.035  -5.045  -0.337
   13    HA   ALA   2           HA       ALA   2  16.827  -7.620  -0.830
   14   1HB   ALA   2          HB1       ALA   2  18.637  -8.452   0.679
   15   2HB   ALA   2          HB2       ALA   2  19.213  -7.553  -0.725
   16   3HB   ALA   2          HB3       ALA   2  19.177  -6.782   0.861
   17    H    ALA   3           HN       ALA   3  17.458  -5.653   2.083
   18    HA   ALA   3           HA       ALA   3  15.388  -7.195   3.489
   19   1HB   ALA   3          HB1       ALA   3  17.485  -5.364   4.651
   20   2HB   ALA   3          HB2       ALA   3  16.371  -6.394   5.551
   21   3HB   ALA   3          HB3       ALA   3  17.619  -7.119   4.535
   22    H    GLY   4           HN       GLY   4  14.121  -5.883   5.136
   23   1HA   GLY   4          HA1       GLY   4  12.655  -3.889   3.762
   24   2HA   GLY   4          HA2       GLY   4  12.478  -4.311   5.458
   25    H    GLU   5           HN       GLU   5  14.088  -2.231   3.162
   26    HA   GLU   5           HA       GLU   5  15.484  -0.751   5.228
   27   1HB   GLU   5          HB2       GLU   5  15.187  -0.063   2.305
   28   2HB   GLU   5          HB3       GLU   5  16.351   0.600   3.442
   29   1HG   GLU   5          HG2       GLU   5  16.241  -2.245   2.475
   30   2HG   GLU   5          HG3       GLU   5  17.399  -1.013   1.974
   31    H    LEU   6           HN       LEU   6  12.428  -0.937   4.879
   32    HA   LEU   6           HA       LEU   6  11.882   1.949   4.768
   33   1HB   LEU   6          HB2       LEU   6   9.853  -0.268   4.566
   34   2HB   LEU   6          HB3       LEU   6   9.617   1.435   4.222
   35    HG   LEU   6           HG       LEU   6  11.439   1.023   2.380
   36   1HD1  LEU   6          HD11      LEU   6  11.138  -1.278   1.415
   37   2HD1  LEU   6          HD12      LEU   6  12.077  -1.200   2.903
   38   3HD1  LEU   6          HD13      LEU   6  10.401  -1.743   2.946
   39   1HD2  LEU   6          HD21      LEU   6   9.687   0.567   0.778
   40   2HD2  LEU   6          HD22      LEU   6   8.625  -0.015   2.061
   41   3HD2  LEU   6          HD23      LEU   6   9.094   1.685   2.009
   42    H    GLU   7           HN       GLU   7  12.560   2.292   6.898
   43    HA   GLU   7           HA       GLU   7  12.474   2.289   9.184
   44   1HB   GLU   7          HB2       GLU   7   9.504   2.510   8.759
   45   2HB   GLU   7          HB3       GLU   7  10.479   3.247  10.017
   46   1HG   GLU   7          HG2       GLU   7  11.605   4.583   8.221
   47   2HG   GLU   7          HG3       GLU   7  10.393   3.959   7.101
   48    H    GLY   8           HN       GLY   8   9.301   0.732   8.792
   49   1HA   GLY   8          HA1       GLY   8  10.234  -1.835   9.643
   50   2HA   GLY   8          HA2       GLY   8   9.446  -0.952  10.943
   51    H    GLY   9           HN       GLY   9   7.515  -1.901  11.203
   52   1HA   GLY   9          HA1       GLY   9   6.011  -2.869   8.920
   53   2HA   GLY   9          HA2       GLY   9   5.554  -3.013  10.611
   54    H    LYS  10           HN       LYS  10   6.124  -0.021  10.844
   55    HA   LYS  10           HA       LYS  10   3.482   0.867  10.658
   56   1HB   LYS  10          HB2       LYS  10   5.150   1.888  12.136
   57   2HB   LYS  10          HB3       LYS  10   6.012   2.516  10.740
   58   1HG   LYS  10          HG2       LYS  10   4.109   3.912  10.164
   59   2HG   LYS  10          HG3       LYS  10   3.198   3.250  11.524
   60   1HD   LYS  10          HD2       LYS  10   4.093   5.396  12.152
   61   2HD   LYS  10          HD3       LYS  10   4.937   4.137  13.056
   62   1HE   LYS  10          HE2       LYS  10   6.482   5.844  12.218
   63   2HE   LYS  10          HE3       LYS  10   6.814   4.262  11.516
   64   1HZ   LYS  10          HZ1       LYS  10   5.640   4.939   9.519
   65   2HZ   LYS  10          HZ2       LYS  10   6.904   6.012   9.854
   66   3HZ   LYS  10          HZ3       LYS  10   5.307   6.454  10.194
   67    HA   PRO  11           HA       PRO  11   4.802   3.276   6.611
   68   1HB   PRO  11          HB2       PRO  11   6.781   2.032   5.170
   69   2HB   PRO  11          HB3       PRO  11   7.062   3.394   6.261
   70   1HG   PRO  11          HG2       PRO  11   7.424   0.464   6.758
   71   2HG   PRO  11          HG3       PRO  11   8.478   1.817   7.213
   72   1HD   PRO  11          HD2       PRO  11   6.852   0.667   8.998
   73   2HD   PRO  11          HD3       PRO  11   7.136   2.421   9.010
   74    H    LEU  12           HN       LEU  12   5.769  -0.126   6.182
   75    HA   LEU  12           HA       LEU  12   4.448  -0.638   3.824
   76   1HB   LEU  12          HB2       LEU  12   6.008  -2.094   5.430
   77   2HB   LEU  12          HB3       LEU  12   4.461  -2.802   5.848
   78    HG   LEU  12           HG       LEU  12   4.128  -3.120   3.319
   79   1HD1  LEU  12          HD11      LEU  12   6.207  -3.332   2.037
   80   2HD1  LEU  12          HD12      LEU  12   5.924  -1.674   2.570
   81   3HD1  LEU  12          HD13      LEU  12   7.108  -2.679   3.405
   82   1HD2  LEU  12          HD21      LEU  12   5.378  -5.223   3.353
   83   2HD2  LEU  12          HD22      LEU  12   6.250  -4.680   4.786
   84   3HD2  LEU  12          HD23      LEU  12   4.510  -4.957   4.866
   85    H    SER  13           HN       SER  13   3.123  -0.438   7.044
   86    HA   SER  13           HA       SER  13   0.662  -1.743   6.504
   87   1HB   SER  13          HB2       SER  13   1.382  -1.468   8.791
   88   2HB   SER  13          HB3       SER  13   1.419   0.289   8.616
   89    HG   SER  13           HG       SER  13  -0.734   0.362   8.681
   90    H    GLY  14           HN       GLY  14   1.443   1.728   6.804
   91   1HA   GLY  14          HA1       GLY  14  -1.050   2.381   5.410
   92   2HA   GLY  14          HA2       GLY  14  -0.005   3.518   6.253
   93    H    LEU  15           HN       LEU  15   1.195   1.141   4.009
   94    HA   LEU  15           HA       LEU  15   2.544   3.108   2.449
   95   1HB   LEU  15          HB2       LEU  15   2.807   0.407   2.891
   96   2HB   LEU  15          HB3       LEU  15   2.220   0.461   1.244
   97    HG   LEU  15           HG       LEU  15   4.607   0.389   1.175
   98   1HD1  LEU  15          HD11      LEU  15   3.103   2.312  -0.059
   99   2HD1  LEU  15          HD12      LEU  15   4.425   3.246   0.639
  100   3HD1  LEU  15          HD13      LEU  15   4.772   1.902  -0.451
  101   1HD2  LEU  15          HD21      LEU  15   4.487   2.680   3.123
  102   2HD2  LEU  15          HD22      LEU  15   5.256   1.110   3.335
  103   3HD2  LEU  15          HD23      LEU  15   5.936   2.277   2.204
  104    H    LEU  16           HN       LEU  16   0.097   0.695   1.477
  105    HA   LEU  16           HA       LEU  16  -0.463   1.724  -1.029
  106   1HB   LEU  16          HB2       LEU  16  -2.572   0.496   0.740
  107   2HB   LEU  16          HB3       LEU  16  -2.485   0.458  -1.010
  108    HG   LEU  16           HG       LEU  16  -1.873  -1.688  -0.471
  109   1HD1  LEU  16          HD11      LEU  16   0.493  -1.959  -0.863
  110   2HD1  LEU  16          HD12      LEU  16  -0.126  -0.646  -1.863
  111   3HD1  LEU  16          HD13      LEU  16   0.796  -0.284  -0.404
  112   1HD2  LEU  16          HD21      LEU  16  -1.622  -0.838   2.059
  113   2HD2  LEU  16          HD22      LEU  16  -1.086  -2.425   1.506
  114   3HD2  LEU  16          HD23      LEU  16   0.076  -1.110   1.666
  115    H    ASN  17           HN       ASN  17  -1.248   2.948   2.056
  116    HA   ASN  17           HA       ASN  17  -3.476   4.571   1.305
  117   1HB   ASN  17          HB2       ASN  17  -1.649   4.475   3.699
  118   2HB   ASN  17          HB3       ASN  17  -2.900   5.710   3.537
  119   1HD2  ASN  17          HD21      ASN  17  -2.589   3.551   5.491
  120   2HD2  ASN  17          HD22      ASN  17  -4.048   2.628   5.409
  121    H    ALA  18           HN       ALA  18  -0.009   5.160   1.797
  122    HA   ALA  18           HA       ALA  18  -0.171   7.953   1.168
  123   1HB   ALA  18          HB1       ALA  18   1.574   7.276   2.613
  124   2HB   ALA  18          HB2       ALA  18   2.148   6.063   1.469
  125   3HB   ALA  18          HB3       ALA  18   2.332   7.778   1.104
  126    H    LEU  19           HN       LEU  19   0.678   5.017  -0.567
  127    HA   LEU  19           HA       LEU  19   1.826   6.051  -2.859
  128   1HB   LEU  19          HB2       LEU  19   0.041   3.635  -2.572
  129   2HB   LEU  19          HB3       LEU  19   1.059   3.972  -3.961
  130    HG   LEU  19           HG       LEU  19   2.144   3.613  -1.172
  131   1HD1  LEU  19          HD11      LEU  19   0.992   1.570  -1.956
  132   2HD1  LEU  19          HD12      LEU  19   2.030   1.566  -3.381
  133   3HD1  LEU  19          HD13      LEU  19   2.733   1.360  -1.776
  134   1HD2  LEU  19          HD21      LEU  19   3.583   4.863  -2.674
  135   2HD2  LEU  19          HD22      LEU  19   4.258   3.264  -2.364
  136   3HD2  LEU  19          HD23      LEU  19   3.443   3.594  -3.892
  137    H    ALA  20           HN       ALA  20  -1.394   6.388  -1.798
  138    HA   ALA  20           HA       ALA  20  -2.744   6.545  -4.265
  139   1HB   ALA  20          HB1       ALA  20  -4.489   7.729  -3.036
  140   2HB   ALA  20          HB2       ALA  20  -3.915   6.328  -2.131
  141   3HB   ALA  20          HB3       ALA  20  -3.390   7.948  -1.674
  142    H    GLN  21           HN       GLN  21  -1.574   7.735  -5.749
  143    HA   GLN  21           HA       GLN  21  -0.430  10.257  -5.313
  144   1HB   GLN  21          HB2       GLN  21  -0.811   8.476  -7.513
  145   2HB   GLN  21          HB3       GLN  21  -1.294  10.088  -8.019
  146   1HG   GLN  21          HG2       GLN  21   1.015   9.751  -8.550
  147   2HG   GLN  21          HG3       GLN  21   0.889  10.947  -7.261
  148   1HE2  GLN  21          HE21      GLN  21   2.999  10.585  -6.597
  149   2HE2  GLN  21          HE22      GLN  21   3.467   9.158  -5.744
  150    H    ASP  22           HN       ASP  22  -3.421   9.540  -7.128
  151    HA   ASP  22           HA       ASP  22  -4.520  12.083  -6.139
  152   1HB   ASP  22          HB2       ASP  22  -4.825  11.004  -8.948
  153   2HB   ASP  22          HB3       ASP  22  -5.535  12.492  -8.327
  154    H    THR  23           HN       THR  23  -6.138  11.550  -4.830
  155    HA   THR  23           HA       THR  23  -7.560   9.108  -4.949
  156    HB   THR  23           HB       THR  23  -9.056  10.088  -3.264
  157    HG1  THR  23           HG1      THR  23  -8.742  12.304  -4.346
  158   1HG2  THR  23          HG21      THR  23  -7.385  10.532  -1.538
  159   2HG2  THR  23          HG22      THR  23  -6.153  10.768  -2.779
  160   3HG2  THR  23          HG23      THR  23  -6.888   9.180  -2.557
  161    H    PHE  24           HN       PHE  24  -7.821  11.945  -6.759
  162    HA   PHE  24           HA       PHE  24  -9.272  12.673  -8.345
  163   1HB   PHE  24          HB2       PHE  24  -9.129  10.292  -9.090
  164   2HB   PHE  24          HB3       PHE  24 -10.545   9.939  -8.105
  165    HD1  PHE  24           HD1      PHE  24 -12.726  10.456  -8.857
  166    HD2  PHE  24           HD2      PHE  24  -9.333  11.804 -11.042
  167    HE1  PHE  24           HE1      PHE  24 -14.189  11.088 -10.731
  168    HE2  PHE  24           HE2      PHE  24 -10.789  12.439 -12.920
  169    HZ   PHE  24           HZ       PHE  24 -13.220  12.082 -12.767
  170    H    HIS  25           HN       HIS  25 -10.404  14.274  -7.412
  171    HA   HIS  25           HA       HIS  25 -12.114  15.403  -6.437
  172   1HB   HIS  25          HB2       HIS  25 -13.469  14.169  -8.098
  173   2HB   HIS  25          HB3       HIS  25 -13.678  12.861  -6.939
  174    HD1  HIS  25           HD1      HIS  25 -14.887  16.278  -7.778
  175    HD2  HIS  25           HD2      HIS  25 -15.464  13.417  -4.820
  176    HE1  HIS  25           HE1      HIS  25 -16.927  17.024  -6.509
  177    HE2  HIS  25           HE2      HIS  25 -17.195  15.331  -4.662
  178    H    GLY  26           HN       GLY  26 -11.277  15.619  -4.391
  179   1HA   GLY  26          HA1       GLY  26 -12.718  14.553  -2.249
  180   2HA   GLY  26          HA2       GLY  26 -11.258  13.590  -2.428
  181    H    TYR  27           HN       TYR  27  -9.960  14.180  -0.805
  182    HA   TYR  27           HA       TYR  27  -9.677  17.037  -0.199
  183   1HB   TYR  27          HB2       TYR  27  -8.840  14.609   1.399
  184   2HB   TYR  27          HB3       TYR  27  -8.614  16.281   1.904
  185    HD1  TYR  27           HD1      TYR  27 -10.434  17.566   2.782
  186    HD2  TYR  27           HD2      TYR  27 -11.102  13.634   1.302
  187    HE1  TYR  27           HE1      TYR  27 -12.662  17.559   3.823
  188    HE2  TYR  27           HE2      TYR  27 -13.332  13.617   2.337
  189    HH   TYR  27           HH       TYR  27 -14.830  16.404   3.523
  190    HA   PRO  28           HA       PRO  28  -5.613  16.885  -2.019
  191   1HB   PRO  28          HB2       PRO  28  -4.760  19.333  -1.383
  192   2HB   PRO  28          HB3       PRO  28  -6.099  19.102  -2.516
  193   1HG   PRO  28          HG2       PRO  28  -6.171  19.860   0.376
  194   2HG   PRO  28          HG3       PRO  28  -7.135  20.490  -0.971
  195   1HD   PRO  28          HD2       PRO  28  -7.998  18.571   0.825
  196   2HD   PRO  28          HD3       PRO  28  -8.671  18.811  -0.798
  197    H    GLY  29           HN       GLY  29  -6.133  16.064   0.938
  198   1HA   GLY  29          HA1       GLY  29  -3.750  16.896   2.320
  199   2HA   GLY  29          HA2       GLY  29  -4.914  15.703   2.871
  200    H    ILE  30           HN       ILE  30  -3.917  15.002  -0.258
  201    HA   ILE  30           HA       ILE  30  -1.549  13.516   0.519
  202    HB   ILE  30           HB       ILE  30  -3.334  11.958   1.104
  203   1HG1  ILE  30          HG12      ILE  30  -2.662  10.070  -0.477
  204   2HG1  ILE  30          HG13      ILE  30  -1.690  11.265  -1.331
  205   1HG2  ILE  30          HG21      ILE  30  -4.845  11.054  -0.582
  206   2HG2  ILE  30          HG22      ILE  30  -5.065  12.793  -0.395
  207   3HG2  ILE  30          HG23      ILE  30  -4.178  12.160  -1.782
  208   1HD1  ILE  30          HD11      ILE  30  -1.387  10.463   1.553
  209   2HD1  ILE  30          HD12      ILE  30  -0.332  10.001   0.218
  210   3HD1  ILE  30          HD13      ILE  30  -0.428  11.688   0.723
  211    H    THR  31           HN       THR  31  -0.115  13.480  -1.084
  212    HA   THR  31           HA       THR  31  -0.971  13.495  -3.859
  213    HB   THR  31           HB       THR  31  -0.803  15.920  -3.119
  214    HG1  THR  31           HG1      THR  31   0.787  16.290  -5.026
  215   1HG2  THR  31          HG21      THR  31   2.166  15.408  -3.197
  216   2HG2  THR  31          HG22      THR  31   1.244  15.544  -1.704
  217   3HG2  THR  31          HG23      THR  31   1.340  16.916  -2.805
  218    H    GLU  32           HN       GLU  32   1.544  14.117  -4.981
  219    HA   GLU  32           HA       GLU  32   2.859  11.616  -4.624
  220   1HB   GLU  32          HB2       GLU  32   2.783  12.733  -6.804
  221   2HB   GLU  32          HB3       GLU  32   3.723  14.072  -6.162
  222   1HG   GLU  32          HG2       GLU  32   5.608  12.554  -5.780
  223   2HG   GLU  32          HG3       GLU  32   4.663  11.226  -6.454
  224    H    GLU  33           HN       GLU  33   3.766  14.973  -3.877
  225    HA   GLU  33           HA       GLU  33   6.260  14.296  -2.706
  226   1HB   GLU  33          HB2       GLU  33   4.522  16.753  -2.506
  227   2HB   GLU  33          HB3       GLU  33   6.083  16.626  -1.710
  228   1HG   GLU  33          HG2       GLU  33   6.327  17.821  -3.776
  229   2HG   GLU  33          HG3       GLU  33   7.147  16.265  -3.898
  230    H    LEU  34           HN       LEU  34   3.027  14.177  -1.578
  231    HA   LEU  34           HA       LEU  34   3.715  14.268   1.230
  232   1HB   LEU  34          HB2       LEU  34   1.150  13.760  -0.250
  233   2HB   LEU  34          HB3       LEU  34   1.275  13.625   1.492
  234    HG   LEU  34           HG       LEU  34   1.951  16.148  -0.009
  235   1HD1  LEU  34          HD11      LEU  34  -0.383  15.519  -0.398
  236   2HD1  LEU  34          HD12      LEU  34  -0.635  15.406   1.344
  237   3HD1  LEU  34          HD13      LEU  34  -0.246  16.961   0.608
  238   1HD2  LEU  34          HD21      LEU  34   1.680  17.186   2.187
  239   2HD2  LEU  34          HD22      LEU  34   1.344  15.607   2.898
  240   3HD2  LEU  34          HD23      LEU  34   2.936  15.947   2.218
  241    H    LEU  35           HN       LEU  35   2.874  11.849  -1.187
  242    HA   LEU  35           HA       LEU  35   2.310   9.641   0.277
  243   1HB   LEU  35          HB2       LEU  35   2.602   8.518  -1.643
  244   2HB   LEU  35          HB3       LEU  35   2.814  10.114  -2.323
  245    HG   LEU  35           HG       LEU  35   5.363   9.637  -1.739
  246   1HD1  LEU  35          HD11      LEU  35   4.887   7.465  -0.688
  247   2HD1  LEU  35          HD12      LEU  35   4.240   6.881  -2.220
  248   3HD1  LEU  35          HD13      LEU  35   5.945   7.313  -2.091
  249   1HD2  LEU  35          HD21      LEU  35   3.958   8.458  -4.133
  250   2HD2  LEU  35          HD22      LEU  35   4.428  10.148  -3.953
  251   3HD2  LEU  35          HD23      LEU  35   5.664   8.892  -4.029
  252    H    ARG  36           HN       ARG  36   5.447  11.150  -0.083
  253    HA   ARG  36           HA       ARG  36   6.851   9.006   1.251
  254   1HB   ARG  36          HB2       ARG  36   8.260  10.013  -0.251
  255   2HB   ARG  36          HB3       ARG  36   7.584  11.614   0.014
  256   1HG   ARG  36          HG2       ARG  36   8.720  11.623   2.249
  257   2HG   ARG  36          HG3       ARG  36   9.527  10.127   1.766
  258   1HD   ARG  36          HD2       ARG  36  10.685  11.199   0.027
  259   2HD   ARG  36          HD3       ARG  36   9.641  12.616   0.091
  260    HE   ARG  36           HE       ARG  36  11.266  12.041   2.442
  261   1HH1  ARG  36          HH12      ARG  36  10.777  13.933  -0.445
  262   2HH1  ARG  36          HH11      ARG  36  11.869  15.188   0.039
  263   1HH2  ARG  36          HH22      ARG  36  12.704  13.691   3.085
  264   2HH2  ARG  36          HH21      ARG  36  12.963  15.051   2.043
  265    H    SER  37           HN       SER  37   6.420  12.461   1.987
  266    HA   SER  37           HA       SER  37   7.402  12.387   4.584
  267   1HB   SER  37          HB2       SER  37   5.386  14.280   3.368
  268   2HB   SER  37          HB3       SER  37   6.247  14.557   4.882
  269    HG   SER  37           HG       SER  37   8.074  13.961   3.102
  270    H    GLN  38           HN       GLN  38   4.343  11.281   3.440
  271    HA   GLN  38           HA       GLN  38   2.856  11.712   5.814
  272   1HB   GLN  38          HB2       GLN  38   2.463   9.931   3.430
  273   2HB   GLN  38          HB3       GLN  38   1.372   9.866   4.807
  274   1HG   GLN  38          HG2       GLN  38   1.929  12.251   3.058
  275   2HG   GLN  38          HG3       GLN  38   0.449  11.295   3.110
  276   1HE2  GLN  38          HE21      GLN  38  -0.948  11.516   4.860
  277   2HE2  GLN  38          HE22      GLN  38  -0.860  12.867   5.935
  278    H    LEU  39           HN       LEU  39   5.053   9.166   4.824
  279    HA   LEU  39           HA       LEU  39   4.729   7.993   7.485
  280   1HB   LEU  39          HB2       LEU  39   4.570   6.441   4.910
  281   2HB   LEU  39          HB3       LEU  39   4.826   5.698   6.477
  282    HG   LEU  39           HG       LEU  39   2.600   7.054   7.051
  283   1HD1  LEU  39          HD11      LEU  39   2.565   7.984   4.708
  284   2HD1  LEU  39          HD12      LEU  39   2.185   6.354   4.157
  285   3HD1  LEU  39          HD13      LEU  39   1.081   7.196   5.245
  286   1HD2  LEU  39          HD21      LEU  39   2.955   4.642   7.299
  287   2HD2  LEU  39          HD22      LEU  39   1.363   5.005   6.633
  288   3HD2  LEU  39          HD23      LEU  39   2.650   4.424   5.575
  289    H    TYR  40           HN       TYR  40   6.592   7.774   4.453
  290    HA   TYR  40           HA       TYR  40   8.983   7.226   6.080
  291   1HB   TYR  40          HB2       TYR  40   9.812   6.585   3.605
  292   2HB   TYR  40          HB3       TYR  40   9.028   5.440   4.681
  293    HD1  TYR  40           HD1      TYR  40   6.603   4.912   4.373
  294    HD2  TYR  40           HD2      TYR  40   8.773   7.282   1.582
  295    HE1  TYR  40           HE1      TYR  40   4.844   4.546   2.703
  296    HE2  TYR  40           HE2      TYR  40   7.018   6.914  -0.098
  297    HH   TYR  40           HH       TYR  40   5.239   5.318  -0.588
  298    HA   PRO  41           HA       PRO  41   9.785  11.419   4.367
  299   1HB   PRO  41          HB2       PRO  41  10.748  12.535   6.598
  300   2HB   PRO  41          HB3       PRO  41   9.009  12.317   6.366
  301   1HG   PRO  41          HG2       PRO  41  10.931  10.643   7.943
  302   2HG   PRO  41          HG3       PRO  41   9.310  11.208   8.395
  303   1HD   PRO  41          HD2       PRO  41   9.826   8.701   7.427
  304   2HD   PRO  41          HD3       PRO  41   8.269   9.527   7.230
  305    H    GLU  42           HN       GLU  42  11.555   8.805   5.218
  306    HA   GLU  42           HA       GLU  42  14.166  10.092   5.197
  307   1HB   GLU  42          HB2       GLU  42  15.015   7.750   5.477
  308   2HB   GLU  42          HB3       GLU  42  13.950   8.300   6.763
  309   1HG   GLU  42          HG2       GLU  42  12.108   7.053   5.819
  310   2HG   GLU  42          HG3       GLU  42  13.113   6.559   4.455
  311    H    VAL  43           HN       VAL  43  12.254   7.864   3.201
  312    HA   VAL  43           HA       VAL  43  14.301   7.922   1.129
  313    HB   VAL  43           HB       VAL  43  13.158   5.777   1.697
  314   1HG1  VAL  43          HG11      VAL  43  10.915   6.819   2.061
  315   2HG1  VAL  43          HG12      VAL  43  10.764   6.948   0.308
  316   3HG1  VAL  43          HG13      VAL  43  10.904   5.361   1.068
  317   1HG2  VAL  43          HG21      VAL  43  12.734   6.741  -1.130
  318   2HG2  VAL  43          HG22      VAL  43  14.239   6.090  -0.476
  319   3HG2  VAL  43          HG23      VAL  43  12.814   5.056  -0.613
  320    HA   PRO  44           HA       PRO  44  12.404  11.443  -0.882
  321   1HB   PRO  44          HB2       PRO  44  13.720  10.215  -3.259
  322   2HB   PRO  44          HB3       PRO  44  13.787  11.881  -2.670
  323   1HG   PRO  44          HG2       PRO  44  15.846  10.245  -2.304
  324   2HG   PRO  44          HG3       PRO  44  15.354  11.377  -1.032
  325   1HD   PRO  44          HD2       PRO  44  14.901   8.429  -1.224
  326   2HD   PRO  44          HD3       PRO  44  15.254   9.428   0.199
  327    HA   PRO  45           HA       PRO  45   8.779   9.788  -2.801
  328   1HB   PRO  45          HB2       PRO  45   8.722  12.120  -4.605
  329   2HB   PRO  45          HB3       PRO  45   7.571  11.639  -3.356
  330   1HG   PRO  45          HG2       PRO  45   9.156  13.760  -3.010
  331   2HG   PRO  45          HG3       PRO  45   8.774  12.669  -1.659
  332   1HD   PRO  45          HD2       PRO  45  11.236  12.757  -3.377
  333   2HD   PRO  45          HD3       PRO  45  11.110  12.640  -1.608
  334    H    GLU  46           HN       GLU  46  11.671  10.068  -4.373
  335    HA   GLU  46           HA       GLU  46  10.614   8.896  -6.860
  336   1HB   GLU  46          HB2       GLU  46  11.740  11.018  -7.264
  337   2HB   GLU  46          HB3       GLU  46  13.166  10.452  -6.407
  338   1HG   GLU  46          HG2       GLU  46  13.487   8.720  -8.116
  339   2HG   GLU  46          HG3       GLU  46  12.084   9.338  -8.985
  340    H    GLU  47           HN       GLU  47  13.031   8.655  -4.316
  341    HA   GLU  47           HA       GLU  47  14.358   6.376  -5.419
  342   1HB   GLU  47          HB2       GLU  47  14.344   7.516  -2.622
  343   2HB   GLU  47          HB3       GLU  47  15.371   6.185  -3.141
  344   1HG   GLU  47          HG2       GLU  47  16.216   7.795  -4.947
  345   2HG   GLU  47          HG3       GLU  47  15.471   9.059  -3.970
  346    H    PHE  48           HN       PHE  48  11.341   6.729  -4.128
  347    HA   PHE  48           HA       PHE  48  11.207   4.275  -2.638
  348   1HB   PHE  48          HB2       PHE  48   9.758   6.375  -2.308
  349   2HB   PHE  48          HB3       PHE  48   8.830   5.781  -3.683
  350    HD1  PHE  48           HD1      PHE  48  10.122   4.695  -0.365
  351    HD2  PHE  48           HD2      PHE  48   7.113   4.301  -3.340
  352    HE1  PHE  48           HE1      PHE  48   8.833   3.228   1.133
  353    HE2  PHE  48           HE2      PHE  48   5.821   2.832  -1.854
  354    HZ   PHE  48           HZ       PHE  48   6.742   2.259   0.405
  355    H    ARG  49           HN       ARG  49  10.876   5.198  -5.921
  356    HA   ARG  49           HA       ARG  49   9.102   3.313  -6.911
  357   1HB   ARG  49          HB2       ARG  49  10.100   5.248  -8.164
  358   2HB   ARG  49          HB3       ARG  49  11.563   4.293  -8.353
  359   1HG   ARG  49          HG2       ARG  49  10.357   4.046 -10.356
  360   2HG   ARG  49          HG3       ARG  49  10.135   2.538  -9.467
  361   1HD   ARG  49          HD2       ARG  49   8.023   3.223 -10.404
  362   2HD   ARG  49          HD3       ARG  49   7.960   3.388  -8.649
  363    HE   ARG  49           HE       ARG  49   8.686   5.855  -9.439
  364   1HH1  ARG  49          HH12      ARG  49   6.122   3.724 -10.458
  365   2HH1  ARG  49          HH11      ARG  49   5.049   5.014 -10.887
  366   1HH2  ARG  49          HH22      ARG  49   7.278   7.556 -10.002
  367   2HH2  ARG  49          HH21      ARG  49   5.703   7.190 -10.627
  368    HA   PRO  50           HA       PRO  50  13.000   0.401  -7.734
  369   1HB   PRO  50          HB2       PRO  50  14.773   0.606  -5.586
  370   2HB   PRO  50          HB3       PRO  50  15.048   1.211  -7.220
  371   1HG   PRO  50          HG2       PRO  50  14.127   2.662  -4.788
  372   2HG   PRO  50          HG3       PRO  50  15.183   3.220  -6.098
  373   1HD   PRO  50          HD2       PRO  50  12.630   4.007  -5.929
  374   2HD   PRO  50          HD3       PRO  50  13.397   3.696  -7.501
  375    H    PHE  51           HN       PHE  51  12.060   1.263  -4.396
  376    HA   PHE  51           HA       PHE  51  11.954  -1.557  -3.686
  377   1HB   PHE  51          HB2       PHE  51  12.496   0.714  -2.232
  378   2HB   PHE  51          HB3       PHE  51  10.842   0.341  -1.752
  379    HD1  PHE  51           HD1      PHE  51  10.573  -2.400  -1.479
  380    HD2  PHE  51           HD2      PHE  51  14.064  -0.072  -0.773
  381    HE1  PHE  51           HE1      PHE  51  11.413  -4.131   0.051
  382    HE2  PHE  51           HE2      PHE  51  14.910  -1.799   0.757
  383    HZ   PHE  51           HZ       PHE  51  13.584  -3.835   1.171
  384    H    LEU  52           HN       LEU  52   9.851   0.895  -4.795
  385    HA   LEU  52           HA       LEU  52   7.426  -0.285  -3.816
  386   1HB   LEU  52          HB2       LEU  52   7.652   2.137  -4.185
  387   2HB   LEU  52          HB3       LEU  52   7.863   1.852  -5.900
  388    HG   LEU  52           HG       LEU  52   5.585   0.939  -6.028
  389   1HD1  LEU  52          HD11      LEU  52   5.389   1.748  -3.133
  390   2HD1  LEU  52          HD12      LEU  52   4.063   1.170  -4.140
  391   3HD1  LEU  52          HD13      LEU  52   5.404   0.097  -3.745
  392   1HD2  LEU  52          HD21      LEU  52   5.931   3.280  -6.502
  393   2HD2  LEU  52          HD22      LEU  52   4.394   3.061  -5.659
  394   3HD2  LEU  52          HD23      LEU  52   5.803   3.674  -4.787
  395    H    ALA  53           HN       ALA  53   9.443  -0.613  -6.597
  396    HA   ALA  53           HA       ALA  53   7.729  -1.426  -8.581
  397   1HB   ALA  53          HB1       ALA  53  10.164  -1.233  -8.864
  398   2HB   ALA  53          HB2       ALA  53  10.383  -2.705  -7.917
  399   3HB   ALA  53          HB3       ALA  53   9.552  -2.771  -9.472
  400    H    LYS  54           HN       LYS  54   8.721  -3.144  -5.712
  401    HA   LYS  54           HA       LYS  54   7.317  -5.571  -6.474
  402   1HB   LYS  54          HB2       LYS  54   9.572  -5.446  -5.244
  403   2HB   LYS  54          HB3       LYS  54   8.637  -4.977  -3.831
  404   1HG   LYS  54          HG2       LYS  54   7.496  -7.057  -3.794
  405   2HG   LYS  54          HG3       LYS  54   8.148  -7.499  -5.372
  406   1HD   LYS  54          HD2       LYS  54   9.359  -8.674  -3.636
  407   2HD   LYS  54          HD3       LYS  54  10.420  -7.494  -4.404
  408   1HE   LYS  54          HE2       LYS  54   9.983  -5.933  -2.545
  409   2HE   LYS  54          HE3       LYS  54   8.989  -7.165  -1.769
  410   1HZ   LYS  54          HZ1       LYS  54  11.883  -7.417  -2.388
  411   2HZ   LYS  54          HZ2       LYS  54  10.931  -8.595  -1.635
  412   3HZ   LYS  54          HZ3       LYS  54  11.225  -7.123  -0.857
  413    H    MET  55           HN       MET  55   6.916  -2.717  -4.607
  414    HA   MET  55           HA       MET  55   4.514  -3.744  -3.261
  415   1HB   MET  55          HB2       MET  55   6.485  -1.569  -2.717
  416   2HB   MET  55          HB3       MET  55   4.825  -1.327  -2.176
  417   1HG   MET  55          HG2       MET  55   5.982  -3.945  -1.478
  418   2HG   MET  55          HG3       MET  55   6.749  -2.547  -0.724
  419   1HE   MET  55          HE1       MET  55   2.208  -3.326  -0.367
  420   2HE   MET  55          HE2       MET  55   2.973  -2.625  -1.794
  421   3HE   MET  55          HE3       MET  55   3.269  -4.312  -1.374
  422    H    ARG  56           HN       ARG  56   4.878  -2.785  -6.156
  423    HA   ARG  56           HA       ARG  56   3.010  -0.526  -6.179
  424   1HB   ARG  56          HB2       ARG  56   5.285  -1.000  -7.652
  425   2HB   ARG  56          HB3       ARG  56   4.011  -1.474  -8.763
  426   1HG   ARG  56          HG2       ARG  56   2.948   0.725  -8.438
  427   2HG   ARG  56          HG3       ARG  56   4.297   1.192  -7.400
  428   1HD   ARG  56          HD2       ARG  56   4.633   2.054  -9.637
  429   2HD   ARG  56          HD3       ARG  56   5.844   0.824  -9.273
  430    HE   ARG  56           HE       ARG  56   3.643  -0.366 -10.570
  431   1HH1  ARG  56          HH12      ARG  56   6.338   1.749 -11.209
  432   2HH1  ARG  56          HH11      ARG  56   6.467   1.293 -12.875
  433   1HH2  ARG  56          HH22      ARG  56   3.805  -0.973 -12.761
  434   2HH2  ARG  56          HH21      ARG  56   5.027  -0.254 -13.757
  435    H    GLY  57           HN       GLY  57   3.174  -3.904  -6.769
  436   1HA   GLY  57          HA1       GLY  57   1.043  -4.119  -8.639
  437   2HA   GLY  57          HA2       GLY  57   1.666  -5.415  -7.627
  438    H    ILE  58           HN       ILE  58   0.753  -2.696  -5.833
  439    HA   ILE  58           HA       ILE  58  -1.837  -3.944  -5.194
  440    HB   ILE  58           HB       ILE  58  -0.007  -2.426  -3.330
  441   1HG1  ILE  58          HG12      ILE  58  -0.049  -4.688  -2.109
  442   2HG1  ILE  58          HG13      ILE  58  -0.650  -5.361  -3.617
  443   1HG2  ILE  58          HG21      ILE  58  -1.639  -3.087  -1.597
  444   2HG2  ILE  58          HG22      ILE  58  -2.309  -1.989  -2.802
  445   3HG2  ILE  58          HG23      ILE  58  -2.689  -3.710  -2.869
  446   1HD1  ILE  58          HD11      ILE  58   1.784  -5.622  -3.311
  447   2HD1  ILE  58          HD12      ILE  58   1.368  -4.703  -4.757
  448   3HD1  ILE  58          HD13      ILE  58   1.946  -3.867  -3.318
  449    H    LEU  59           HN       LEU  59  -0.056  -0.869  -5.241
  450    HA   LEU  59           HA       LEU  59  -2.168   0.841  -4.681
  451   1HB   LEU  59          HB2       LEU  59   0.218   1.484  -4.739
  452   2HB   LEU  59          HB3       LEU  59   0.197   1.383  -6.487
  453    HG   LEU  59           HG       LEU  59   0.025   3.698  -5.372
  454   1HD1  LEU  59          HD11      LEU  59  -0.341   3.189  -7.778
  455   2HD1  LEU  59          HD12      LEU  59  -2.059   3.003  -7.429
  456   3HD1  LEU  59          HD13      LEU  59  -1.271   4.561  -7.179
  457   1HD2  LEU  59          HD21      LEU  59  -2.214   4.441  -4.803
  458   2HD2  LEU  59          HD22      LEU  59  -2.844   2.820  -5.088
  459   3HD2  LEU  59          HD23      LEU  59  -1.723   3.109  -3.757
  460    H    LYS  60           HN       LYS  60  -1.134  -0.478  -7.809
  461    HA   LYS  60           HA       LYS  60  -3.097   1.022  -9.268
  462   1HB   LYS  60          HB2       LYS  60  -1.977   0.336 -11.088
  463   2HB   LYS  60          HB3       LYS  60  -0.796  -0.313  -9.963
  464   1HG   LYS  60          HG2       LYS  60  -3.124  -1.913 -11.001
  465   2HG   LYS  60          HG3       LYS  60  -1.550  -1.861 -11.793
  466   1HD   LYS  60          HD2       LYS  60  -0.497  -2.714  -9.751
  467   2HD   LYS  60          HD3       LYS  60  -2.076  -2.773  -8.965
  468   1HE   LYS  60          HE2       LYS  60  -2.853  -4.390 -10.610
  469   2HE   LYS  60          HE3       LYS  60  -1.302  -4.306 -11.445
  470   1HZ   LYS  60          HZ1       LYS  60  -1.743  -5.286  -8.678
  471   2HZ   LYS  60          HZ2       LYS  60  -0.238  -5.165  -9.438
  472   3HZ   LYS  60          HZ3       LYS  60  -1.399  -6.242 -10.030
  473    H    SER  61           HN       SER  61  -3.128  -1.827  -7.427
  474    HA   SER  61           HA       SER  61  -5.262  -3.172  -8.780
  475   1HB   SER  61          HB2       SER  61  -4.171  -3.514  -5.973
  476   2HB   SER  61          HB3       SER  61  -5.309  -4.608  -6.761
  477    HG   SER  61           HG       SER  61  -3.686  -4.944  -8.380
  478    H    ILE  62           HN       ILE  62  -5.012  -1.082  -5.944
  479    HA   ILE  62           HA       ILE  62  -7.844  -1.236  -5.392
  480    HB   ILE  62           HB       ILE  62  -5.738   0.550  -4.165
  481   1HG1  ILE  62          HG12      ILE  62  -6.897  -1.999  -3.036
  482   2HG1  ILE  62          HG13      ILE  62  -5.397  -1.960  -3.959
  483   1HG2  ILE  62          HG21      ILE  62  -7.341   0.785  -2.321
  484   2HG2  ILE  62          HG22      ILE  62  -7.990   1.406  -3.838
  485   3HG2  ILE  62          HG23      ILE  62  -8.517  -0.163  -3.231
  486   1HD1  ILE  62          HD11      ILE  62  -5.923  -0.506  -1.378
  487   2HD1  ILE  62          HD12      ILE  62  -4.963  -1.972  -1.575
  488   3HD1  ILE  62          HD13      ILE  62  -4.421  -0.459  -2.301
  489    H    ALA  63           HN       ALA  63  -5.660   0.956  -7.029
  490    HA   ALA  63           HA       ALA  63  -7.584   3.111  -7.096
  491   1HB   ALA  63          HB1       ALA  63  -5.909   4.324  -8.359
  492   2HB   ALA  63          HB2       ALA  63  -5.185   3.572  -6.937
  493   3HB   ALA  63          HB3       ALA  63  -4.947   2.854  -8.531
  494    H    SER  64           HN       SER  64  -5.960   1.211  -9.649
  495    HA   SER  64           HA       SER  64  -7.648   2.152 -11.712
  496   1HB   SER  64          HB2       SER  64  -5.931  -0.335 -11.667
  497   2HB   SER  64          HB3       SER  64  -6.594   0.444 -13.103
  498    HG   SER  64           HG       SER  64  -4.999   1.799 -13.051
  499    H    ALA  65           HN       ALA  65  -7.794  -0.756  -9.690
  500    HA   ALA  65           HA       ALA  65 -10.181  -1.602 -11.175
  501   1HB   ALA  65          HB1       ALA  65  -8.402  -3.262 -10.932
  502   2HB   ALA  65          HB2       ALA  65  -8.549  -3.156  -9.178
  503   3HB   ALA  65          HB3       ALA  65  -9.892  -3.774 -10.141
  504    H    ASP  66           HN       ASP  66  -9.094  -0.815  -7.896
  505    HA   ASP  66           HA       ASP  66 -10.238  -0.437  -5.958
  506   1HB   ASP  66          HB2       ASP  66 -11.146   1.439  -7.224
  507   2HB   ASP  66          HB3       ASP  66 -12.383   0.400  -7.924
  508    H    MET  67           HN       MET  67 -10.307  -2.584  -5.279
  509    HA   MET  67           HA       MET  67 -12.635  -4.195  -5.983
  510   1HB   MET  67          HB2       MET  67 -10.266  -4.907  -4.247
  511   2HB   MET  67          HB3       MET  67 -11.479  -6.018  -4.871
  512   1HG   MET  67          HG2       MET  67  -9.672  -4.390  -6.633
  513   2HG   MET  67          HG3       MET  67  -9.275  -6.010  -6.068
  514   1HE   MET  67          HE1       MET  67  -9.047  -7.129  -8.450
  515   2HE   MET  67          HE2       MET  67 -10.135  -6.738  -9.782
  516   3HE   MET  67          HE3       MET  67  -9.153  -5.473  -9.046
  517    H    ASP  68           HN       ASP  68 -13.032  -5.711  -3.777
  518    HA   ASP  68           HA       ASP  68 -14.219  -3.786  -1.914
  519   1HB   ASP  68          HB2       ASP  68 -14.802  -6.719  -2.373
  520   2HB   ASP  68          HB3       ASP  68 -15.615  -5.712  -1.178
  521    H    PHE  69           HN       PHE  69 -13.274  -7.153  -1.332
  522    HA   PHE  69           HA       PHE  69 -11.063  -6.511   0.341
  523   1HB   PHE  69          HB2       PHE  69 -12.007  -7.138   2.497
  524   2HB   PHE  69          HB3       PHE  69 -12.889  -5.771   1.828
  525    HD1  PHE  69           HD1      PHE  69 -13.055  -9.261   2.823
  526    HD2  PHE  69           HD2      PHE  69 -15.169  -6.063   0.976
  527    HE1  PHE  69           HE1      PHE  69 -15.163 -10.497   3.103
  528    HE2  PHE  69           HE2      PHE  69 -17.281  -7.292   1.255
  529    HZ   PHE  69           HZ       PHE  69 -17.280  -9.513   2.320
  530    H    ASN  70           HN       ASN  70 -13.528  -8.799  -0.645
  531    HA   ASN  70           HA       ASN  70 -12.113 -11.121   0.242
  532   1HB   ASN  70          HB2       ASN  70 -14.572 -11.078  -0.049
  533   2HB   ASN  70          HB3       ASN  70 -14.347 -10.895  -1.786
  534   1HD2  ASN  70          HD21      ASN  70 -12.305 -12.894   0.217
  535   2HD2  ASN  70          HD22      ASN  70 -12.833 -14.410  -0.420
  536    H    GLN  71           HN       GLN  71 -12.323  -9.297  -2.747
  537    HA   GLN  71           HA       GLN  71 -10.969 -11.200  -4.373
  538   1HB   GLN  71          HB2       GLN  71 -11.238  -8.213  -4.764
  539   2HB   GLN  71          HB3       GLN  71 -10.771  -9.379  -5.994
  540   1HG   GLN  71          HG2       GLN  71 -12.965 -10.432  -5.835
  541   2HG   GLN  71          HG3       GLN  71 -13.434  -9.270  -4.595
  542   1HE2  GLN  71          HE21      GLN  71 -13.846  -7.139  -5.175
  543   2HE2  GLN  71          HE22      GLN  71 -14.106  -6.664  -6.817
  544    H    LEU  72           HN       LEU  72  -9.914  -8.144  -2.878
  545    HA   LEU  72           HA       LEU  72  -7.231  -8.289  -3.617
  546   1HB   LEU  72          HB2       LEU  72  -8.863  -6.625  -2.015
  547   2HB   LEU  72          HB3       LEU  72  -7.482  -7.064  -1.046
  548    HG   LEU  72           HG       LEU  72  -6.022  -6.148  -2.659
  549   1HD1  LEU  72          HD11      LEU  72  -6.850  -4.967  -4.667
  550   2HD1  LEU  72          HD12      LEU  72  -7.106  -6.711  -4.718
  551   3HD1  LEU  72          HD13      LEU  72  -8.448  -5.635  -4.337
  552   1HD2  LEU  72          HD21      LEU  72  -6.865  -4.594  -1.052
  553   2HD2  LEU  72          HD22      LEU  72  -6.729  -3.777  -2.608
  554   3HD2  LEU  72          HD23      LEU  72  -8.306  -4.320  -2.032
  555    H    GLU  73           HN       GLU  73  -8.915  -9.572  -0.790
  556    HA   GLU  73           HA       GLU  73  -6.832 -10.328   0.824
  557   1HB   GLU  73          HB2       GLU  73  -9.192 -10.593   1.432
  558   2HB   GLU  73          HB3       GLU  73  -9.355 -11.901   0.269
  559   1HG   GLU  73          HG2       GLU  73  -7.792 -13.255   1.536
  560   2HG   GLU  73          HG3       GLU  73  -7.551 -11.935   2.679
  561    H    ALA  74           HN       ALA  74  -8.182 -12.183  -1.894
  562    HA   ALA  74           HA       ALA  74  -6.223 -14.278  -1.609
  563   1HB   ALA  74          HB1       ALA  74  -7.266 -15.256  -3.572
  564   2HB   ALA  74          HB2       ALA  74  -8.493 -14.759  -2.407
  565   3HB   ALA  74          HB3       ALA  74  -8.188 -13.778  -3.841
  566    H    PHE  75           HN       PHE  75  -6.364 -11.249  -3.163
  567    HA   PHE  75           HA       PHE  75  -4.530 -11.865  -5.292
  568   1HB   PHE  75          HB2       PHE  75  -6.239 -10.094  -5.501
  569   2HB   PHE  75          HB3       PHE  75  -5.425  -9.180  -4.235
  570    HD1  PHE  75           HD1      PHE  75  -3.651  -7.755  -4.743
  571    HD2  PHE  75           HD2      PHE  75  -4.978 -10.581  -7.633
  572    HE1  PHE  75           HE1      PHE  75  -2.216  -6.692  -6.435
  573    HE2  PHE  75           HE2      PHE  75  -3.545  -9.525  -9.328
  574    HZ   PHE  75           HZ       PHE  75  -2.158  -7.578  -8.730
  575    H    LEU  76           HN       LEU  76  -4.286 -10.916  -1.999
  576    HA   LEU  76           HA       LEU  76  -1.660  -9.780  -2.198
  577   1HB   LEU  76          HB2       LEU  76  -3.512  -9.391  -0.410
  578   2HB   LEU  76          HB3       LEU  76  -2.845 -10.821   0.346
  579    HG   LEU  76           HG       LEU  76  -1.997  -8.658   1.264
  580   1HD1  LEU  76          HD11      LEU  76   0.317  -9.354   1.393
  581   2HD1  LEU  76          HD12      LEU  76  -0.754 -10.747   1.529
  582   3HD1  LEU  76          HD13      LEU  76   0.090 -10.428   0.014
  583   1HD2  LEU  76          HD21      LEU  76  -1.915  -7.446  -0.878
  584   2HD2  LEU  76          HD22      LEU  76  -0.396  -7.373   0.013
  585   3HD2  LEU  76          HD23      LEU  76  -0.557  -8.456  -1.369
  586    H    THR  77           HN       THR  77  -2.970 -12.853  -0.963
  587    HA   THR  77           HA       THR  77  -0.585 -14.028  -0.159
  588    HB   THR  77           HB       THR  77  -2.984 -15.393  -1.405
  589    HG1  THR  77           HG1      THR  77  -3.880 -15.163   0.503
  590   1HG2  THR  77          HG21      THR  77  -2.188 -17.376  -0.108
  591   2HG2  THR  77          HG22      THR  77  -0.694 -16.499   0.223
  592   3HG2  THR  77          HG23      THR  77  -1.124 -16.916  -1.436
  593    H    ALA  78           HN       ALA  78  -1.833 -13.446  -3.327
  594    HA   ALA  78           HA       ALA  78  -0.333 -15.333  -4.786
  595   1HB   ALA  78          HB1       ALA  78  -2.231 -14.292  -5.798
  596   2HB   ALA  78          HB2       ALA  78  -1.535 -12.686  -5.579
  597   3HB   ALA  78          HB3       ALA  78  -0.804 -13.817  -6.720
  598    H    GLN  79           HN       GLN  79   0.436 -12.204  -3.470
  599    HA   GLN  79           HA       GLN  79   2.797 -11.774  -5.022
  600   1HB   GLN  79          HB2       GLN  79   2.304 -10.540  -2.331
  601   2HB   GLN  79          HB3       GLN  79   3.142  -9.859  -3.717
  602   1HG   GLN  79          HG2       GLN  79   0.978  -9.729  -4.906
  603   2HG   GLN  79          HG3       GLN  79   0.181 -10.294  -3.439
  604   1HE2  GLN  79          HE21      GLN  79   2.075  -8.823  -1.731
  605   2HE2  GLN  79          HE22      GLN  79   1.592  -7.168  -1.812
  606    H    THR  80           HN       THR  80   2.069 -13.838  -2.466
  607    HA   THR  80           HA       THR  80   4.835 -13.883  -1.490
  608    HB   THR  80           HB       THR  80   4.068 -15.155   0.385
  609    HG1  THR  80           HG1      THR  80   1.492 -15.396   0.163
  610   1HG2  THR  80          HG21      THR  80   1.987 -13.049  -0.215
  611   2HG2  THR  80          HG22      THR  80   3.586 -12.737   0.456
  612   3HG2  THR  80          HG23      THR  80   2.410 -13.674   1.378
  613    H    LYS  81           HN       LYS  81   2.695 -15.538  -3.567
  614    HA   LYS  81           HA       LYS  81   3.988 -18.111  -3.374
  615   1HB   LYS  81          HB2       LYS  81   2.250 -17.310  -5.680
  616   2HB   LYS  81          HB3       LYS  81   2.414 -18.881  -4.910
  617   1HG   LYS  81          HG2       LYS  81   1.001 -16.474  -3.786
  618   2HG   LYS  81          HG3       LYS  81   0.249 -17.929  -4.436
  619   1HD   LYS  81          HD2       LYS  81   2.176 -18.089  -2.144
  620   2HD   LYS  81          HD3       LYS  81   0.481 -17.682  -1.874
  621   1HE   LYS  81          HE2       LYS  81  -0.215 -19.752  -2.914
  622   2HE   LYS  81          HE3       LYS  81   1.459 -20.152  -3.299
  623   1HZ   LYS  81          HZ1       LYS  81   0.722 -21.331  -1.336
  624   2HZ   LYS  81          HZ2       LYS  81   0.313 -19.879  -0.572
  625   3HZ   LYS  81          HZ3       LYS  81   1.932 -20.225  -0.919
  626    H    LYS  82           HN       LYS  82   4.369 -15.192  -5.165
  627    HA   LYS  82           HA       LYS  82   5.797 -16.249  -7.383
  628   1HB   LYS  82          HB2       LYS  82   6.414 -13.943  -7.850
  629   2HB   LYS  82          HB3       LYS  82   4.712 -14.029  -7.414
  630   1HG   LYS  82          HG2       LYS  82   5.142 -13.141  -5.252
  631   2HG   LYS  82          HG3       LYS  82   6.887 -13.292  -5.472
  632   1HD   LYS  82          HD2       LYS  82   6.331 -10.997  -5.788
  633   2HD   LYS  82          HD3       LYS  82   6.688 -11.671  -7.379
  634   1HE   LYS  82          HE2       LYS  82   4.269 -11.951  -7.769
  635   2HE   LYS  82          HE3       LYS  82   3.951 -11.206  -6.203
  636   1HZ   LYS  82          HZ1       LYS  82   5.254  -9.919  -8.541
  637   2HZ   LYS  82          HZ2       LYS  82   5.093  -9.199  -7.019
  638   3HZ   LYS  82          HZ3       LYS  82   3.716  -9.576  -7.925
  639    H    GLN  83           HN       GLN  83   8.107 -14.973  -7.670
  640    HA   GLN  83           HA       GLN  83   9.740 -15.918  -5.408
  641   1HB   GLN  83          HB2       GLN  83  11.563 -16.196  -7.087
  642   2HB   GLN  83          HB3       GLN  83  10.183 -17.251  -7.352
  643   1HG   GLN  83          HG2       GLN  83   9.363 -15.643  -9.062
  644   2HG   GLN  83          HG3       GLN  83  10.863 -14.740  -8.859
  645   1HE2  GLN  83          HE21      GLN  83   9.413 -17.671 -10.033
  646   2HE2  GLN  83          HE22      GLN  83  10.763 -18.206 -10.968
  647    H    GLY  84           HN       GLY  84  11.154 -14.548  -4.469
  648   1HA   GLY  84          HA1       GLY  84  12.374 -12.626  -4.082
  649   2HA   GLY  84          HA2       GLY  84  12.110 -12.175  -5.761
  650    H    GLY  85           HN       GLY  85   9.174 -12.893  -4.373
  651   1HA   GLY  85          HA1       GLY  85   8.297 -10.188  -4.449
  652   2HA   GLY  85          HA2       GLY  85   7.356 -11.567  -3.903
  653    H    ILE  86           HN       ILE  86   6.559 -11.030  -1.973
  654    HA   ILE  86           HA       ILE  86   8.394  -9.812  -0.018
  655    HB   ILE  86           HB       ILE  86   6.498  -8.832   1.076
  656   1HG1  ILE  86          HG12      ILE  86   4.785 -10.249  -0.983
  657   2HG1  ILE  86          HG13      ILE  86   4.924 -10.714   0.709
  658   1HG2  ILE  86          HG21      ILE  86   7.380  -7.561  -0.766
  659   2HG2  ILE  86          HG22      ILE  86   6.410  -8.479  -1.920
  660   3HG2  ILE  86          HG23      ILE  86   5.625  -7.393  -0.770
  661   1HD1  ILE  86          HD11      ILE  86   2.877  -9.467   0.268
  662   2HD1  ILE  86          HD12      ILE  86   3.935  -8.602   1.386
  663   3HD1  ILE  86          HD13      ILE  86   3.831  -8.098  -0.302
  664    H    THR  87           HN       THR  87   7.967 -10.406   2.270
  665    HA   THR  87           HA       THR  87   7.700 -13.294   2.471
  666    HB   THR  87           HB       THR  87   8.572 -13.071   4.723
  667    HG1  THR  87           HG1      THR  87   7.958 -11.263   5.671
  668   1HG2  THR  87          HG21      THR  87  10.749 -12.081   4.242
  669   2HG2  THR  87          HG22      THR  87  10.083 -11.274   2.823
  670   3HG2  THR  87          HG23      THR  87  10.186 -13.034   2.870
  671    H    SER  88           HN       SER  88   6.772 -13.815   4.897
  672    HA   SER  88           HA       SER  88   3.968 -13.436   4.639
  673   1HB   SER  88          HB2       SER  88   5.549 -14.531   6.978
  674   2HB   SER  88          HB3       SER  88   3.809 -14.700   6.739
  675    HG   SER  88           HG       SER  88   4.420 -15.754   4.688
  676    H    ASP  89           HN       ASP  89   6.467 -12.018   6.680
  677    HA   ASP  89           HA       ASP  89   4.800 -10.622   8.455
  678   1HB   ASP  89          HB2       ASP  89   7.569  -9.903   7.464
  679   2HB   ASP  89          HB3       ASP  89   6.774  -9.178   8.857
  680    H    GLN  90           HN       GLN  90   6.159  -9.731   5.319
  681    HA   GLN  90           HA       GLN  90   5.124  -7.083   5.294
  682   1HB   GLN  90          HB2       GLN  90   6.174  -8.932   3.157
  683   2HB   GLN  90          HB3       GLN  90   5.556  -7.335   2.759
  684   1HG   GLN  90          HG2       GLN  90   7.315  -6.846   4.827
  685   2HG   GLN  90          HG3       GLN  90   8.102  -8.133   3.914
  686   1HE2  GLN  90          HE21      GLN  90   6.827  -7.256   1.408
  687   2HE2  GLN  90          HE22      GLN  90   7.698  -5.849   0.911
  688    H    ALA  91           HN       ALA  91   4.089 -10.099   3.748
  689    HA   ALA  91           HA       ALA  91   1.811  -9.117   2.471
  690   1HB   ALA  91          HB1       ALA  91   1.092 -11.474   2.389
  691   2HB   ALA  91          HB2       ALA  91   2.773 -11.254   1.904
  692   3HB   ALA  91          HB3       ALA  91   2.393 -11.885   3.506
  693    H    ALA  92           HN       ALA  92   2.372  -9.728   5.801
  694    HA   ALA  92           HA       ALA  92  -0.341 -10.240   6.544
  695   1HB   ALA  92          HB1       ALA  92   0.433 -10.042   8.823
  696   2HB   ALA  92          HB2       ALA  92   1.560 -11.019   7.882
  697   3HB   ALA  92          HB3       ALA  92   1.957  -9.344   8.271
  698    H    VAL  93           HN       VAL  93   1.713  -7.338   6.529
  699    HA   VAL  93           HA       VAL  93  -0.421  -5.756   7.682
  700    HB   VAL  93           HB       VAL  93   2.258  -5.473   7.833
  701   1HG1  VAL  93          HG11      VAL  93   2.986  -3.555   6.573
  702   2HG1  VAL  93          HG12      VAL  93   2.446  -4.818   5.467
  703   3HG1  VAL  93          HG13      VAL  93   1.411  -3.426   5.794
  704   1HG2  VAL  93          HG21      VAL  93   1.813  -3.261   8.772
  705   2HG2  VAL  93          HG22      VAL  93   0.214  -3.273   8.027
  706   3HG2  VAL  93          HG23      VAL  93   0.610  -4.445   9.284
  707    H    ILE  94           HN       ILE  94   0.859  -6.433   4.516
  708    HA   ILE  94           HA       ILE  94  -0.435  -4.203   3.242
  709    HB   ILE  94           HB       ILE  94   0.659  -6.696   1.931
  710   1HG1  ILE  94          HG12      ILE  94   2.083  -4.064   2.350
  711   2HG1  ILE  94          HG13      ILE  94   2.284  -5.445   3.424
  712   1HG2  ILE  94          HG21      ILE  94   0.928  -5.165  -0.015
  713   2HG2  ILE  94          HG22      ILE  94  -0.754  -5.434   0.449
  714   3HG2  ILE  94          HG23      ILE  94   0.053  -3.930   0.891
  715   1HD1  ILE  94          HD11      ILE  94   2.880  -5.464   0.476
  716   2HD1  ILE  94          HD12      ILE  94   4.076  -5.230   1.751
  717   3HD1  ILE  94          HD13      ILE  94   3.203  -6.757   1.632
  718    H    SER  95           HN       SER  95  -1.196  -7.566   3.881
  719    HA   SER  95           HA       SER  95  -3.387  -7.871   2.159
  720   1HB   SER  95          HB2       SER  95  -2.410  -9.788   3.261
  721   2HB   SER  95          HB3       SER  95  -2.821  -9.138   4.850
  722    HG   SER  95           HG       SER  95  -4.858  -9.719   4.577
  723    H    LYS  96           HN       LYS  96  -2.991  -5.930   4.875
  724    HA   LYS  96           HA       LYS  96  -5.748  -5.824   5.705
  725   1HB   LYS  96          HB2       LYS  96  -3.658  -3.814   6.473
  726   2HB   LYS  96          HB3       LYS  96  -5.007  -4.436   7.420
  727   1HG   LYS  96          HG2       LYS  96  -2.947  -6.385   6.593
  728   2HG   LYS  96          HG3       LYS  96  -2.494  -5.203   7.827
  729   1HD   LYS  96          HD2       LYS  96  -5.058  -6.727   8.039
  730   2HD   LYS  96          HD3       LYS  96  -3.536  -7.460   8.561
  731   1HE   LYS  96          HE2       LYS  96  -3.165  -5.559  10.071
  732   2HE   LYS  96          HE3       LYS  96  -4.695  -4.855   9.552
  733   1HZ   LYS  96          HZ1       LYS  96  -4.382  -7.467  10.930
  734   2HZ   LYS  96          HZ2       LYS  96  -5.848  -6.777  10.446
  735   3HZ   LYS  96          HZ3       LYS  96  -4.921  -6.033  11.649
  736    H    PHE  97           HN       PHE  97  -4.277  -4.733   3.042
  737    HA   PHE  97           HA       PHE  97  -4.871  -2.045   2.773
  738   1HB   PHE  97          HB2       PHE  97  -4.994  -2.555   0.281
  739   2HB   PHE  97          HB3       PHE  97  -3.501  -2.954   1.115
  740    HD1  PHE  97           HD1      PHE  97  -3.479  -4.229  -1.306
  741    HD2  PHE  97           HD2      PHE  97  -5.783  -5.339   2.087
  742    HE1  PHE  97           HE1      PHE  97  -3.675  -6.509  -2.185
  743    HE2  PHE  97           HE2      PHE  97  -5.972  -7.632   1.215
  744    HZ   PHE  97           HZ       PHE  97  -4.709  -8.198  -0.990
  745    H    TRP  98           HN       TRP  98  -7.227  -4.280   3.432
  746    HA   TRP  98           HA       TRP  98  -9.205  -2.590   2.057
  747   1HB   TRP  98          HB2       TRP  98 -10.688  -4.629   1.902
  748   2HB   TRP  98          HB3       TRP  98  -9.293  -4.605   0.835
  749    HD1  TRP  98           HD1      TRP  98  -7.842  -6.702   0.836
  750    HE1  TRP  98           HE1      TRP  98  -7.631  -8.791   2.326
  751    HE3  TRP  98           HE3      TRP  98 -11.011  -5.341   4.620
  752    HZ2  TRP  98           HZ2      TRP  98  -8.672  -9.740   4.772
  753    HZ3  TRP  98           HZ3      TRP  98 -11.350  -6.900   6.492
  754    HH2  TRP  98           HH2      TRP  98 -10.205  -9.054   6.564
  755    H    LYS  99           HN       LYS  99  -8.084  -3.475   5.022
  756    HA   LYS  99           HA       LYS  99 -10.742  -3.315   6.260
  757   1HB   LYS  99          HB2       LYS  99  -9.600  -4.072   8.339
  758   2HB   LYS  99          HB3       LYS  99  -9.508  -5.226   7.019
  759   1HG   LYS  99          HG2       LYS  99  -7.371  -5.290   7.858
  760   2HG   LYS  99          HG3       LYS  99  -7.209  -4.120   6.552
  761   1HD   LYS  99          HD2       LYS  99  -6.062  -3.325   8.538
  762   2HD   LYS  99          HD3       LYS  99  -7.445  -2.291   8.182
  763   1HE   LYS  99          HE2       LYS  99  -8.758  -3.441   9.881
  764   2HE   LYS  99          HE3       LYS  99  -7.400  -4.515  10.220
  765   1HZ   LYS  99          HZ1       LYS  99  -7.558  -2.716  11.832
  766   2HZ   LYS  99          HZ2       LYS  99  -7.399  -1.569  10.600
  767   3HZ   LYS  99          HZ3       LYS  99  -6.115  -2.612  10.953
  768    H    SER 100           HN       SER 100  -7.864  -1.543   5.741
  769    HA   SER 100           HA       SER 100  -8.112   0.224   7.979
  770   1HB   SER 100          HB2       SER 100  -5.945  -0.146   6.887
  771   2HB   SER 100          HB3       SER 100  -6.572   0.544   5.390
  772    HG   SER 100           HG       SER 100  -5.399   2.086   6.585
  773    H    HIS 101           HN       HIS 101  -9.691  -0.057   4.983
  774    HA   HIS 101           HA       HIS 101 -10.770   2.677   5.253
  775   1HB   HIS 101          HB2       HIS 101  -9.287   2.269   3.233
  776   2HB   HIS 101          HB3       HIS 101 -10.523   1.158   2.652
  777    HD1  HIS 101           HD1      HIS 101 -12.327   2.167   1.271
  778    HD2  HIS 101           HD2      HIS 101 -10.326   5.013   3.543
  779    HE1  HIS 101           HE1      HIS 101 -13.246   4.386   0.530
  780    HE2  HIS 101           HE2      HIS 101 -12.084   6.087   1.981
  781    H    LYS 102           HN       LYS 102 -11.619  -0.165   6.142
  782    HA   LYS 102           HA       LYS 102 -14.415   0.274   5.612
  783   1HB   LYS 102          HB2       LYS 102 -13.651  -1.024   3.627
  784   2HB   LYS 102          HB3       LYS 102 -13.173  -2.326   4.706
  785   1HG   LYS 102          HG2       LYS 102 -15.312  -2.982   5.094
  786   2HG   LYS 102          HG3       LYS 102 -15.963  -1.353   4.904
  787   1HD   LYS 102          HD2       LYS 102 -16.710  -2.722   3.066
  788   2HD   LYS 102          HD3       LYS 102 -15.564  -1.523   2.465
  789   1HE   LYS 102          HE2       LYS 102 -13.783  -3.239   2.557
  790   2HE   LYS 102          HE3       LYS 102 -14.989  -4.426   3.055
  791   1HZ   LYS 102          HZ1       LYS 102 -16.158  -4.046   0.966
  792   2HZ   LYS 102          HZ2       LYS 102 -14.570  -4.557   0.688
  793   3HZ   LYS 102          HZ3       LYS 102 -14.981  -2.928   0.490
  794    H    THR 103           HN       THR 103 -14.102   0.599   7.922
  795    HA   THR 103           HA       THR 103 -14.772  -1.806   9.389
  796    HB   THR 103           HB       THR 103 -13.100  -1.121  11.234
  797    HG1  THR 103           HG1      THR 103 -11.573   0.269  10.711
  798   1HG2  THR 103          HG21      THR 103 -11.340  -2.522  10.283
  799   2HG2  THR 103          HG22      THR 103 -12.052  -2.346   8.680
  800   3HG2  THR 103          HG23      THR 103 -12.930  -3.202   9.946
  801    H    LYS 104           HN       LYS 104 -13.544   1.362  10.407
  802    HA   LYS 104           HA       LYS 104 -16.201   1.958  11.535
  803   1HB   LYS 104          HB2       LYS 104 -13.450   2.477  12.650
  804   2HB   LYS 104          HB3       LYS 104 -14.844   3.403  13.185
  805   1HG   LYS 104          HG2       LYS 104 -14.606   1.704  14.766
  806   2HG   LYS 104          HG3       LYS 104 -15.926   1.166  13.727
  807   1HD   LYS 104          HD2       LYS 104 -14.365  -0.267  12.496
  808   2HD   LYS 104          HD3       LYS 104 -13.048   0.273  13.538
  809   1HE   LYS 104          HE2       LYS 104 -15.517  -1.217  14.424
  810   2HE   LYS 104          HE3       LYS 104 -13.903  -1.904  14.241
  811   1HZ   LYS 104          HZ1       LYS 104 -14.445  -1.343  16.551
  812   2HZ   LYS 104          HZ2       LYS 104 -14.606   0.285  16.121
  813   3HZ   LYS 104          HZ3       LYS 104 -13.103  -0.480  15.986
  814    H    ILE 105           HN       ILE 105 -14.596   2.621   8.975
  815    HA   ILE 105           HA       ILE 105 -14.029   5.364   8.914
  816    HB   ILE 105           HB       ILE 105 -15.109   3.910   6.520
  817   1HG1  ILE 105          HG12      ILE 105 -13.599   2.316   7.546
  818   2HG1  ILE 105          HG13      ILE 105 -12.828   3.018   6.128
  819   1HG2  ILE 105          HG21      ILE 105 -13.212   5.201   5.445
  820   2HG2  ILE 105          HG22      ILE 105 -14.573   6.150   6.049
  821   3HG2  ILE 105          HG23      ILE 105 -13.073   6.069   6.975
  822   1HD1  ILE 105          HD11      ILE 105 -11.246   2.807   7.935
  823   2HD1  ILE 105          HD12      ILE 105 -11.543   4.511   7.588
  824   3HD1  ILE 105          HD13      ILE 105 -12.290   3.753   8.994
  825    H    ARG 106           HN       ARG 106 -16.938   3.657   7.757
  826    HA   ARG 106           HA       ARG 106 -18.638   5.804   8.657
  827   1HB   ARG 106          HB2       ARG 106 -17.858   6.665   6.483
  828   2HB   ARG 106          HB3       ARG 106 -18.434   5.200   5.700
  829   1HG   ARG 106          HG2       ARG 106 -20.732   5.769   6.456
  830   2HG   ARG 106          HG3       ARG 106 -20.100   7.300   7.068
  831   1HD   ARG 106          HD2       ARG 106 -21.090   7.581   4.857
  832   2HD   ARG 106          HD3       ARG 106 -19.355   7.896   4.819
  833    HE   ARG 106           HE       ARG 106 -19.695   5.230   4.156
  834   1HH1  ARG 106          HH12      ARG 106 -20.619   8.335   2.872
  835   2HH1  ARG 106          HH11      ARG 106 -20.637   7.793   1.228
  836   1HH2  ARG 106          HH22      ARG 106 -19.716   4.508   1.995
  837   2HH2  ARG 106          HH21      ARG 106 -20.125   5.616   0.728
  838    H    GLU 107           HN       GLU 107 -18.488   2.964   6.511
  839    HA   GLU 107           HA       GLU 107 -20.803   1.863   7.942
  840   1HB   GLU 107          HB2       GLU 107 -20.467   1.918   4.938
  841   2HB   GLU 107          HB3       GLU 107 -21.720   1.030   5.794
  842   1HG   GLU 107          HG2       GLU 107 -22.622   3.116   6.664
  843   2HG   GLU 107          HG3       GLU 107 -21.354   4.017   5.833
  844    H    SER 108           HN       SER 108 -20.855  -0.368   8.129
  845    HA   SER 108           HA       SER 108 -18.296  -1.684   7.633
  846   1HB   SER 108          HB2       SER 108 -20.678  -2.576   9.278
  847   2HB   SER 108          HB3       SER 108 -19.141  -3.430   9.165
  848    HG   SER 108           HG       SER 108 -19.208  -2.114  11.015
  Start of MODEL   20
    1   1H    MET   1          H1        MET   1  18.112  -1.314  11.333
    2   2H    MET   1          H2        MET   1  16.435  -1.532  11.282
    3   3H    MET   1          H3        MET   1  17.410  -2.212  10.081
    4    HA   MET   1           HA       MET   1  18.442  -3.672  11.676
    5   1HB   MET   1          HB2       MET   1  16.455  -2.509  13.636
    6   2HB   MET   1          HB3       MET   1  17.622  -3.782  13.963
    7   1HG   MET   1          HG2       MET   1  18.290  -0.935  13.251
    8   2HG   MET   1          HG3       MET   1  18.329  -1.631  14.870
    9   1HE   MET   1          HE1       MET   1  21.246  -4.201  14.619
   10   2HE   MET   1          HE2       MET   1  20.131  -3.372  15.705
   11   3HE   MET   1          HE3       MET   1  19.508  -4.469  14.472
   12    H    ALA   2           HN       ALA   2  17.645  -5.748  11.807
   13    HA   ALA   2           HA       ALA   2  16.285  -7.500  11.297
   14   1HB   ALA   2          HB1       ALA   2  14.063  -5.716  12.279
   15   2HB   ALA   2          HB2       ALA   2  14.062  -7.478  12.202
   16   3HB   ALA   2          HB3       ALA   2  15.133  -6.645  13.327
   17    H    ALA   3           HN       ALA   3  16.817  -5.481   9.252
   18    HA   ALA   3           HA       ALA   3  16.220  -4.956   7.122
   19   1HB   ALA   3          HB1       ALA   3  14.893  -6.600   5.893
   20   2HB   ALA   3          HB2       ALA   3  16.118  -7.383   6.890
   21   3HB   ALA   3          HB3       ALA   3  14.435  -7.370   7.412
   22    H    GLY   4           HN       GLY   4  15.261  -2.969   7.616
   23   1HA   GLY   4          HA1       GLY   4  12.445  -2.835   6.997
   24   2HA   GLY   4          HA2       GLY   4  12.827  -2.363   8.646
   25    H    GLU   5           HN       GLU   5  13.352  -1.607   5.253
   26    HA   GLU   5           HA       GLU   5  14.529   0.972   5.945
   27   1HB   GLU   5          HB2       GLU   5  14.052  -0.346   3.265
   28   2HB   GLU   5          HB3       GLU   5  14.839   1.209   3.491
   29   1HG   GLU   5          HG2       GLU   5  15.828  -1.431   4.545
   30   2HG   GLU   5          HG3       GLU   5  16.453  -0.580   3.132
   31    H    LEU   6           HN       LEU   6  11.600   0.051   6.227
   32    HA   LEU   6           HA       LEU   6  10.448   2.506   5.098
   33   1HB   LEU   6          HB2       LEU   6   8.809   0.022   5.124
   34   2HB   LEU   6          HB3       LEU   6   8.643   1.448   4.119
   35    HG   LEU   6           HG       LEU   6  10.964   0.584   3.156
   36   1HD1  LEU   6          HD11      LEU   6  10.956  -1.868   3.012
   37   2HD1  LEU   6          HD12      LEU   6  11.165  -1.297   4.667
   38   3HD1  LEU   6          HD13      LEU   6   9.601  -1.917   4.140
   39   1HD2  LEU   6          HD21      LEU   6   9.713  -0.515   1.372
   40   2HD2  LEU   6          HD22      LEU   6   8.278  -0.558   2.397
   41   3HD2  LEU   6          HD23      LEU   6   8.934   0.989   1.864
   42    H    GLU   7           HN       GLU   7  11.316   2.125   7.696
   43    HA   GLU   7           HA       GLU   7  10.660   2.512   9.845
   44   1HB   GLU   7          HB2       GLU   7   7.846   2.728   8.785
   45   2HB   GLU   7          HB3       GLU   7   8.481   3.414  10.272
   46   1HG   GLU   7          HG2       GLU   7   9.469   4.226   7.560
   47   2HG   GLU   7          HG3       GLU   7   8.093   4.996   8.347
   48    H    GLY   8           HN       GLY   8   8.290   1.751  11.182
   49   1HA   GLY   8          HA1       GLY   8   8.814  -0.991  11.650
   50   2HA   GLY   8          HA2       GLY   8   7.451  -0.080  12.288
   51    H    GLY   9           HN       GLY   9   6.662  -2.447  11.824
   52   1HA   GLY   9          HA1       GLY   9   6.014  -3.054   9.101
   53   2HA   GLY   9          HA2       GLY   9   5.413  -3.890  10.525
   54    H    LYS  10           HN       LYS  10   4.525  -1.145  11.549
   55    HA   LYS  10           HA       LYS  10   1.843  -1.355  10.636
   56   1HB   LYS  10          HB2       LYS  10   3.257   0.650  12.379
   57   2HB   LYS  10          HB3       LYS  10   1.543   0.773  12.000
   58   1HG   LYS  10          HG2       LYS  10   2.802  -1.632  13.299
   59   2HG   LYS  10          HG3       LYS  10   2.061  -0.301  14.191
   60   1HD   LYS  10          HD2       LYS  10  -0.066  -0.729  13.045
   61   2HD   LYS  10          HD3       LYS  10   0.679  -2.071  12.173
   62   1HE   LYS  10          HE2       LYS  10   0.391  -1.867  15.170
   63   2HE   LYS  10          HE3       LYS  10  -0.633  -2.833  14.108
   64   1HZ   LYS  10          HZ1       LYS  10   1.092  -4.166  15.161
   65   2HZ   LYS  10          HZ2       LYS  10   2.293  -3.197  14.469
   66   3HZ   LYS  10          HZ3       LYS  10   1.294  -4.138  13.481
   67    HA   PRO  11           HA       PRO  11   2.863   3.129   8.644
   68   1HB   PRO  11          HB2       PRO  11   5.624   2.312   7.846
   69   2HB   PRO  11          HB3       PRO  11   4.981   3.913   8.239
   70   1HG   PRO  11          HG2       PRO  11   6.462   2.466   9.979
   71   2HG   PRO  11          HG3       PRO  11   5.202   3.597  10.495
   72   1HD   PRO  11          HD2       PRO  11   5.228   0.661  10.594
   73   2HD   PRO  11          HD3       PRO  11   4.216   1.814  11.473
   74    H    LEU  12           HN       LEU  12   4.344   0.095   7.472
   75    HA   LEU  12           HA       LEU  12   4.031   0.576   4.736
   76   1HB   LEU  12          HB2       LEU  12   5.331  -1.296   5.808
   77   2HB   LEU  12          HB3       LEU  12   3.803  -2.128   6.043
   78    HG   LEU  12           HG       LEU  12   3.579  -1.687   3.435
   79   1HD1  LEU  12          HD11      LEU  12   6.557  -1.880   3.817
   80   2HD1  LEU  12          HD12      LEU  12   5.684  -1.884   2.283
   81   3HD1  LEU  12          HD13      LEU  12   5.685  -0.438   3.295
   82   1HD2  LEU  12          HD21      LEU  12   3.460  -3.868   4.456
   83   2HD2  LEU  12          HD22      LEU  12   4.555  -3.934   3.075
   84   3HD2  LEU  12          HD23      LEU  12   5.205  -3.881   4.713
   85    H    SER  13           HN       SER  13   1.655  -0.116   7.110
   86    HA   SER  13           HA       SER  13  -0.314  -1.235   5.383
   87   1HB   SER  13          HB2       SER  13  -0.456  -1.552   7.802
   88   2HB   SER  13          HB3       SER  13  -0.623   0.186   8.041
   89    HG   SER  13           HG       SER  13  -2.677  -0.323   7.952
   90    H    GLY  14           HN       GLY  14   0.649   1.990   6.299
   91   1HA   GLY  14          HA1       GLY  14  -1.615   3.229   4.968
   92   2HA   GLY  14          HA2       GLY  14  -0.295   4.061   5.781
   93    H    LEU  15           HN       LEU  15   0.585   1.594   3.583
   94    HA   LEU  15           HA       LEU  15   2.034   3.372   1.905
   95   1HB   LEU  15          HB2       LEU  15   2.033   0.664   2.399
   96   2HB   LEU  15          HB3       LEU  15   1.402   0.748   0.771
   97    HG   LEU  15           HG       LEU  15   3.687   0.475   0.457
   98   1HD1  LEU  15          HD11      LEU  15   4.206   2.251  -0.827
   99   2HD1  LEU  15          HD12      LEU  15   2.542   2.705  -0.472
  100   3HD1  LEU  15          HD13      LEU  15   3.865   3.419   0.450
  101   1HD2  LEU  15          HD21      LEU  15   4.113   2.463   2.679
  102   2HD2  LEU  15          HD22      LEU  15   4.417   0.727   2.733
  103   3HD2  LEU  15          HD23      LEU  15   5.397   1.760   1.694
  104    H    LEU  16           HN       LEU  16  -0.674   1.192   1.111
  105    HA   LEU  16           HA       LEU  16  -1.234   2.231  -1.400
  106   1HB   LEU  16          HB2       LEU  16  -3.419   1.234   0.411
  107   2HB   LEU  16          HB3       LEU  16  -3.287   1.071  -1.330
  108    HG   LEU  16           HG       LEU  16  -2.840  -1.072  -0.665
  109   1HD1  LEU  16          HD11      LEU  16  -0.938  -0.204  -1.990
  110   2HD1  LEU  16          HD12      LEU  16  -0.075   0.111  -0.484
  111   3HD1  LEU  16          HD13      LEU  16  -0.503  -1.541  -0.926
  112   1HD2  LEU  16          HD21      LEU  16  -1.065  -1.232   1.399
  113   2HD2  LEU  16          HD22      LEU  16  -2.004   0.196   1.833
  114   3HD2  LEU  16          HD23      LEU  16  -2.817  -1.344   1.553
  115    H    ASN  17           HN       ASN  17  -1.761   3.527   1.702
  116    HA   ASN  17           HA       ASN  17  -3.825   5.396   0.986
  117   1HB   ASN  17          HB2       ASN  17  -3.751   4.714   3.270
  118   2HB   ASN  17          HB3       ASN  17  -2.030   5.071   3.395
  119   1HD2  ASN  17          HD21      ASN  17  -4.379   7.144   1.826
  120   2HD2  ASN  17          HD22      ASN  17  -4.295   8.430   2.977
  121    H    ALA  18           HN       ALA  18  -0.344   5.553   1.637
  122    HA   ALA  18           HA       ALA  18   0.014   8.304   1.109
  123   1HB   ALA  18          HB1       ALA  18   2.329   7.849   1.155
  124   2HB   ALA  18          HB2       ALA  18   1.598   6.715   2.287
  125   3HB   ALA  18          HB3       ALA  18   2.088   6.166   0.686
  126    H    LEU  19           HN       LEU  19  -0.089   5.457  -0.908
  127    HA   LEU  19           HA       LEU  19   0.936   6.721  -3.274
  128   1HB   LEU  19          HB2       LEU  19  -0.543   4.111  -2.969
  129   2HB   LEU  19          HB3       LEU  19   0.370   4.624  -4.374
  130    HG   LEU  19           HG       LEU  19   1.722   4.360  -1.712
  131   1HD1  LEU  19          HD11      LEU  19   1.225   2.141  -3.692
  132   2HD1  LEU  19          HD12      LEU  19   2.311   2.054  -2.305
  133   3HD1  LEU  19          HD13      LEU  19   0.577   2.248  -2.055
  134   1HD2  LEU  19          HD21      LEU  19   3.680   3.991  -3.081
  135   2HD2  LEU  19          HD22      LEU  19   2.696   4.010  -4.544
  136   3HD2  LEU  19          HD23      LEU  19   2.876   5.479  -3.584
  137    H    ALA  20           HN       ALA  20  -1.760   7.449  -1.773
  138    HA   ALA  20           HA       ALA  20  -3.791   7.059  -3.727
  139   1HB   ALA  20          HB1       ALA  20  -4.318   7.392  -1.371
  140   2HB   ALA  20          HB2       ALA  20  -3.684   9.037  -1.455
  141   3HB   ALA  20          HB3       ALA  20  -5.121   8.596  -2.381
  142    H    GLN  21           HN       GLN  21  -1.194   8.516  -4.480
  143    HA   GLN  21           HA       GLN  21  -1.519  11.169  -5.046
  144   1HB   GLN  21          HB2       GLN  21  -0.277   9.034  -6.785
  145   2HB   GLN  21          HB3       GLN  21  -0.090  10.761  -7.060
  146   1HG   GLN  21          HG2       GLN  21   0.993  10.997  -4.889
  147   2HG   GLN  21          HG3       GLN  21   0.794   9.269  -4.600
  148   1HE2  GLN  21          HE21      GLN  21   3.018   8.991  -4.395
  149   2HE2  GLN  21          HE22      GLN  21   4.073   9.015  -5.761
  150    H    ASP  22           HN       ASP  22  -3.482  11.939  -5.657
  151    HA   ASP  22           HA       ASP  22  -5.358  12.314  -6.898
  152   1HB   ASP  22          HB2       ASP  22  -3.379  11.644  -9.084
  153   2HB   ASP  22          HB3       ASP  22  -4.972  12.334  -9.380
  154    H    THR  23           HN       THR  23  -6.440  10.468  -5.975
  155    HA   THR  23           HA       THR  23  -6.458   7.985  -7.447
  156    HB   THR  23           HB       THR  23  -6.660   7.827  -5.053
  157    HG1  THR  23           HG1      THR  23  -7.841   6.275  -6.234
  158   1HG2  THR  23          HG21      THR  23  -8.795   8.664  -3.970
  159   2HG2  THR  23          HG22      THR  23  -9.041   9.627  -5.427
  160   3HG2  THR  23          HG23      THR  23  -7.617   9.894  -4.423
  161    H    PHE  24           HN       PHE  24  -8.506  10.809  -7.110
  162    HA   PHE  24           HA       PHE  24  -9.914  10.160  -9.517
  163   1HB   PHE  24          HB2       PHE  24 -11.108   8.762  -7.818
  164   2HB   PHE  24          HB3       PHE  24 -11.528  10.241  -6.959
  165    HD1  PHE  24           HD1      PHE  24 -11.941   8.466 -10.187
  166    HD2  PHE  24           HD2      PHE  24 -13.396  11.496  -7.576
  167    HE1  PHE  24           HE1      PHE  24 -13.946   8.712 -11.594
  168    HE2  PHE  24           HE2      PHE  24 -15.403  11.746  -8.977
  169    HZ   PHE  24           HZ       PHE  24 -15.677  10.341 -10.996
  170    H    HIS  25           HN       HIS  25 -10.508  11.983 -10.512
  171    HA   HIS  25           HA       HIS  25 -10.850  14.184 -10.946
  172   1HB   HIS  25          HB2       HIS  25 -12.800  13.904  -9.485
  173   2HB   HIS  25          HB3       HIS  25 -11.805  14.251  -8.075
  174    HD1  HIS  25           HD1      HIS  25 -11.304  16.694  -7.559
  175    HD2  HIS  25           HD2      HIS  25 -13.402  16.156 -11.105
  176    HE1  HIS  25           HE1      HIS  25 -12.070  18.990  -8.241
  177    HE2  HIS  25           HE2      HIS  25 -13.275  18.649 -10.429
  178    H    GLY  26           HN       GLY  26 -10.132  14.771  -7.540
  179   1HA   GLY  26          HA1       GLY  26  -7.513  15.872  -8.329
  180   2HA   GLY  26          HA2       GLY  26  -8.623  16.820  -7.351
  181    H    TYR  27           HN       TYR  27  -6.334  16.598  -6.186
  182    HA   TYR  27           HA       TYR  27  -6.263  14.204  -4.529
  183   1HB   TYR  27          HB2       TYR  27  -4.123  15.178  -3.667
  184   2HB   TYR  27          HB3       TYR  27  -4.130  14.877  -5.400
  185    HD1  TYR  27           HD1      TYR  27  -4.373  16.804  -6.978
  186    HD2  TYR  27           HD2      TYR  27  -3.808  17.366  -2.798
  187    HE1  TYR  27           HE1      TYR  27  -3.706  19.135  -7.387
  188    HE2  TYR  27           HE2      TYR  27  -3.136  19.698  -3.197
  189    HH   TYR  27           HH       TYR  27  -2.227  21.065  -5.015
  190    HA   PRO  28           HA       PRO  28  -8.409  16.536  -1.348
  191   1HB   PRO  28          HB2       PRO  28  -8.821  14.525   0.370
  192   2HB   PRO  28          HB3       PRO  28  -9.702  14.619  -1.161
  193   1HG   PRO  28          HG2       PRO  28  -7.315  12.959  -0.448
  194   2HG   PRO  28          HG3       PRO  28  -8.764  12.498  -1.359
  195   1HD   PRO  28          HD2       PRO  28  -6.375  13.189  -2.522
  196   2HD   PRO  28          HD3       PRO  28  -7.952  13.359  -3.318
  197    H    GLY  29           HN       GLY  29  -5.304  15.577  -1.416
  198   1HA   GLY  29          HA1       GLY  29  -4.009  17.080   0.230
  199   2HA   GLY  29          HA2       GLY  29  -4.789  16.069   1.439
  200    H    ILE  30           HN       ILE  30  -3.358  15.214  -1.694
  201    HA   ILE  30           HA       ILE  30  -1.280  13.689  -0.297
  202    HB   ILE  30           HB       ILE  30  -3.196  12.177  -0.859
  203   1HG1  ILE  30          HG12      ILE  30  -1.755  10.449  -2.011
  204   2HG1  ILE  30          HG13      ILE  30  -0.522  11.694  -2.186
  205   1HG2  ILE  30          HG21      ILE  30  -3.886  13.274  -2.929
  206   2HG2  ILE  30          HG22      ILE  30  -2.389  12.758  -3.704
  207   3HG2  ILE  30          HG23      ILE  30  -3.571  11.559  -3.181
  208   1HD1  ILE  30          HD11      ILE  30  -1.659  10.810   0.454
  209   2HD1  ILE  30          HD12      ILE  30  -0.177  10.170  -0.257
  210   3HD1  ILE  30          HD13      ILE  30  -0.279  11.875   0.184
  211    H    THR  31           HN       THR  31   0.606  13.265  -1.556
  212    HA   THR  31           HA       THR  31   0.784  14.365  -4.230
  213    HB   THR  31           HB       THR  31   2.615  15.504  -2.116
  214    HG1  THR  31           HG1      THR  31   1.290  17.223  -1.979
  215   1HG2  THR  31          HG21      THR  31   3.596  15.560  -4.302
  216   2HG2  THR  31          HG22      THR  31   3.043  17.190  -3.916
  217   3HG2  THR  31          HG23      THR  31   2.104  16.177  -5.012
  218    H    GLU  32           HN       GLU  32   2.826  13.852  -5.275
  219    HA   GLU  32           HA       GLU  32   3.682  11.250  -4.729
  220   1HB   GLU  32          HB2       GLU  32   3.823  12.257  -6.956
  221   2HB   GLU  32          HB3       GLU  32   5.051  13.377  -6.382
  222   1HG   GLU  32          HG2       GLU  32   6.568  11.526  -5.962
  223   2HG   GLU  32          HG3       GLU  32   5.334  10.382  -6.488
  224    H    GLU  33           HN       GLU  33   5.325  14.346  -4.106
  225    HA   GLU  33           HA       GLU  33   7.530  13.045  -2.801
  226   1HB   GLU  33          HB2       GLU  33   8.251  15.339  -2.233
  227   2HB   GLU  33          HB3       GLU  33   7.903  15.155  -3.945
  228   1HG   GLU  33          HG2       GLU  33   6.972  17.207  -3.396
  229   2HG   GLU  33          HG3       GLU  33   5.597  16.105  -3.397
  230    H    LEU  34           HN       LEU  34   4.403  13.725  -1.944
  231    HA   LEU  34           HA       LEU  34   4.869  14.299   0.849
  232   1HB   LEU  34          HB2       LEU  34   2.999  15.305  -0.356
  233   2HB   LEU  34          HB3       LEU  34   2.321  13.712  -0.640
  234    HG   LEU  34           HG       LEU  34   2.234  13.475   1.903
  235   1HD1  LEU  34          HD11      LEU  34   2.588  16.463   1.703
  236   2HD1  LEU  34          HD12      LEU  34   2.105  15.576   3.148
  237   3HD1  LEU  34          HD13      LEU  34   3.708  15.331   2.458
  238   1HD2  LEU  34          HD21      LEU  34   0.294  13.798   0.456
  239   2HD2  LEU  34          HD22      LEU  34   0.103  14.629   2.000
  240   3HD2  LEU  34          HD23      LEU  34   0.517  15.545   0.551
  241    H    LEU  35           HN       LEU  35   3.794  11.523  -1.095
  242    HA   LEU  35           HA       LEU  35   2.899   9.906   0.962
  243   1HB   LEU  35          HB2       LEU  35   3.363   7.984  -0.457
  244   2HB   LEU  35          HB3       LEU  35   2.485   9.255  -1.262
  245    HG   LEU  35           HG       LEU  35   4.261   9.742  -2.703
  246   1HD1  LEU  35          HD11      LEU  35   6.034   8.281  -0.764
  247   2HD1  LEU  35          HD12      LEU  35   6.521   8.624  -2.423
  248   3HD1  LEU  35          HD13      LEU  35   6.161   9.950  -1.320
  249   1HD2  LEU  35          HD21      LEU  35   5.002   7.420  -3.453
  250   2HD2  LEU  35          HD22      LEU  35   4.027   6.827  -2.104
  251   3HD2  LEU  35          HD23      LEU  35   3.270   7.757  -3.397
  252    H    ARG  36           HN       ARG  36   6.063  10.920   0.326
  253    HA   ARG  36           HA       ARG  36   7.371   8.743   1.696
  254   1HB   ARG  36          HB2       ARG  36   8.625   9.768  -0.031
  255   2HB   ARG  36          HB3       ARG  36   8.296  11.383   0.581
  256   1HG   ARG  36          HG2       ARG  36   9.647  10.843   2.588
  257   2HG   ARG  36          HG3       ARG  36  10.058   9.294   1.843
  258   1HD   ARG  36          HD2       ARG  36  11.263  10.322   0.119
  259   2HD   ARG  36          HD3       ARG  36  10.539  11.897   0.427
  260    HE   ARG  36           HE       ARG  36  12.190  10.788   2.549
  261   1HH1  ARG  36          HH12      ARG  36  11.946  12.943  -0.179
  262   2HH1  ARG  36          HH11      ARG  36  13.324  13.886   0.278
  263   1HH2  ARG  36          HH22      ARG  36  14.010  12.026   3.157
  264   2HH2  ARG  36          HH21      ARG  36  14.497  13.364   2.172
  265    H    SER  37           HN       SER  37   6.794  12.188   2.291
  266    HA   SER  37           HA       SER  37   7.839  12.203   4.907
  267   1HB   SER  37          HB2       SER  37   5.839  14.075   3.621
  268   2HB   SER  37          HB3       SER  37   6.706  14.389   5.125
  269    HG   SER  37           HG       SER  37   7.774  15.369   3.396
  270    H    GLN  38           HN       GLN  38   4.840  11.097   3.631
  271    HA   GLN  38           HA       GLN  38   3.242  11.481   5.947
  272   1HB   GLN  38          HB2       GLN  38   2.963   9.789   3.484
  273   2HB   GLN  38          HB3       GLN  38   1.803   9.677   4.800
  274   1HG   GLN  38          HG2       GLN  38   2.471  12.175   3.258
  275   2HG   GLN  38          HG3       GLN  38   1.037  11.173   3.034
  276   1HE2  GLN  38          HE21      GLN  38   2.654  13.451   5.099
  277   2HE2  GLN  38          HE22      GLN  38   1.293  13.821   6.098
  278    H    LEU  39           HN       LEU  39   5.247   8.761   4.825
  279    HA   LEU  39           HA       LEU  39   4.921   7.607   7.495
  280   1HB   LEU  39          HB2       LEU  39   4.560   6.045   4.945
  281   2HB   LEU  39          HB3       LEU  39   4.615   5.354   6.557
  282    HG   LEU  39           HG       LEU  39   2.628   7.265   6.764
  283   1HD1  LEU  39          HD11      LEU  39   2.352   5.862   4.108
  284   2HD1  LEU  39          HD12      LEU  39   1.128   6.863   4.888
  285   3HD1  LEU  39          HD13      LEU  39   2.638   7.587   4.337
  286   1HD2  LEU  39          HD21      LEU  39   1.252   5.466   7.224
  287   2HD2  LEU  39          HD22      LEU  39   2.015   4.441   6.008
  288   3HD2  LEU  39          HD23      LEU  39   2.860   4.795   7.516
  289    H    TYR  40           HN       TYR  40   6.666   7.181   4.393
  290    HA   TYR  40           HA       TYR  40   8.993   6.296   5.966
  291   1HB   TYR  40          HB2       TYR  40   9.757   5.624   3.509
  292   2HB   TYR  40          HB3       TYR  40   8.744   4.577   4.482
  293    HD1  TYR  40           HD1      TYR  40   6.407   4.185   3.885
  294    HD2  TYR  40           HD2      TYR  40   8.834   6.873   1.642
  295    HE1  TYR  40           HE1      TYR  40   4.710   4.238   2.110
  296    HE2  TYR  40           HE2      TYR  40   7.147   6.924  -0.137
  297    HH   TYR  40           HH       TYR  40   5.297   5.498  -0.969
  298    HA   PRO  41           HA       PRO  41  10.221  10.467   4.373
  299   1HB   PRO  41          HB2       PRO  41  11.315  11.387   6.656
  300   2HB   PRO  41          HB3       PRO  41   9.575  11.463   6.355
  301   1HG   PRO  41          HG2       PRO  41  11.132   9.499   7.990
  302   2HG   PRO  41          HG3       PRO  41   9.586  10.286   8.359
  303   1HD   PRO  41          HD2       PRO  41   9.788   7.739   7.396
  304   2HD   PRO  41          HD3       PRO  41   8.385   8.786   7.109
  305    H    GLU  42           HN       GLU  42  11.707   7.671   5.370
  306    HA   GLU  42           HA       GLU  42  14.425   8.656   5.341
  307   1HB   GLU  42          HB2       GLU  42  15.013   6.231   5.564
  308   2HB   GLU  42          HB3       GLU  42  13.989   6.858   6.846
  309   1HG   GLU  42          HG2       GLU  42  12.042   5.838   5.832
  310   2HG   GLU  42          HG3       GLU  42  13.021   5.267   4.481
  311    H    VAL  43           HN       VAL  43  12.374   6.622   3.248
  312    HA   VAL  43           HA       VAL  43  14.453   6.549   1.222
  313    HB   VAL  43           HB       VAL  43  13.011   4.559   1.625
  314   1HG1  VAL  43          HG11      VAL  43  10.838   6.118   0.252
  315   2HG1  VAL  43          HG12      VAL  43  10.736   4.499   0.946
  316   3HG1  VAL  43          HG13      VAL  43  10.918   5.902   2.001
  317   1HG2  VAL  43          HG21      VAL  43  14.180   4.904  -0.515
  318   2HG2  VAL  43          HG22      VAL  43  12.670   4.011  -0.709
  319   3HG2  VAL  43          HG23      VAL  43  12.746   5.719  -1.143
  320    HA   PRO  44           HA       PRO  44  13.162  10.378  -0.696
  321   1HB   PRO  44          HB2       PRO  44  14.274   9.024  -3.109
  322   2HB   PRO  44          HB3       PRO  44  14.597  10.644  -2.478
  323   1HG   PRO  44          HG2       PRO  44  16.375   8.699  -2.155
  324   2HG   PRO  44          HG3       PRO  44  16.062   9.864  -0.856
  325   1HD   PRO  44          HD2       PRO  44  15.169   7.027  -1.113
  326   2HD   PRO  44          HD3       PRO  44  15.650   7.934   0.334
  327    HA   PRO  45           HA       PRO  45   9.322   9.340  -2.619
  328   1HB   PRO  45          HB2       PRO  45   9.562  11.746  -4.302
  329   2HB   PRO  45          HB3       PRO  45   8.376  11.365  -3.049
  330   1HG   PRO  45          HG2       PRO  45  10.250  13.226  -2.640
  331   2HG   PRO  45          HG3       PRO  45   9.743  12.133  -1.330
  332   1HD   PRO  45          HD2       PRO  45  12.161  11.957  -3.111
  333   2HD   PRO  45          HD3       PRO  45  12.056  11.777  -1.345
  334    H    GLU  46           HN       GLU  46  12.209   9.350  -4.264
  335    HA   GLU  46           HA       GLU  46  10.951   8.458  -6.775
  336   1HB   GLU  46          HB2       GLU  46  12.372  10.435  -7.054
  337   2HB   GLU  46          HB3       GLU  46  13.724   9.579  -6.326
  338   1HG   GLU  46          HG2       GLU  46  13.671   7.967  -8.183
  339   2HG   GLU  46          HG3       GLU  46  12.365   8.892  -8.923
  340    H    GLU  47           HN       GLU  47  13.407   7.740  -4.347
  341    HA   GLU  47           HA       GLU  47  14.340   5.351  -5.607
  342   1HB   GLU  47          HB2       GLU  47  14.572   6.256  -2.728
  343   2HB   GLU  47          HB3       GLU  47  15.447   4.905  -3.443
  344   1HG   GLU  47          HG2       GLU  47  16.272   6.705  -5.141
  345   2HG   GLU  47          HG3       GLU  47  15.819   7.830  -3.862
  346    H    PHE  48           HN       PHE  48  11.438   6.048  -4.265
  347    HA   PHE  48           HA       PHE  48  11.004   3.615  -2.801
  348   1HB   PHE  48          HB2       PHE  48   9.858   5.856  -2.382
  349   2HB   PHE  48          HB3       PHE  48   8.861   5.483  -3.786
  350    HD1  PHE  48           HD1      PHE  48  10.049   3.737  -0.712
  351    HD2  PHE  48           HD2      PHE  48   6.814   4.584  -3.340
  352    HE1  PHE  48           HE1      PHE  48   8.546   2.420   0.719
  353    HE2  PHE  48           HE2      PHE  48   5.303   3.267  -1.914
  354    HZ   PHE  48           HZ       PHE  48   6.191   2.131   0.092
  355    H    ARG  49           HN       ARG  49  10.720   4.616  -6.087
  356    HA   ARG  49           HA       ARG  49   8.735   2.920  -7.027
  357   1HB   ARG  49          HB2       ARG  49  11.200   3.932  -8.381
  358   2HB   ARG  49          HB3       ARG  49   9.942   3.042  -9.216
  359   1HG   ARG  49          HG2       ARG  49   9.490   5.616  -7.727
  360   2HG   ARG  49          HG3       ARG  49   9.800   5.514  -9.461
  361   1HD   ARG  49          HD2       ARG  49   7.809   4.022  -9.652
  362   2HD   ARG  49          HD3       ARG  49   7.472   4.334  -7.949
  363    HE   ARG  49           HE       ARG  49   7.723   6.770  -9.363
  364   1HH1  ARG  49          HH12      ARG  49   5.553   4.080  -8.909
  365   2HH1  ARG  49          HH11      ARG  49   4.132   4.997  -9.285
  366   1HH2  ARG  49          HH22      ARG  49   5.859   7.983  -9.860
  367   2HH2  ARG  49          HH21      ARG  49   4.306   7.216  -9.826
  368    HA   PRO  50           HA       PRO  50  12.245  -0.395  -7.958
  369   1HB   PRO  50          HB2       PRO  50  14.152  -0.357  -5.922
  370   2HB   PRO  50          HB3       PRO  50  14.400   0.218  -7.572
  371   1HG   PRO  50          HG2       PRO  50  13.762   1.756  -5.102
  372   2HG   PRO  50          HG3       PRO  50  14.810   2.198  -6.462
  373   1HD   PRO  50          HD2       PRO  50  12.363   3.254  -6.178
  374   2HD   PRO  50          HD3       PRO  50  13.021   2.869  -7.782
  375    H    PHE  51           HN       PHE  51  11.402   0.745  -4.742
  376    HA   PHE  51           HA       PHE  51  11.097  -1.945  -3.714
  377   1HB   PHE  51          HB2       PHE  51  11.342   0.691  -2.592
  378   2HB   PHE  51          HB3       PHE  51   9.890  -0.080  -1.959
  379    HD1  PHE  51           HD1      PHE  51  10.050  -2.147  -0.661
  380    HD2  PHE  51           HD2      PHE  51  13.522  -0.102  -2.027
  381    HE1  PHE  51           HE1      PHE  51  11.425  -3.431   0.924
  382    HE2  PHE  51           HE2      PHE  51  14.905  -1.383  -0.446
  383    HZ   PHE  51           HZ       PHE  51  13.849  -3.052   1.037
  384    H    LEU  52           HN       LEU  52   9.202   0.481  -5.246
  385    HA   LEU  52           HA       LEU  52   6.653  -0.485  -4.353
  386   1HB   LEU  52          HB2       LEU  52   7.659   1.707  -5.953
  387   2HB   LEU  52          HB3       LEU  52   6.273   0.963  -6.712
  388    HG   LEU  52           HG       LEU  52   6.424   2.318  -4.036
  389   1HD1  LEU  52          HD11      LEU  52   5.979   3.496  -6.298
  390   2HD1  LEU  52          HD12      LEU  52   4.380   2.755  -6.171
  391   3HD1  LEU  52          HD13      LEU  52   4.948   3.859  -4.915
  392   1HD2  LEU  52          HD21      LEU  52   4.237   0.540  -5.091
  393   2HD2  LEU  52          HD22      LEU  52   5.181   0.319  -3.619
  394   3HD2  LEU  52          HD23      LEU  52   4.044   1.660  -3.742
  395    H    ALA  53           HN       ALA  53   8.904  -1.382  -6.763
  396    HA   ALA  53           HA       ALA  53   7.322  -2.354  -8.812
  397   1HB   ALA  53          HB1       ALA  53   9.834  -3.627  -7.723
  398   2HB   ALA  53          HB2       ALA  53   9.146  -3.882  -9.327
  399   3HB   ALA  53          HB3       ALA  53   9.777  -2.296  -8.881
  400    H    LYS  54           HN       LYS  54   7.604  -3.442  -5.585
  401    HA   LYS  54           HA       LYS  54   6.046  -5.855  -6.219
  402   1HB   LYS  54          HB2       LYS  54   7.930  -5.395  -3.899
  403   2HB   LYS  54          HB3       LYS  54   6.984  -6.855  -4.170
  404   1HG   LYS  54          HG2       LYS  54   8.202  -7.318  -6.201
  405   2HG   LYS  54          HG3       LYS  54   9.086  -5.800  -6.050
  406   1HD   LYS  54          HD2       LYS  54   9.179  -8.010  -4.004
  407   2HD   LYS  54          HD3       LYS  54  10.351  -7.828  -5.311
  408   1HE   LYS  54          HE2       LYS  54   9.776  -5.819  -3.135
  409   2HE   LYS  54          HE3       LYS  54  11.199  -6.856  -3.246
  410   1HZ   LYS  54          HZ1       LYS  54  10.437  -4.773  -5.222
  411   2HZ   LYS  54          HZ2       LYS  54  11.820  -5.746  -5.289
  412   3HZ   LYS  54          HZ3       LYS  54  11.643  -4.613  -4.047
  413    H    MET  55           HN       MET  55   5.959  -2.829  -4.820
  414    HA   MET  55           HA       MET  55   3.712  -3.565  -3.056
  415   1HB   MET  55          HB2       MET  55   5.758  -1.358  -2.866
  416   2HB   MET  55          HB3       MET  55   4.232  -1.283  -1.987
  417   1HG   MET  55          HG2       MET  55   4.947  -2.694  -0.423
  418   2HG   MET  55          HG3       MET  55   5.573  -3.828  -1.621
  419   1HE   MET  55          HE1       MET  55   6.545  -0.055  -1.222
  420   2HE   MET  55          HE2       MET  55   6.321  -0.564   0.452
  421   3HE   MET  55          HE3       MET  55   7.932  -0.151  -0.138
  422    H    ARG  56           HN       ARG  56   4.065  -2.668  -6.041
  423    HA   ARG  56           HA       ARG  56   2.250  -0.375  -6.057
  424   1HB   ARG  56          HB2       ARG  56   4.212  -1.508  -7.929
  425   2HB   ARG  56          HB3       ARG  56   2.718  -0.983  -8.691
  426   1HG   ARG  56          HG2       ARG  56   3.003   1.239  -7.922
  427   2HG   ARG  56          HG3       ARG  56   4.327   0.766  -6.857
  428   1HD   ARG  56          HD2       ARG  56   5.170   1.867  -8.862
  429   2HD   ARG  56          HD3       ARG  56   5.689   0.183  -8.799
  430    HE   ARG  56           HE       ARG  56   3.319   0.326 -10.281
  431   1HH1  ARG  56          HH12      ARG  56   6.650   1.328 -10.496
  432   2HH1  ARG  56          HH11      ARG  56   6.693   1.259 -12.227
  433   1HH2  ARG  56          HH22      ARG  56   3.368   0.234 -12.562
  434   2HH2  ARG  56          HH21      ARG  56   4.828   0.637 -13.399
  435    H    GLY  57           HN       GLY  57   2.352  -3.782  -6.717
  436   1HA   GLY  57          HA1       GLY  57   0.156  -4.101  -8.390
  437   2HA   GLY  57          HA2       GLY  57   0.692  -5.288  -7.208
  438    H    ILE  58           HN       ILE  58   0.234  -3.092  -5.114
  439    HA   ILE  58           HA       ILE  58  -2.571  -3.770  -4.674
  440    HB   ILE  58           HB       ILE  58  -0.823  -2.285  -2.737
  441   1HG1  ILE  58          HG12      ILE  58  -0.901  -5.029  -2.038
  442   2HG1  ILE  58          HG13      ILE  58  -0.392  -4.942  -3.721
  443   1HG2  ILE  58          HG21      ILE  58  -2.289  -3.363  -1.086
  444   2HG2  ILE  58          HG22      ILE  58  -3.190  -2.370  -2.232
  445   3HG2  ILE  58          HG23      ILE  58  -3.184  -4.126  -2.400
  446   1HD1  ILE  58          HD11      ILE  58   1.522  -4.932  -2.249
  447   2HD1  ILE  58          HD12      ILE  58   1.390  -3.386  -3.086
  448   3HD1  ILE  58          HD13      ILE  58   0.890  -3.521  -1.399
  449    H    LEU  59           HN       LEU  59  -0.551  -1.075  -5.484
  450    HA   LEU  59           HA       LEU  59  -2.436   0.947  -4.720
  451   1HB   LEU  59          HB2       LEU  59  -0.085   1.487  -4.753
  452   2HB   LEU  59          HB3       LEU  59   0.050   1.055  -6.444
  453    HG   LEU  59           HG       LEU  59  -0.013   3.552  -5.778
  454   1HD1  LEU  59          HD11      LEU  59  -1.074   4.153  -7.854
  455   2HD1  LEU  59          HD12      LEU  59  -0.119   2.688  -8.083
  456   3HD1  LEU  59          HD13      LEU  59  -1.873   2.584  -7.941
  457   1HD2  LEU  59          HD21      LEU  59  -2.228   4.544  -5.651
  458   2HD2  LEU  59          HD22      LEU  59  -2.967   2.944  -5.706
  459   3HD2  LEU  59          HD23      LEU  59  -1.977   3.411  -4.322
  460    H    LYS  60           HN       LYS  60  -1.266  -0.131  -7.933
  461    HA   LYS  60           HA       LYS  60  -3.219   1.285  -9.373
  462   1HB   LYS  60          HB2       LYS  60  -2.277   0.388 -11.237
  463   2HB   LYS  60          HB3       LYS  60  -1.000  -0.021 -10.103
  464   1HG   LYS  60          HG2       LYS  60  -3.221  -1.884 -10.918
  465   2HG   LYS  60          HG3       LYS  60  -1.609  -1.864 -11.630
  466   1HD   LYS  60          HD2       LYS  60  -0.620  -2.434  -9.494
  467   2HD   LYS  60          HD3       LYS  60  -2.200  -2.350  -8.711
  468   1HE   LYS  60          HE2       LYS  60  -1.629  -4.659  -9.127
  469   2HE   LYS  60          HE3       LYS  60  -2.981  -4.190 -10.157
  470   1HZ   LYS  60          HZ1       LYS  60  -1.419  -3.890 -11.988
  471   2HZ   LYS  60          HZ2       LYS  60  -1.362  -5.472 -11.391
  472   3HZ   LYS  60          HZ3       LYS  60  -0.138  -4.374 -10.996
  473    H    SER  61           HN       SER  61  -3.442  -1.530  -7.501
  474    HA   SER  61           HA       SER  61  -5.646  -2.754  -8.858
  475   1HB   SER  61          HB2       SER  61  -4.111  -4.068  -7.460
  476   2HB   SER  61          HB3       SER  61  -4.609  -3.147  -6.038
  477    HG   SER  61           HG       SER  61  -5.671  -5.256  -6.443
  478    H    ILE  62           HN       ILE  62  -5.318  -0.899  -5.848
  479    HA   ILE  62           HA       ILE  62  -8.182  -0.777  -5.487
  480    HB   ILE  62           HB       ILE  62  -5.972   0.559  -3.921
  481   1HG1  ILE  62          HG12      ILE  62  -7.527  -1.958  -3.282
  482   2HG1  ILE  62          HG13      ILE  62  -5.906  -1.945  -3.967
  483   1HG2  ILE  62          HG21      ILE  62  -8.893   0.156  -3.277
  484   2HG2  ILE  62          HG22      ILE  62  -7.681   0.774  -2.154
  485   3HG2  ILE  62          HG23      ILE  62  -8.089   1.691  -3.603
  486   1HD1  ILE  62          HD11      ILE  62  -5.865  -2.334  -1.567
  487   2HD1  ILE  62          HD12      ILE  62  -5.066  -0.817  -1.982
  488   3HD1  ILE  62          HD13      ILE  62  -6.691  -0.800  -1.297
  489    H    ALA  63           HN       ALA  63  -5.711   1.280  -6.825
  490    HA   ALA  63           HA       ALA  63  -7.286   3.688  -6.597
  491   1HB   ALA  63          HB1       ALA  63  -4.726   3.253  -8.118
  492   2HB   ALA  63          HB2       ALA  63  -5.447   4.800  -7.673
  493   3HB   ALA  63          HB3       ALA  63  -4.833   3.721  -6.421
  494    H    SER  64           HN       SER  64  -5.924   1.994  -9.453
  495    HA   SER  64           HA       SER  64  -7.723   3.434 -11.181
  496   1HB   SER  64          HB2       SER  64  -6.572   2.393 -13.006
  497   2HB   SER  64          HB3       SER  64  -5.363   2.850 -11.805
  498    HG   SER  64           HG       SER  64  -5.024   0.731 -12.570
  499    H    ALA  65           HN       ALA  65  -7.936   0.488  -9.463
  500    HA   ALA  65           HA       ALA  65 -10.169  -0.324 -11.211
  501   1HB   ALA  65          HB1       ALA  65  -9.718  -2.646 -10.678
  502   2HB   ALA  65          HB2       ALA  65  -8.295  -1.885 -11.389
  503   3HB   ALA  65          HB3       ALA  65  -8.369  -2.166  -9.652
  504    H    ASP  66           HN       ASP  66  -8.967  -0.174  -7.894
  505    HA   ASP  66           HA       ASP  66 -10.014  -0.248  -5.874
  506   1HB   ASP  66          HB2       ASP  66 -11.074   1.782  -6.673
  507   2HB   ASP  66          HB3       ASP  66 -12.288   0.848  -7.541
  508    H    MET  67           HN       MET  67 -10.004  -2.456  -5.510
  509    HA   MET  67           HA       MET  67 -12.208  -4.075  -6.495
  510   1HB   MET  67          HB2       MET  67  -9.922  -4.888  -4.694
  511   2HB   MET  67          HB3       MET  67 -11.016  -5.961  -5.557
  512   1HG   MET  67          HG2       MET  67 -10.130  -4.851  -7.682
  513   2HG   MET  67          HG3       MET  67  -8.842  -4.223  -6.658
  514   1HE   MET  67          HE1       MET  67  -7.258  -7.212  -8.755
  515   2HE   MET  67          HE2       MET  67  -8.534  -6.112  -9.274
  516   3HE   MET  67          HE3       MET  67  -7.135  -5.488  -8.402
  517    H    ASP  68           HN       ASP  68 -12.987  -5.758  -4.719
  518    HA   ASP  68           HA       ASP  68 -14.248  -4.130  -2.666
  519   1HB   ASP  68          HB2       ASP  68 -14.724  -6.986  -3.537
  520   2HB   ASP  68          HB3       ASP  68 -15.634  -6.172  -2.268
  521    H    PHE  69           HN       PHE  69 -13.298  -7.532  -2.368
  522    HA   PHE  69           HA       PHE  69 -11.241  -7.035  -0.460
  523   1HB   PHE  69          HB2       PHE  69 -12.411  -8.029   1.493
  524   2HB   PHE  69          HB3       PHE  69 -13.086  -6.483   0.999
  525    HD1  PHE  69           HD1      PHE  69 -13.675 -10.046   1.357
  526    HD2  PHE  69           HD2      PHE  69 -15.270  -6.384  -0.111
  527    HE1  PHE  69           HE1      PHE  69 -15.904 -11.078   1.213
  528    HE2  PHE  69           HE2      PHE  69 -17.501  -7.409  -0.256
  529    HZ   PHE  69           HZ       PHE  69 -17.823  -9.754   0.413
  530    H    ASN  70           HN       ASN  70 -13.608  -9.311  -1.750
  531    HA   ASN  70           HA       ASN  70 -12.097 -11.637  -1.048
  532   1HB   ASN  70          HB2       ASN  70 -14.533 -11.726  -1.324
  533   2HB   ASN  70          HB3       ASN  70 -14.366 -11.301  -3.024
  534   1HD2  ASN  70          HD21      ASN  70 -13.940 -13.778  -0.629
  535   2HD2  ASN  70          HD22      ASN  70 -13.724 -15.090  -1.732
  536    H    GLN  71           HN       GLN  71 -11.686  -9.285  -3.385
  537    HA   GLN  71           HA       GLN  71 -10.514 -11.071  -5.368
  538   1HB   GLN  71          HB2       GLN  71 -10.717  -8.055  -5.402
  539   2HB   GLN  71          HB3       GLN  71 -10.276  -9.089  -6.754
  540   1HG   GLN  71          HG2       GLN  71 -12.516 -10.098  -6.687
  541   2HG   GLN  71          HG3       GLN  71 -12.950  -9.001  -5.377
  542   1HE2  GLN  71          HE21      GLN  71 -14.126  -9.292  -8.025
  543   2HE2  GLN  71          HE22      GLN  71 -14.010  -7.742  -8.778
  544    H    LEU  72           HN       LEU  72  -9.543  -8.510  -3.127
  545    HA   LEU  72           HA       LEU  72  -6.779  -8.602  -3.874
  546   1HB   LEU  72          HB2       LEU  72  -8.161  -7.412  -1.470
  547   2HB   LEU  72          HB3       LEU  72  -6.453  -7.237  -1.808
  548    HG   LEU  72           HG       LEU  72  -8.700  -6.203  -3.530
  549   1HD1  LEU  72          HD11      LEU  72  -8.072  -4.033  -2.751
  550   2HD1  LEU  72          HD12      LEU  72  -8.344  -5.062  -1.344
  551   3HD1  LEU  72          HD13      LEU  72  -6.699  -4.693  -1.862
  552   1HD2  LEU  72          HD21      LEU  72  -6.759  -6.823  -4.867
  553   2HD2  LEU  72          HD22      LEU  72  -6.914  -5.069  -4.776
  554   3HD2  LEU  72          HD23      LEU  72  -5.707  -5.900  -3.794
  555    H    GLU  73           HN       GLU  73  -8.780 -10.202  -1.514
  556    HA   GLU  73           HA       GLU  73  -7.015 -11.074   0.381
  557   1HB   GLU  73          HB2       GLU  73  -9.410 -11.551   0.456
  558   2HB   GLU  73          HB3       GLU  73  -9.247 -12.661  -0.896
  559   1HG   GLU  73          HG2       GLU  73  -7.837 -14.117   0.460
  560   2HG   GLU  73          HG3       GLU  73  -7.984 -12.999   1.815
  561    H    ALA  74           HN       ALA  74  -7.638 -12.618  -2.762
  562    HA   ALA  74           HA       ALA  74  -5.579 -14.595  -2.316
  563   1HB   ALA  74          HB1       ALA  74  -7.623 -15.177  -3.529
  564   2HB   ALA  74          HB2       ALA  74  -7.202 -14.019  -4.791
  565   3HB   ALA  74          HB3       ALA  74  -6.187 -15.435  -4.519
  566    H    PHE  75           HN       PHE  75  -5.728 -11.434  -3.600
  567    HA   PHE  75           HA       PHE  75  -3.651 -11.636  -5.524
  568   1HB   PHE  75          HB2       PHE  75  -5.248  -9.805  -5.593
  569   2HB   PHE  75          HB3       PHE  75  -4.685  -9.223  -4.029
  570    HD1  PHE  75           HD1      PHE  75  -2.770  -7.849  -3.854
  571    HD2  PHE  75           HD2      PHE  75  -3.739  -9.704  -7.560
  572    HE1  PHE  75           HE1      PHE  75  -1.088  -6.456  -4.989
  573    HE2  PHE  75           HE2      PHE  75  -2.058  -8.315  -8.700
  574    HZ   PHE  75           HZ       PHE  75  -0.731  -6.690  -7.414
  575    H    LEU  76           HN       LEU  76  -3.675 -10.630  -2.116
  576    HA   LEU  76           HA       LEU  76  -0.997  -9.844  -1.953
  577   1HB   LEU  76          HB2       LEU  76  -3.039  -9.789  -0.235
  578   2HB   LEU  76          HB3       LEU  76  -2.223 -11.212   0.384
  579    HG   LEU  76           HG       LEU  76  -1.509  -9.293   1.645
  580   1HD1  LEU  76          HD11      LEU  76   0.884  -9.389   1.352
  581   2HD1  LEU  76          HD12      LEU  76   0.192 -10.998   1.143
  582   3HD1  LEU  76          HD13      LEU  76   0.689 -10.061  -0.267
  583   1HD2  LEU  76          HD21      LEU  76  -0.253  -7.454   0.471
  584   2HD2  LEU  76          HD22      LEU  76  -0.898  -8.089  -1.041
  585   3HD2  LEU  76          HD23      LEU  76  -1.995  -7.486   0.202
  586    H    THR  77           HN       THR  77  -2.495 -13.021  -1.601
  587    HA   THR  77           HA       THR  77  -0.278 -14.445  -0.673
  588    HB   THR  77           HB       THR  77  -2.394 -15.517  -2.550
  589    HG1  THR  77           HG1      THR  77  -2.565 -14.615   0.035
  590   1HG2  THR  77          HG21      THR  77  -0.491 -17.018  -2.163
  591   2HG2  THR  77          HG22      THR  77  -1.963 -17.642  -1.420
  592   3HG2  THR  77          HG23      THR  77  -0.731 -16.870  -0.422
  593    H    ALA  78           HN       ALA  78  -0.977 -13.120  -3.774
  594    HA   ALA  78           HA       ALA  78   0.823 -14.797  -5.257
  595   1HB   ALA  78          HB1       ALA  78   0.395 -13.273  -7.111
  596   2HB   ALA  78          HB2       ALA  78  -1.113 -13.749  -6.331
  597   3HB   ALA  78          HB3       ALA  78  -0.424 -12.156  -6.018
  598    H    GLN  79           HN       GLN  79   1.021 -11.793  -3.510
  599    HA   GLN  79           HA       GLN  79   3.508 -10.937  -4.637
  600   1HB   GLN  79          HB2       GLN  79   2.346 -10.114  -1.978
  601   2HB   GLN  79          HB3       GLN  79   3.495  -9.222  -2.963
  602   1HG   GLN  79          HG2       GLN  79   1.676  -9.114  -4.723
  603   2HG   GLN  79          HG3       GLN  79   0.578  -9.685  -3.469
  604   1HE2  GLN  79          HE21      GLN  79   1.966  -8.266  -1.346
  605   2HE2  GLN  79          HE22      GLN  79   1.561  -6.597  -1.531
  606    H    THR  80           HN       THR  80   2.639 -13.310  -2.407
  607    HA   THR  80           HA       THR  80   5.311 -13.310  -1.179
  608    HB   THR  80           HB       THR  80   4.366 -14.745   0.562
  609    HG1  THR  80           HG1      THR  80   1.758 -14.492   0.092
  610   1HG2  THR  80          HG21      THR  80   4.241 -12.355   0.934
  611   2HG2  THR  80          HG22      THR  80   2.784 -13.121   1.566
  612   3HG2  THR  80          HG23      THR  80   2.733 -12.261   0.026
  613    H    LYS  81           HN       LYS  81   4.001 -14.539  -3.805
  614    HA   LYS  81           HA       LYS  81   5.379 -17.124  -3.513
  615   1HB   LYS  81          HB2       LYS  81   2.761 -16.579  -4.916
  616   2HB   LYS  81          HB3       LYS  81   3.681 -18.065  -5.112
  617   1HG   LYS  81          HG2       LYS  81   3.452 -18.536  -2.736
  618   2HG   LYS  81          HG3       LYS  81   2.557 -17.031  -2.517
  619   1HD   LYS  81          HD2       LYS  81   0.753 -17.818  -3.862
  620   2HD   LYS  81          HD3       LYS  81   1.680 -19.227  -4.383
  621   1HE   LYS  81          HE2       LYS  81   0.770 -18.663  -1.563
  622   2HE   LYS  81          HE3       LYS  81   0.013 -19.802  -2.675
  623   1HZ   LYS  81          HZ1       LYS  81   2.810 -19.978  -1.691
  624   2HZ   LYS  81          HZ2       LYS  81   2.041 -21.092  -2.707
  625   3HZ   LYS  81          HZ3       LYS  81   1.514 -20.897  -1.111
  626    H    LYS  82           HN       LYS  82   4.915 -14.255  -5.309
  627    HA   LYS  82           HA       LYS  82   5.798 -15.160  -7.850
  628   1HB   LYS  82          HB2       LYS  82   6.084 -12.807  -8.393
  629   2HB   LYS  82          HB3       LYS  82   4.568 -13.046  -7.536
  630   1HG   LYS  82          HG2       LYS  82   5.426 -12.096  -5.555
  631   2HG   LYS  82          HG3       LYS  82   7.083 -12.167  -6.155
  632   1HD   LYS  82          HD2       LYS  82   6.462  -9.914  -6.381
  633   2HD   LYS  82          HD3       LYS  82   6.307 -10.590  -8.003
  634   1HE   LYS  82          HE2       LYS  82   3.873 -10.926  -7.540
  635   2HE   LYS  82          HE3       LYS  82   4.098 -10.045  -6.030
  636   1HZ   LYS  82          HZ1       LYS  82   3.285  -8.585  -7.760
  637   2HZ   LYS  82          HZ2       LYS  82   4.595  -8.977  -8.756
  638   3HZ   LYS  82          HZ3       LYS  82   4.853  -8.130  -7.315
  639    H    GLN  83           HN       GLN  83   7.835 -13.644  -8.687
  640    HA   GLN  83           HA       GLN  83  10.112 -14.957  -7.598
  641   1HB   GLN  83          HB2       GLN  83  10.063 -12.589  -9.478
  642   2HB   GLN  83          HB3       GLN  83  11.394 -13.712  -9.234
  643   1HG   GLN  83          HG2       GLN  83   9.989 -15.525 -10.133
  644   2HG   GLN  83          HG3       GLN  83   8.713 -14.347 -10.443
  645   1HE2  GLN  83          HE21      GLN  83   8.980 -12.840 -12.091
  646   2HE2  GLN  83          HE22      GLN  83  10.174 -13.028 -13.325
  647    H    GLY  84           HN       GLY  84  10.286 -14.392  -5.434
  648   1HA   GLY  84          HA1       GLY  84  11.506 -13.134  -3.864
  649   2HA   GLY  84          HA2       GLY  84  11.462 -11.763  -4.963
  650    H    GLY  85           HN       GLY  85   9.311 -10.716  -5.262
  651   1HA   GLY  85          HA1       GLY  85   7.509  -9.620  -4.372
  652   2HA   GLY  85          HA2       GLY  85   7.138 -11.131  -3.560
  653    H    ILE  86           HN       ILE  86   6.462 -10.206  -1.649
  654    HA   ILE  86           HA       ILE  86   8.456  -8.624  -0.179
  655    HB   ILE  86           HB       ILE  86   6.603  -7.865   1.230
  656   1HG1  ILE  86          HG12      ILE  86   4.836  -9.418  -0.676
  657   2HG1  ILE  86          HG13      ILE  86   5.199  -9.904   0.977
  658   1HG2  ILE  86          HG21      ILE  86   7.195  -6.539  -0.698
  659   2HG2  ILE  86          HG22      ILE  86   6.167  -7.525  -1.735
  660   3HG2  ILE  86          HG23      ILE  86   5.444  -6.508  -0.488
  661   1HD1  ILE  86          HD11      ILE  86   3.023  -8.863   0.849
  662   2HD1  ILE  86          HD12      ILE  86   4.123  -7.862   1.796
  663   3HD1  ILE  86          HD13      ILE  86   3.733  -7.415   0.136
  664    H    THR  87           HN       THR  87   8.199  -8.922   2.293
  665    HA   THR  87           HA       THR  87   8.620 -11.747   2.824
  666    HB   THR  87           HB       THR  87   9.457 -11.035   5.010
  667    HG1  THR  87           HG1      THR  87   9.323  -8.331   4.408
  668   1HG2  THR  87          HG21      THR  87  10.996 -10.999   3.104
  669   2HG2  THR  87          HG22      THR  87  11.383  -9.724   4.260
  670   3HG2  THR  87          HG23      THR  87  10.538  -9.330   2.763
  671    H    SER  88           HN       SER  88   7.894 -12.320   5.239
  672    HA   SER  88           HA       SER  88   5.069 -12.532   5.137
  673   1HB   SER  88          HB2       SER  88   6.973 -13.135   7.413
  674   2HB   SER  88          HB3       SER  88   5.286 -13.642   7.334
  675    HG   SER  88           HG       SER  88   6.176 -14.523   5.140
  676    H    ASP  89           HN       ASP  89   7.288 -10.490   6.961
  677    HA   ASP  89           HA       ASP  89   5.361  -9.369   8.702
  678   1HB   ASP  89          HB2       ASP  89   7.773  -9.257   9.157
  679   2HB   ASP  89          HB3       ASP  89   7.993  -8.216   7.753
  680    H    GLN  90           HN       GLN  90   6.548  -8.463   5.510
  681    HA   GLN  90           HA       GLN  90   5.111  -5.990   5.418
  682   1HB   GLN  90          HB2       GLN  90   6.632  -7.625   3.416
  683   2HB   GLN  90          HB3       GLN  90   5.637  -6.280   2.875
  684   1HG   GLN  90          HG2       GLN  90   6.913  -4.834   4.492
  685   2HG   GLN  90          HG3       GLN  90   8.005  -6.198   4.725
  686   1HE2  GLN  90          HE21      GLN  90   7.767  -7.051   1.936
  687   2HE2  GLN  90          HE22      GLN  90   8.707  -5.933   1.015
  688    H    ALA  91           HN       ALA  91   4.487  -9.292   4.454
  689    HA   ALA  91           HA       ALA  91   2.143  -8.678   2.918
  690   1HB   ALA  91          HB1       ALA  91   3.093 -11.316   4.027
  691   2HB   ALA  91          HB2       ALA  91   1.828 -11.093   2.818
  692   3HB   ALA  91          HB3       ALA  91   3.495 -10.658   2.442
  693    H    ALA  92           HN       ALA  92   2.830  -9.108   6.243
  694    HA   ALA  92           HA       ALA  92   0.259 -10.032   7.072
  695   1HB   ALA  92          HB1       ALA  92   1.029  -9.578   9.324
  696   2HB   ALA  92          HB2       ALA  92   2.290 -10.396   8.402
  697   3HB   ALA  92          HB3       ALA  92   2.395  -8.659   8.695
  698    H    VAL  93           HN       VAL  93   1.718  -6.841   6.682
  699    HA   VAL  93           HA       VAL  93  -0.564  -5.561   7.926
  700    HB   VAL  93           HB       VAL  93   2.078  -4.832   7.688
  701   1HG1  VAL  93          HG11      VAL  93   0.471  -2.992   5.923
  702   2HG1  VAL  93          HG12      VAL  93   2.123  -2.719   6.476
  703   3HG1  VAL  93          HG13      VAL  93   1.768  -4.065   5.392
  704   1HG2  VAL  93          HG21      VAL  93   1.295  -2.699   8.739
  705   2HG2  VAL  93          HG22      VAL  93  -0.356  -3.241   8.443
  706   3HG2  VAL  93          HG23      VAL  93   0.701  -4.174   9.501
  707    H    ILE  94           HN       ILE  94   0.739  -5.952   4.655
  708    HA   ILE  94           HA       ILE  94  -1.121  -4.162   3.443
  709    HB   ILE  94           HB       ILE  94   0.363  -6.407   2.078
  710   1HG1  ILE  94          HG12      ILE  94   1.256  -3.541   2.436
  711   2HG1  ILE  94          HG13      ILE  94   1.826  -4.872   3.438
  712   1HG2  ILE  94          HG21      ILE  94   0.155  -4.979   0.097
  713   2HG2  ILE  94          HG22      ILE  94  -1.426  -5.402   0.754
  714   3HG2  ILE  94          HG23      ILE  94  -0.751  -3.799   1.044
  715   1HD1  ILE  94          HD11      ILE  94   2.786  -5.946   1.484
  716   2HD1  ILE  94          HD12      ILE  94   2.178  -4.649   0.457
  717   3HD1  ILE  94          HD13      ILE  94   3.410  -4.308   1.671
  718    H    SER  95           HN       SER  95  -1.108  -7.648   4.026
  719    HA   SER  95           HA       SER  95  -3.309  -8.350   2.452
  720   1HB   SER  95          HB2       SER  95  -1.850 -10.024   3.485
  721   2HB   SER  95          HB3       SER  95  -2.420  -9.552   5.085
  722    HG   SER  95           HG       SER  95  -4.375 -10.244   3.246
  723    H    LYS  96           HN       LYS  96  -3.162  -6.415   5.211
  724    HA   LYS  96           HA       LYS  96  -5.864  -6.920   6.120
  725   1HB   LYS  96          HB2       LYS  96  -4.030  -4.694   7.004
  726   2HB   LYS  96          HB3       LYS  96  -5.375  -5.407   7.886
  727   1HG   LYS  96          HG2       LYS  96  -4.186  -7.413   8.259
  728   2HG   LYS  96          HG3       LYS  96  -2.902  -6.936   7.143
  729   1HD   LYS  96          HD2       LYS  96  -2.076  -6.600   9.348
  730   2HD   LYS  96          HD3       LYS  96  -2.430  -5.006   8.675
  731   1HE   LYS  96          HE2       LYS  96  -4.586  -5.007   9.867
  732   2HE   LYS  96          HE3       LYS  96  -4.178  -6.571  10.572
  733   1HZ   LYS  96          HZ1       LYS  96  -2.272  -5.546  11.649
  734   2HZ   LYS  96          HZ2       LYS  96  -3.702  -4.764  12.098
  735   3HZ   LYS  96          HZ3       LYS  96  -2.665  -4.046  10.972
  736    H    PHE  97           HN       PHE  97  -4.693  -5.378   3.538
  737    HA   PHE  97           HA       PHE  97  -5.593  -2.823   3.421
  738   1HB   PHE  97          HB2       PHE  97  -6.128  -3.385   0.924
  739   2HB   PHE  97          HB3       PHE  97  -4.476  -3.420   1.520
  740    HD1  PHE  97           HD1      PHE  97  -3.962  -4.739  -0.503
  741    HD2  PHE  97           HD2      PHE  97  -6.582  -6.207   2.512
  742    HE1  PHE  97           HE1      PHE  97  -3.671  -7.025  -1.368
  743    HE2  PHE  97           HE2      PHE  97  -6.290  -8.492   1.653
  744    HZ   PHE  97           HZ       PHE  97  -4.834  -8.902  -0.285
  745    H    TRP  98           HN       TRP  98  -7.716  -5.549   3.786
  746    HA   TRP  98           HA       TRP  98  -9.933  -3.664   3.437
  747   1HB   TRP  98          HB2       TRP  98 -11.332  -5.408   2.360
  748   2HB   TRP  98          HB3       TRP  98  -9.976  -4.877   1.381
  749    HD1  TRP  98           HD1      TRP  98  -8.548  -6.724   0.354
  750    HE1  TRP  98           HE1      TRP  98  -8.293  -9.261   0.691
  751    HE3  TRP  98           HE3      TRP  98 -11.565  -7.320   4.444
  752    HZ2  TRP  98           HZ2      TRP  98  -9.249 -11.252   2.443
  753    HZ3  TRP  98           HZ3      TRP  98 -11.844  -9.575   5.382
  754    HH2  TRP  98           HH2      TRP  98 -10.711 -11.500   4.401
  755    H    LYS  99           HN       LYS  99  -8.510  -6.052   5.366
  756    HA   LYS  99           HA       LYS  99 -10.850  -7.086   6.588
  757   1HB   LYS  99          HB2       LYS  99  -9.381  -7.992   8.271
  758   2HB   LYS  99          HB3       LYS  99  -8.641  -8.197   6.693
  759   1HG   LYS  99          HG2       LYS  99  -6.840  -7.477   7.879
  760   2HG   LYS  99          HG3       LYS  99  -7.462  -5.930   7.312
  761   1HD   LYS  99          HD2       LYS  99  -6.866  -5.843   9.684
  762   2HD   LYS  99          HD3       LYS  99  -8.595  -5.591   9.449
  763   1HE   LYS  99          HE2       LYS  99  -8.966  -7.976   9.969
  764   2HE   LYS  99          HE3       LYS  99  -7.246  -8.145  10.312
  765   1HZ   LYS  99          HZ1       LYS  99  -7.465  -6.531  12.087
  766   2HZ   LYS  99          HZ2       LYS  99  -8.542  -7.813  12.333
  767   3HZ   LYS  99          HZ3       LYS  99  -9.112  -6.333  11.749
  768    H    SER 100           HN       SER 100  -9.064  -4.160   6.969
  769    HA   SER 100           HA       SER 100  -9.788  -3.472   9.594
  770   1HB   SER 100          HB2       SER 100  -8.018  -2.302   8.380
  771   2HB   SER 100          HB3       SER 100  -9.201  -1.671   7.234
  772    HG   SER 100           HG       SER 100  -9.585  -1.191   9.965
  773    H    HIS 101           HN       HIS 101 -11.669  -3.676   6.764
  774    HA   HIS 101           HA       HIS 101 -13.827  -2.151   8.069
  775   1HB   HIS 101          HB2       HIS 101 -12.938  -1.002   6.057
  776   2HB   HIS 101          HB3       HIS 101 -13.354  -2.415   5.094
  777    HD1  HIS 101           HD1      HIS 101 -15.772  -2.667   4.366
  778    HD2  HIS 101           HD2      HIS 101 -15.171   0.513   6.972
  779    HE1  HIS 101           HE1      HIS 101 -17.916  -1.354   4.331
  780    HE2  HIS 101           HE2      HIS 101 -17.487   0.626   5.827
  781    H    LYS 102           HN       LYS 102 -12.832  -5.088   6.580
  782    HA   LYS 102           HA       LYS 102 -15.598  -6.084   6.629
  783   1HB   LYS 102          HB2       LYS 102 -13.222  -7.102   5.067
  784   2HB   LYS 102          HB3       LYS 102 -14.828  -7.806   5.047
  785   1HG   LYS 102          HG2       LYS 102 -14.164  -5.012   4.151
  786   2HG   LYS 102          HG3       LYS 102 -14.370  -6.401   3.083
  787   1HD   LYS 102          HD2       LYS 102 -16.681  -6.649   3.851
  788   2HD   LYS 102          HD3       LYS 102 -16.472  -5.268   4.931
  789   1HE   LYS 102          HE2       LYS 102 -16.035  -3.831   2.993
  790   2HE   LYS 102          HE3       LYS 102 -16.258  -5.213   1.922
  791   1HZ   LYS 102          HZ1       LYS 102 -18.540  -5.397   2.689
  792   2HZ   LYS 102          HZ2       LYS 102 -18.253  -3.857   2.050
  793   3HZ   LYS 102          HZ3       LYS 102 -18.327  -4.076   3.725
  794    H    THR 103           HN       THR 103 -15.202  -6.319   8.992
  795    HA   THR 103           HA       THR 103 -14.367  -9.031   9.564
  796    HB   THR 103           HB       THR 103 -13.019  -8.167  11.596
  797    HG1  THR 103           HG1      THR 103 -13.497  -5.855  10.216
  798   1HG2  THR 103          HG21      THR 103 -11.850  -7.882   8.826
  799   2HG2  THR 103          HG22      THR 103 -12.047  -9.402   9.699
  800   3HG2  THR 103          HG23      THR 103 -10.951  -8.167  10.316
  801    H    LYS 104           HN       LYS 104 -14.927  -6.040  11.418
  802    HA   LYS 104           HA       LYS 104 -17.274  -7.312  12.643
  803   1HB   LYS 104          HB2       LYS 104 -15.113  -5.799  14.124
  804   2HB   LYS 104          HB3       LYS 104 -16.608  -6.394  14.834
  805   1HG   LYS 104          HG2       LYS 104 -15.945  -8.602  14.712
  806   2HG   LYS 104          HG3       LYS 104 -14.743  -8.280  13.463
  807   1HD   LYS 104          HD2       LYS 104 -13.554  -8.692  15.479
  808   2HD   LYS 104          HD3       LYS 104 -13.469  -6.956  15.179
  809   1HE   LYS 104          HE2       LYS 104 -15.280  -6.585  16.774
  810   2HE   LYS 104          HE3       LYS 104 -15.397  -8.322  17.057
  811   1HZ   LYS 104          HZ1       LYS 104 -14.125  -7.275  18.798
  812   2HZ   LYS 104          HZ2       LYS 104 -13.055  -6.603  17.674
  813   3HZ   LYS 104          HZ3       LYS 104 -13.109  -8.278  17.890
  814    H    ILE 105           HN       ILE 105 -16.372  -4.984  10.705
  815    HA   ILE 105           HA       ILE 105 -17.754  -2.742  11.947
  816    HB   ILE 105           HB       ILE 105 -16.396  -2.979   9.260
  817   1HG1  ILE 105          HG12      ILE 105 -14.854  -1.259  10.405
  818   2HG1  ILE 105          HG13      ILE 105 -15.593  -1.793  11.912
  819   1HG2  ILE 105          HG21      ILE 105 -18.115  -1.376   9.006
  820   2HG2  ILE 105          HG22      ILE 105 -17.786  -0.671  10.589
  821   3HG2  ILE 105          HG23      ILE 105 -16.629  -0.465   9.274
  822   1HD1  ILE 105          HD11      ILE 105 -14.154  -3.590   9.974
  823   2HD1  ILE 105          HD12      ILE 105 -13.446  -2.892  11.430
  824   3HD1  ILE 105          HD13      ILE 105 -14.784  -4.032  11.560
  825    H    ARG 106           HN       ARG 106 -18.123  -4.905   9.161
  826    HA   ARG 106           HA       ARG 106 -20.870  -3.902   8.827
  827   1HB   ARG 106          HB2       ARG 106 -19.198  -5.430   6.826
  828   2HB   ARG 106          HB3       ARG 106 -20.777  -4.711   6.541
  829   1HG   ARG 106          HG2       ARG 106 -18.264  -3.184   7.197
  830   2HG   ARG 106          HG3       ARG 106 -18.952  -3.384   5.586
  831   1HD   ARG 106          HD2       ARG 106 -20.300  -2.041   7.928
  832   2HD   ARG 106          HD3       ARG 106 -19.546  -1.218   6.563
  833    HE   ARG 106           HE       ARG 106 -21.445  -2.971   5.536
  834   1HH1  ARG 106          HH12      ARG 106 -21.334  -0.117   7.531
  835   2HH1  ARG 106          HH11      ARG 106 -22.906   0.433   7.056
  836   1HH2  ARG 106          HH22      ARG 106 -23.513  -2.255   4.904
  837   2HH2  ARG 106          HH21      ARG 106 -24.146  -0.783   5.562
  838    H    GLU 107           HN       GLU 107 -18.901  -6.851   8.835
  839    HA   GLU 107           HA       GLU 107 -19.379  -9.020   9.314
  840   1HB   GLU 107          HB2       GLU 107 -20.180  -7.821  11.429
  841   2HB   GLU 107          HB3       GLU 107 -21.808  -8.021  10.793
  842   1HG   GLU 107          HG2       GLU 107 -21.430 -10.466  10.723
  843   2HG   GLU 107          HG3       GLU 107 -19.861 -10.208  11.484
  844    H    SER 108           HN       SER 108 -20.838  -7.477   7.075
  845    HA   SER 108           HA       SER 108 -22.312  -7.932   5.406
  846   1HB   SER 108          HB2       SER 108 -21.029 -10.012   5.229
  847   2HB   SER 108          HB3       SER 108 -22.047 -10.759   6.460
  848    HG   SER 108           HG       SER 108 -22.635 -11.247   4.243