*HEADER    TRANSPORT PROTEIN                       25-JUN-04   1TUJ              
*TITLE     SOLUTION STRUCTURE OF THE HONEY BEE GENERAL ODORANT BINDING           
*TITLE    2 PROTEIN ASP2 IN COMPLEX WITH TRIMETHYLSILYL-D4 PROPIONATE            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ODORANT BINDING PROTEIN ASP2;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-123;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: APIS MELLIFERA;                                 
*SOURCE   3 ORGANISM_COMMON: HONEY BEE;                                          
*SOURCE   4 GENE: ASP2;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: GS115;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PHIL-D2;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PNATASP2                                  
*KEYWDS    ALPHA HELIX, COMPLEX, TSP, ODORANT-BINDING PROTEIN                    
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    E.LESCOP, L.BRIAND, J.-C.PERNOLLET, E.GUITTET                         
*REVDAT   1   20-SEP-05 1TUJ    0                                                

# Unambiguous restraints calibrated and assigned using by Aria from 15N-NOESY-HSQC experiment
 ASSI {    1}
   (( segid "PROT" and resid 83   and name HN  ))
   (( segid "PROT" and resid 82   and name HB2 ))
      4.400     2.400     1.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.74967E-03 ppm1      8.743 ppm2      3.121 CV     1
 ASSI {    2}
   (( segid "PROT" and resid 2    and name HN  ))
   (( segid "PROT" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.12121E-02 ppm1      8.796 ppm2      3.840 CV     1
 ASSI {    3}
   (( segid "PROT" and resid 2    and name HN  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      3.600     1.600     1.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.51326E-03 ppm1      8.796 ppm2      2.915 CV     1
 ASSI {    4}
   (( segid "PROT" and resid 2    and name HN  ))
   (( segid "PROT" and resid 2    and name HB1 ))
      4.100     2.100     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.92775E-03 ppm1      8.797 ppm2      2.719 CV     1
 ASSI {    5}
   (( segid "PROT" and resid 83   and name HN  ))
   (( segid "PROT" and resid 82   and name HA  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.42924E-02 ppm1      8.742 ppm2      4.987 CV     1
 ASSI {    6}
   (( segid "PROT" and resid 83   and name HN  ))
   (( segid "PROT" and resid 83   and name HA  ))
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14530E-02 ppm1      8.742 ppm2      4.005 CV     1
 ASSI {    8}
   (( segid "PROT" and resid 83   and name HN  ))
   (  segid "PROT" and resid 83   and name HB% )
      2.800     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.29537E-02 ppm1      8.743 ppm2      1.468 CV     1
 ASSI {    9}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 67   and name HN  ))
      4.800     2.900     1.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.23702E-03 ppm1      8.733 ppm2      9.148 CV     1
 ASSI {   10}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 63   and name HN  ))
      3.800     1.800     1.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.64050E-03 ppm1      8.734 ppm2      9.051 CV     1
 ASSI {   12}
   (( segid "PROT" and resid 62   and name HN  ))
   (  segid "PROT" and resid 67   and name HD% )
      3.500     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.69319E-03 ppm1      8.732 ppm2      7.121 CV     1
 ASSI {   13}
   (( segid "PROT" and resid 62   and name HN  ))
   (  segid "PROT" and resid 67   and name HE% )
      3.300     1.400     1.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.11689E-02 ppm1      8.732 ppm2      6.764 CV     1
 ASSI {   14}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.49409E-03 ppm1      8.734 ppm2      6.676 CV     1
 ASSI {   15}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 61   and name HA  ))
      2.300     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.57419E-02 ppm1      8.731 ppm2      5.217 CV     1
 ASSI {   16}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HA  ))
      2.600     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.32340E-02 ppm1      8.732 ppm2      4.514 CV     1
 ASSI {   18}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 65   and name HB2 ))
      3.400     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.78977E-03 ppm1      8.736 ppm2      2.116 CV     1
 ASSI {   19}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HB1 ))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.51533E-02 ppm1      8.733 ppm2      1.816 CV     1
 OR {   19}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HB2 ))
 ASSI {   20}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 61   and name HG  ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.29159E-02 ppm1      8.734 ppm2      1.381 CV     1
 OR {   20}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 61   and name HB2 ))
 ASSI {   21}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HG1 ))
      3.800     1.800     1.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.11025E-02 ppm1      8.734 ppm2      1.284 CV     1
 ASSI {   22}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HG2 ))
      3.200     1.200     1.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.11711E-02 ppm1      8.734 ppm2      1.174 CV     1
 ASSI {   23}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 61   and name HB1 ))
      4.500     2.600     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.43954E-03 ppm1      8.733 ppm2      0.946 CV     1
 ASSI {   24}
   (( segid "PROT" and resid 62   and name HN  ))
   (  segid "PROT" and resid 61   and name HD1%)
      3.300     3.300     2.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.16973E-02 ppm1      8.735 ppm2      0.843 CV     1
 ASSI {   25}
   (( segid "PROT" and resid 62   and name HN  ))
   (  segid "PROT" and resid 61   and name HD2%)
      3.200     1.300     1.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.38368E-02 ppm1      8.733 ppm2      0.689 CV     1
 ASSI {   28}
   (( segid "PROT" and resid 2    and name HN  ))
   (( segid "PROT" and resid 2    and name HA  ))
      4.700     2.700     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.13673E-03 ppm1      8.800 ppm2      4.879 CV     1
 ASSI {   33}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 106  and name HA  ))
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.17858E-02 ppm1      9.184 ppm2      3.873 CV     1
 ASSI {   34}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 105  and name HB2 ))
      4.500     2.600     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.61049E-03 ppm1      9.182 ppm2      2.927 CV     1
 ASSI {   35}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      4.500     2.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.38157E-03 ppm1      9.181 ppm2      2.614 CV     1
 ASSI {   36}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 106  and name HG1 ))
      3.800     1.800     1.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      9.182 ppm2      2.328 CV     1
 ASSI {   37}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 106  and name HB2 ))
      3.000     1.100     1.100 peak    37 spectrum    1 weight  0.10000E+01 volume  0.16528E-02 ppm1      9.182 ppm2      2.212 CV     1
 ASSI {   38}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 106  and name HB1 ))
      2.600     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.53131E-02 ppm1      9.183 ppm2      2.022 CV     1
 ASSI {   40}
   (( segid "PROT" and resid 106  and name HN  ))
   (  segid "PROT" and resid 64   and name HG2%)
      4.500     2.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.24849E-03 ppm1      9.182 ppm2      1.120 CV     1
 ASSI {   42}
   (( segid "PROT" and resid 106  and name HN  ))
   (  segid "PROT" and resid 109  and name HD1%)
      4.600     2.600     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.25630E-03 ppm1      9.183 ppm2      0.746 CV     1
 ASSI {   44}
   (( segid "PROT" and resid 50   and name HN  ))
   (( segid "PROT" and resid 51   and name HN  ))
      2.600     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.32672E-02 ppm1      8.035 ppm2      8.260 CV     1
 ASSI {   45}
   (( segid "PROT" and resid 50   and name HN  ))
   (( segid "PROT" and resid 50   and name HA  ))
      3.100     1.200     1.200 peak    45 spectrum    1 weight  0.10000E+01 volume  0.13182E-02 ppm1      8.024 ppm2      3.984 CV     1
 ASSI {   46}
   (( segid "PROT" and resid 50   and name HN  ))
   (( segid "PROT" and resid 50   and name HB1 ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.21957E-02 ppm1      8.027 ppm2      2.247 CV     1
 ASSI {   47}
   (( segid "PROT" and resid 50   and name HN  ))
   (( segid "PROT" and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.22913E-02 ppm1      8.027 ppm2      1.482 CV     1
 ASSI {   49}
   (( segid "PROT" and resid 50   and name HN  ))
   (( segid "PROT" and resid 49   and name HB2 ))
      3.300     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.64288E-03 ppm1      8.023 ppm2      3.051 CV     1
 ASSI {   50}
   (( segid "PROT" and resid 50   and name HN  ))
   (  segid "PROT" and resid 50   and name HD1%)
      3.900     1.900     1.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.10443E-02 ppm1      8.033 ppm2      0.933 CV     1
 ASSI {   52}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.42653E-02 ppm1      8.804 ppm2      8.516 CV     1
 ASSI {   53}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 2    and name HA  ))
      2.000     0.500     0.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.16639E-01 ppm1      8.805 ppm2      4.879 CV     1
 ASSI {   54}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 3    and name HA  ))
      2.900     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.24162E-02 ppm1      8.806 ppm2      3.820 CV     1
 ASSI {   55}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.15392E-02 ppm1      8.806 ppm2      2.928 CV     1
 ASSI {   57}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 3    and name HB1 ))
      2.200     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.11284E-01 ppm1      8.805 ppm2      1.877 CV     1
 OR {   57}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 3    and name HB2 ))
 ASSI {   61}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 89   and name HA  ))
      3.300     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.95682E-03 ppm1      7.604 ppm2      3.407 CV     1
 ASSI {   63}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 91   and name HA1 ))
      2.900     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.29500E-02 ppm1      7.602 ppm2      3.973 CV     1
 OR {   63}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 91   and name HA2 ))
 ASSI {   64}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 92   and name HA  ))
      2.900     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.20073E-02 ppm1      7.601 ppm2      3.562 CV     1
 ASSI {   65}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 92   and name HB  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.41420E-02 ppm1      7.600 ppm2      1.832 CV     1
 ASSI {   66}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 92   and name HG11))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.37050E-02 ppm1      7.600 ppm2      1.698 CV     1
 ASSI {   67}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 92   and name HG12))
      2.800     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.21771E-02 ppm1      7.600 ppm2      0.809 CV     1
 ASSI {   68}
   (( segid "PROT" and resid 92   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
      3.200     1.300     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.31271E-02 ppm1      7.600 ppm2      0.491 CV     1
 OR {   68}
   (( segid "PROT" and resid 92   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
 ASSI {   69}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      4.800     2.800     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.43827E-03 ppm1      7.594 ppm2      1.554 CV     1
 OR {   69}
   (( segid "PROT" and resid 92   and name HN  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 ASSI {   70}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 67   and name HA  ))
      5.400     3.600     0.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.32944E-03 ppm1      8.919 ppm2      4.557 CV     1
 ASSI {   71}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 67   and name HB2 ))
      5.100     3.300     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.54743E-03 ppm1      8.920 ppm2      2.809 CV     1
 ASSI {   72}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 69   and name HG2 ))
      3.300     1.400     1.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.14822E-02 ppm1      8.920 ppm2      2.323 CV     1
 ASSI {   73}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 70   and name HG1 ))
      5.000     3.200     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.54820E-03 ppm1      8.921 ppm2      1.902 CV     1
 ASSI {   74}
   (( segid "PROT" and resid 69   and name HN  ))
   (  segid "PROT" and resid 68   and name HG2%)
      3.900     1.900     1.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.50023E-03 ppm1      8.920 ppm2      0.716 CV     1
 ASSI {   76}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 68   and name HA  ))
      4.000     2.000     2.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.43531E-03 ppm1      8.917 ppm2      3.911 CV     1
 ASSI {   77}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19784E-02 ppm1      8.919 ppm2      3.830 CV     1
 ASSI {   78}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 70   and name HD2 ))
      2.200     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.31790E-02 ppm1      8.918 ppm2      3.698 CV     1
 ASSI {   79}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 70   and name HD1 ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      8.918 ppm2      3.591 CV     1
 ASSI {   80}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 67   and name HB1 ))
      3.200     1.300     1.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.14345E-02 ppm1      8.918 ppm2      3.140 CV     1
 ASSI {   81}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 69   and name HG1 ))
      2.800     1.000     1.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.15387E-02 ppm1      8.919 ppm2      2.507 CV     1
 ASSI {   82}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.15208E-02 ppm1      8.918 ppm2      2.190 CV     1
 ASSI {   83}
   (( segid "PROT" and resid 69   and name HN  ))
   (( segid "PROT" and resid 69   and name HB1 ))
      3.300     1.400     1.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.26745E-02 ppm1      8.918 ppm2      1.996 CV     1
 ASSI {   85}
   (( segid "PROT" and resid 69   and name HN  ))
   (  segid "PROT" and resid 68   and name HG1%)
      3.400     1.400     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16969E-02 ppm1      8.917 ppm2      0.568 CV     1
 ASSI {   87}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 15   and name HG1 ))
      4.300     2.300     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.73484E-03 ppm1      8.312 ppm2      2.840 CV     1
 ASSI {   89}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 12   and name HA  ))
      3.600     1.600     1.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.69627E-03 ppm1      8.307 ppm2      4.026 CV     1
 ASSI {   90}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 16   and name HD1 ))
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13661E-02 ppm1      8.305 ppm2      3.627 CV     1
 ASSI {   91}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 16   and name HD2 ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      8.305 ppm2      3.501 CV     1
 ASSI {   92}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.35009E-02 ppm1      8.305 ppm2      2.206 CV     1
 OR {   92}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 15   and name HB1 ))
 ASSI {   94}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 15   and name HG2 ))
      3.000     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.65533E-02 ppm1      8.303 ppm2      2.577 CV     1
 ASSI {   96}
   (( segid "PROT" and resid 22   and name HN  ))
   (( segid "PROT" and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.27737E-02 ppm1      8.860 ppm2      7.958 CV     1
 ASSI {   97}
   (( segid "PROT" and resid 22   and name HN  ))
   (( segid "PROT" and resid 21   and name HN  ))
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.24470E-02 ppm1      8.861 ppm2      6.773 CV     1
 ASSI {   98}
   (( segid "PROT" and resid 22   and name HN  ))
   (( segid "PROT" and resid 22   and name HA  ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.16698E-02 ppm1      8.860 ppm2      3.832 CV     1
 ASSI {   99}
   (( segid "PROT" and resid 22   and name HN  ))
   (( segid "PROT" and resid 18   and name HA  ))
      5.800     4.200     0.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.44220E-04 ppm1      8.861 ppm2      3.466 CV     1
 ASSI {  100}
   (( segid "PROT" and resid 22   and name HN  ))
   (( segid "PROT" and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.19929E-02 ppm1      8.860 ppm2      3.245 CV     1
 ASSI {  102}
   (( segid "PROT" and resid 22   and name HN  ))
   (  segid "PROT" and resid 22   and name HB% )
      2.300     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.10344E-01 ppm1      8.859 ppm2      1.429 CV     1
 ASSI {  107}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.26842E-02 ppm1      8.800 ppm2      8.321 CV     1
 ASSI {  108}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      8.794 ppm2      4.228 CV     1
 ASSI {  109}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 28   and name HB2 ))
      3.300     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.69621E-03 ppm1      8.787 ppm2      4.048 CV     1
 ASSI {  110}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 29   and name HB1 ))
      3.200     1.200     1.200 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12737E-02 ppm1      8.793 ppm2      2.028 CV     1
 OR {  110}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 29   and name HB2 ))
 ASSI {  111}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 108  and name HB1 ))
      4.200     2.200     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.40995E-03 ppm1      8.423 ppm2      3.033 CV     1
 ASSI {  112}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 103  and name HB2 ))
      4.500     2.600     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.42437E-03 ppm1      8.424 ppm2      1.953 CV     1
 ASSI {  113}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 109  and name HG11))
      4.200     2.200     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.22405E-03 ppm1      8.428 ppm2      1.719 CV     1
 ASSI {  114}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 106  and name HN  ))
      4.300     2.300     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.62954E-03 ppm1      8.421 ppm2      9.190 CV     1
 ASSI {  115}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 108  and name HD22))
      4.400     2.400     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.49887E-03 ppm1      8.420 ppm2      7.680 CV     1
 ASSI {  116}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 103  and name HN  ))
      6.000     4.800     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.11206E-03 ppm1      8.418 ppm2      7.499 CV     1
 ASSI {  119}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 105  and name HB2 ))
      2.300     0.700     0.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.94854E-02 ppm1      8.421 ppm2      2.928 CV     1
 ASSI {  120}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.38635E-02 ppm1      8.420 ppm2      2.615 CV     1
 ASSI {  121}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 103  and name HG1 ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.30462E-02 ppm1      8.422 ppm2      2.168 CV     1
 OR {  121}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI {  122}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 103  and name HB1 ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.25634E-02 ppm1      8.422 ppm2      2.084 CV     1
 ASSI {  123}
   (( segid "PROT" and resid 105  and name HN  ))
   (  segid "PROT" and resid 104  and name HG2%)
      4.100     2.100     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.87378E-03 ppm1      8.420 ppm2      1.198 CV     1
 ASSI {  129}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 116  and name HA  ))
      3.800     1.800     1.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.51223E-03 ppm1      7.954 ppm2      4.129 CV     1
 ASSI {  130}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 114  and name HA  ))
      4.100     2.100     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.50913E-03 ppm1      7.958 ppm2      3.722 CV     1
 ASSI {  131}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 117  and name HA  ))
      2.900     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.25069E-02 ppm1      7.957 ppm2      3.515 CV     1
 ASSI {  133}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 117  and name HB1 ))
      3.000     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.55405E-02 ppm1      7.955 ppm2      3.001 CV     1
 ASSI {  134}
   (( segid "PROT" and resid 117  and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      6.000     5.100     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.45262E-04 ppm1      7.951 ppm2      0.499 CV     1
 ASSI {  135}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 117  and name HB2 ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.954 ppm2      2.373 CV     1
 ASSI {  136}
   (( segid "PROT" and resid 97   and name HN  ))
   (  segid "PROT" and resid 113  and name HD% )
      4.200     2.200     1.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.45999E-03 ppm1      7.914 ppm2      6.707 CV     1
 ASSI {  137}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 45   and name HA  ))
      6.000     4.600     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.46928E-04 ppm1      8.504 ppm2      4.265 CV     1
 ASSI {  138}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 44   and name HG2 ))
      3.900     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.69557E-03 ppm1      8.500 ppm2      2.528 CV     1
 ASSI {  140}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 43   and name HB2 ))
      3.400     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.14524E-02 ppm1      8.496 ppm2      2.687 CV     1
 ASSI {  141}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 44   and name HB2 ))
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10368E-02 ppm1      8.497 ppm2      2.132 CV     1
 ASSI {  142}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 44   and name HB1 ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.28700E-02 ppm1      8.498 ppm2      2.061 CV     1
 ASSI {  143}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.19623E-03 ppm1      8.144 ppm2      3.985 CV     1
 ASSI {  148}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      3.000     3.000     3.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.79902E-03 ppm1      8.138 ppm2      2.734 CV     1
 ASSI {  149}
   (( segid "PROT" and resid 54   and name HN  ))
   (  segid "PROT" and resid 54   and name HG1%)
      3.300     1.300     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.35678E-02 ppm1      8.138 ppm2      0.984 CV     1
 ASSI {  150}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.52716E-03 ppm1      8.133 ppm2      3.845 CV     1
 ASSI {  151}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 98   and name HN  ))
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.21931E-02 ppm1      7.919 ppm2      7.469 CV     1
 ASSI {  152}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 96   and name HN  ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.12209E-02 ppm1      7.916 ppm2      8.553 CV     1
 ASSI {  153}
   (( segid "PROT" and resid 97   and name HN  ))
   (  segid "PROT" and resid 113  and name HE% )
      2.800     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.34652E-02 ppm1      7.916 ppm2      6.572 CV     1
 ASSI {  155}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 96   and name HB2 ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.13315E-02 ppm1      7.916 ppm2      2.435 CV     1
 ASSI {  156}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 97   and name HB  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.59663E-02 ppm1      7.917 ppm2      2.357 CV     1
 ASSI {  157}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 97   and name HG11))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.32758E-02 ppm1      7.916 ppm2      2.015 CV     1
 ASSI {  158}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 97   and name HG12))
      3.000     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      7.917 ppm2      1.505 CV     1
 ASSI {  159}
   (( segid "PROT" and resid 97   and name HN  ))
   (  segid "PROT" and resid 97   and name HG2%)
      3.600     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.12233E-02 ppm1      7.915 ppm2      0.949 CV     1
 ASSI {  160}
   (( segid "PROT" and resid 97   and name HN  ))
   (  segid "PROT" and resid 97   and name HD1%)
      3.400     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.20681E-02 ppm1      7.916 ppm2      0.728 CV     1
 ASSI {  162}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 98   and name HB2 ))
      3.900     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.92364E-03 ppm1      7.912 ppm2      2.196 CV     1
 OR {  162}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 98   and name HB1 ))
 ASSI {  164}
   (( segid "PROT" and resid 42   and name HN  ))
   (( segid "PROT" and resid 41   and name HA2 ))
      3.300     1.400     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17377E-02 ppm1      7.899 ppm2      4.049 CV     1
 ASSI {  167}
   (( segid "PROT" and resid 42   and name HN  ))
   (( segid "PROT" and resid 41   and name HN  ))
      3.200     1.300     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      7.896 ppm2      8.104 CV     1
 ASSI {  168}
   (( segid "PROT" and resid 42   and name HN  ))
   (( segid "PROT" and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      7.897 ppm2      4.290 CV     1
 ASSI {  169}
   (( segid "PROT" and resid 42   and name HN  ))
   (  segid "PROT" and resid 42   and name HB% )
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.34075E-02 ppm1      7.896 ppm2      1.335 CV     1
 ASSI {  170}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 97   and name HN  ))
      4.700     2.700     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.29820E-03 ppm1      8.607 ppm2      7.906 CV     1
 ASSI {  171}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 95   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      8.604 ppm2      4.090 CV     1
 ASSI {  172}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 92   and name HA  ))
      3.300     1.300     1.300 peak   172 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1      8.604 ppm2      3.561 CV     1
 ASSI {  173}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 94   and name HB1 ))
      3.000     1.100     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.22752E-02 ppm1      8.606 ppm2      3.189 CV     1
 ASSI {  174}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 94   and name HB2 ))
      3.100     1.200     1.200 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24069E-02 ppm1      8.605 ppm2      2.955 CV     1
 ASSI {  176}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 95   and name HB2 ))
      2.400     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.43903E-02 ppm1      8.605 ppm2      2.183 CV     1
 ASSI {  178}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 95   and name HB1 ))
      3.400     1.400     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.20188E-02 ppm1      8.603 ppm2      2.005 CV     1
 ASSI {  179}
   (( segid "PROT" and resid 95   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      5.200     3.400     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.11191E-03 ppm1      8.602 ppm2      0.498 CV     1
 OR {  179}
   (( segid "PROT" and resid 95   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI {  180}
   (( segid "PROT" and resid 37   and name HN  ))
   (( segid "PROT" and resid 36   and name HG2 ))
      4.700     2.700     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.28644E-03 ppm1      7.812 ppm2      2.364 CV     1
 OR {  180}
   (( segid "PROT" and resid 37   and name HN  ))
   (( segid "PROT" and resid 36   and name HG1 ))
 ASSI {  181}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 66   and name HA  ))
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.89951E-02 ppm1      9.147 ppm2      5.248 CV     1
 ASSI {  182}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 60   and name HA  ))
      3.400     1.400     1.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.13278E-02 ppm1      9.148 ppm2      4.826 CV     1
 ASSI {  183}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 67   and name HA  ))
      2.900     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.21329E-02 ppm1      9.147 ppm2      4.555 CV     1
 ASSI {  184}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.20723E-02 ppm1      9.147 ppm2      3.142 CV     1
 ASSI {  185}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      9.149 ppm2      2.799 CV     1
 ASSI {  186}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 60   and name HG2 ))
      3.300     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.11066E-02 ppm1      9.145 ppm2      2.383 CV     1
 OR {  186}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  188}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 66   and name HB1 ))
      3.100     1.200     1.200 peak   188 spectrum    1 weight  0.10000E+01 volume  0.23686E-02 ppm1      9.146 ppm2      0.938 CV     1
 ASSI {  191}
   (( segid "PROT" and resid 95   and name HN  ))
   (  segid "PROT" and resid 93   and name HB% )
      4.300     2.300     1.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.61795E-03 ppm1      8.605 ppm2      1.752 CV     1
 ASSI {  192}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 94   and name HA  ))
      4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.37840E-03 ppm1      8.604 ppm2      4.612 CV     1
 ASSI {  193}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 36   and name HN  ))
      3.200     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.14434E-02 ppm1      8.340 ppm2      8.063 CV     1
 ASSI {  194}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.20015E-02 ppm1      8.339 ppm2      4.799 CV     1
 ASSI {  195}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 35   and name HB  ))
      3.000     1.200     1.200 peak   195 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      8.339 ppm2      1.928 CV     1
 ASSI {  196}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 35   and name HG12))
      3.200     1.300     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      8.341 ppm2      1.217 CV     1
 ASSI {  197}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1      8.336 ppm2      7.529 CV     1
 ASSI {  198}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.13469E-02 ppm1      8.336 ppm2      3.929 CV     1
 ASSI {  199}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 35   and name HG11))
      3.500     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.75024E-03 ppm1      8.337 ppm2      1.555 CV     1
 ASSI {  200}
   (( segid "PROT" and resid 35   and name HN  ))
   (  segid "PROT" and resid 35   and name HD1%)
      5.200     3.400     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.16891E-03 ppm1      8.335 ppm2      0.843 CV     1
 ASSI {  201}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.31383E-02 ppm1      8.214 ppm2      8.559 CV     1
 ASSI {  202}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13175E-02 ppm1      8.213 ppm2      4.073 CV     1
 ASSI {  205}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.18270E-02 ppm1      8.209 ppm2      3.345 CV     1
 ASSI {  208}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 56   and name HG1 ))
      3.500     1.500     1.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      8.211 ppm2      1.800 CV     1
 ASSI {  210}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 56   and name HG2 ))
      4.400     2.400     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.67394E-03 ppm1      8.210 ppm2      1.529 CV     1
 ASSI {  212}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 108  and name HA  ))
      3.600     1.600     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.71752E-03 ppm1      8.201 ppm2      4.668 CV     1
 ASSI {  215}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 57   and name HD1 ))
      5.700     4.000     0.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.18048E-03 ppm1      8.205 ppm2      3.567 CV     1
 ASSI {  216}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 109  and name HA  ))
      2.800     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.29148E-02 ppm1      8.202 ppm2      3.427 CV     1
 ASSI {  217}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 108  and name HB1 ))
      3.200     1.300     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.12294E-02 ppm1      8.199 ppm2      3.041 CV     1
 ASSI {  218}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 108  and name HB2 ))
      3.400     1.400     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      8.200 ppm2      2.795 CV     1
 ASSI {  219}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 103  and name HG1 ))
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      8.202 ppm2      2.175 CV     1
 OR {  219}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI {  220}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 109  and name HB  ))
      2.300     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.71315E-02 ppm1      8.203 ppm2      1.951 CV     1
 ASSI {  221}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 109  and name HG11))
      2.300     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.53339E-02 ppm1      8.201 ppm2      1.712 CV     1
 ASSI {  223}
   (( segid "PROT" and resid 109  and name HN  ))
   (  segid "PROT" and resid 109  and name HD1%)
      3.400     1.500     1.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.24562E-02 ppm1      8.201 ppm2      0.748 CV     1
 ASSI {  224}
   (( segid "PROT" and resid 109  and name HN  ))
   (  segid "PROT" and resid 109  and name HG2%)
      4.100     2.100     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10860E-02 ppm1      8.198 ppm2      0.827 CV     1
 ASSI {  225}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.15921E-02 ppm1      7.975 ppm2      8.730 CV     1
 ASSI {  226}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.44100E-02 ppm1      7.979 ppm2      8.597 CV     1
 ASSI {  227}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 61   and name HA  ))
      4.400     2.500     1.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.29545E-03 ppm1      7.980 ppm2      5.223 CV     1
 ASSI {  228}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 64   and name HB  ))
      3.600     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.12512E-02 ppm1      7.975 ppm2      4.600 CV     1
 ASSI {  229}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 65   and name HA  ))
      2.600     0.800     0.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.39469E-02 ppm1      7.980 ppm2      4.404 CV     1
 ASSI {  230}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.43299E-02 ppm1      7.979 ppm2      4.246 CV     1
 ASSI {  232}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 63   and name HA2 ))
      4.600     2.600     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.55058E-03 ppm1      7.979 ppm2      3.671 CV     1
 ASSI {  233}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 65   and name HG2 ))
      3.500     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.14056E-02 ppm1      7.979 ppm2      2.246 CV     1
 OR {  233}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 65   and name HG1 ))
 ASSI {  234}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.50314E-02 ppm1      7.979 ppm2      2.109 CV     1
 ASSI {  235}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 65   and name HB1 ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.53849E-02 ppm1      7.979 ppm2      1.876 CV     1
 ASSI {  236}
   (( segid "PROT" and resid 65   and name HN  ))
   (  segid "PROT" and resid 64   and name HG2%)
      3.900     1.900     1.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      7.979 ppm2      1.117 CV     1
 ASSI {  237}
   (( segid "PROT" and resid 65   and name HN  ))
   (  segid "PROT" and resid 61   and name HD2%)
      3.700     1.800     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      7.979 ppm2      0.689 CV     1
 ASSI {  238}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 84   and name HN  ))
      2.300     0.600     0.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.75737E-02 ppm1      7.948 ppm2      8.261 CV     1
 ASSI {  239}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.32335E-02 ppm1      7.949 ppm2      4.325 CV     1
 ASSI {  240}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 83   and name HA  ))
      3.500     1.500     1.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.11774E-02 ppm1      7.950 ppm2      4.009 CV     1
 ASSI {  241}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 82   and name HB2 ))
      3.000     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.18231E-02 ppm1      7.947 ppm2      3.125 CV     1
 ASSI {  242}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 85   and name HB2 ))
      2.300     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.47767E-02 ppm1      7.950 ppm2      2.866 CV     1
 ASSI {  243}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 84   and name HB2 ))
      2.600     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.55051E-02 ppm1      7.950 ppm2      2.788 CV     1
 OR {  243}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 84   and name HB1 ))
 ASSI {  244}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 82   and name HB1 ))
      2.500     0.800     0.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45212E-02 ppm1      7.949 ppm2      2.711 CV     1
 ASSI {  245}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 85   and name HB1 ))
      3.000     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.39812E-02 ppm1      7.948 ppm2      2.328 CV     1
 ASSI {  247}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 82   and name HA  ))
      4.500     2.600     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.47364E-03 ppm1      7.946 ppm2      4.986 CV     1
 ASSI {  250}
   (( segid "PROT" and resid 37   and name HN  ))
   (( segid "PROT" and resid 36   and name HB2 ))
      3.500     1.600     1.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.11690E-02 ppm1      7.809 ppm2      2.047 CV     1
 ASSI {  251}
   (( segid "PROT" and resid 37   and name HN  ))
   (  segid "PROT" and resid 37   and name HB% )
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      7.811 ppm2      1.426 CV     1
 ASSI {  253}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 66   and name HB2 ))
      4.000     2.000     2.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.99455E-03 ppm1      9.145 ppm2      1.569 CV     1
 ASSI {  257}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 79   and name HD2 ))
      5.300     3.500     0.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.29691E-03 ppm1      8.832 ppm2      6.906 CV     1
 ASSI {  258}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.19292E-02 ppm1      8.830 ppm2      3.586 CV     1
 ASSI {  259}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 75   and name HG11))
      2.000     0.500     0.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.92787E-02 ppm1      8.830 ppm2      2.082 CV     1
 OR {  259}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 75   and name HB  ))
 ASSI {  260}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      2.900     2.900     3.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.27726E-02 ppm1      8.828 ppm2      1.314 CV     1
 ASSI {  261}
   (( segid "PROT" and resid 75   and name HN  ))
   (  segid "PROT" and resid 75   and name HD1%)
      3.400     1.400     1.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.34397E-02 ppm1      8.829 ppm2      1.003 CV     1
 OR {  261}
   (( segid "PROT" and resid 75   and name HN  ))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI {  262}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 34   and name HB2 ))
      5.100     3.300     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.10816E-03 ppm1      8.341 ppm2      2.892 CV     1
 ASSI {  263}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 34   and name HB1 ))
      4.700     2.800     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.17222E-03 ppm1      8.338 ppm2      2.812 CV     1
 ASSI {  265}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 89   and name HN  ))
      2.800     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.18467E-02 ppm1      7.868 ppm2      8.681 CV     1
 ASSI {  266}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 87   and name HG1 ))
      4.700     2.800     1.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24698E-03 ppm1      7.870 ppm2      2.431 CV     1
 OR {  266}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 87   and name HG2 ))
 ASSI {  267}
   (( segid "PROT" and resid 88   and name HN  ))
   (  segid "PROT" and resid 88   and name HD1%)
      4.000     2.000     2.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.11907E-02 ppm1      7.870 ppm2      0.889 CV     1
 ASSI {  268}
   (( segid "PROT" and resid 88   and name HN  ))
   (  segid "PROT" and resid 88   and name HD2%)
      4.100     2.100     1.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.85074E-03 ppm1      7.871 ppm2      0.827 CV     1
 ASSI {  270}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      7.867 ppm2      4.325 CV     1
 ASSI {  271}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 88   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.60894E-02 ppm1      7.867 ppm2      4.034 CV     1
 ASSI {  272}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 87   and name HA  ))
      3.400     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      7.868 ppm2      3.857 CV     1
 ASSI {  273}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 86   and name HA  ))
      5.700     4.000     0.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.45380E-04 ppm1      7.868 ppm2      3.162 CV     1
 ASSI {  274}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.59930E-02 ppm1      7.868 ppm2      2.132 CV     1
 OR {  274}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 87   and name HB2 ))
 ASSI {  275}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 88   and name HB2 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.44818E-02 ppm1      7.867 ppm2      1.856 CV     1
 ASSI {  276}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 88   and name HB1 ))
      2.400     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.83296E-02 ppm1      7.867 ppm2      1.762 CV     1
 ASSI {  277}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 92   and name HG11))
      3.800     3.800     2.200 peak   277 spectrum    1 weight  0.10000E+01 volume  0.11341E-02 ppm1      7.867 ppm2      1.670 CV     1
 ASSI {  279}
   (( segid "PROT" and resid 88   and name HN  ))
   (  segid "PROT" and resid 89   and name HG2%)
      4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.12635E-02 ppm1      7.868 ppm2      0.438 CV     1
 ASSI {  280}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 67   and name HN  ))
      4.600     2.600     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.43211E-03 ppm1      7.822 ppm2      9.152 CV     1
 ASSI {  281}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 66   and name HA  ))
      2.900     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.18892E-02 ppm1      7.824 ppm2      5.244 CV     1
 ASSI {  282}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 65   and name HA  ))
      2.300     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.82847E-02 ppm1      7.826 ppm2      4.406 CV     1
 ASSI {  283}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak   283 spectrum    1 weight  0.10000E+01 volume  0.54274E-02 ppm1      7.826 ppm2      2.126 CV     1
 ASSI {  284}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 65   and name HB1 ))
      3.200     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.27248E-02 ppm1      7.827 ppm2      1.877 CV     1
 ASSI {  285}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.42562E-02 ppm1      7.826 ppm2      1.570 CV     1
 ASSI {  286}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 66   and name HB1 ))
      3.200     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.35878E-02 ppm1      7.825 ppm2      0.938 CV     1
 ASSI {  288}
   (( segid "PROT" and resid 66   and name HN  ))
   (  segid "PROT" and resid 66   and name HD1%)
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.24750E-02 ppm1      7.826 ppm2      0.750 CV     1
 ASSI {  289}
   (( segid "PROT" and resid 66   and name HN  ))
   (  segid "PROT" and resid 66   and name HD2%)
      3.400     1.400     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.15831E-02 ppm1      7.824 ppm2      0.570 CV     1
 ASSI {  291}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 77   and name HN  ))
      4.900     3.000     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.15867E-03 ppm1      8.830 ppm2      7.230 CV     1
 ASSI {  292}
   (( segid "PROT" and resid 75   and name HN  ))
   (  segid "PROT" and resid 72   and name HD% )
      5.100     3.300     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.22702E-03 ppm1      8.831 ppm2      7.043 CV     1
 ASSI {  293}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11181E-02 ppm1      8.830 ppm2      4.406 CV     1
 ASSI {  294}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 74   and name HG1 ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.16187E-02 ppm1      8.831 ppm2      2.475 CV     1
 ASSI {  295}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 74   and name HG2 ))
      3.200     1.300     1.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.22980E-02 ppm1      8.831 ppm2      1.820 CV     1
 ASSI {  297}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 71   and name HA  ))
      5.000     3.100     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.18720E-03 ppm1      8.827 ppm2      3.816 CV     1
 ASSI {  298}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 76   and name HA  ))
      5.600     4.000     0.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.11046E-03 ppm1      8.825 ppm2      3.742 CV     1
 ASSI {  299}
   (( segid "PROT" and resid 93   and name HN  ))
   (  segid "PROT" and resid 117  and name HE% )
      4.300     2.300     1.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35580E-03 ppm1      8.753 ppm2      6.417 CV     1
 ASSI {  302}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 92   and name HA  ))
      3.500     1.500     1.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.94077E-03 ppm1      8.755 ppm2      3.561 CV     1
 ASSI {  303}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 89   and name HA  ))
      4.300     2.300     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.41535E-03 ppm1      8.755 ppm2      3.404 CV     1
 ASSI {  304}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 94   and name HB1 ))
      6.000     4.900     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12281E-03 ppm1      8.755 ppm2      3.189 CV     1
 ASSI {  305}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 92   and name HG12))
      5.000     3.200     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.22744E-03 ppm1      8.755 ppm2      0.809 CV     1
 ASSI {  306}
   (( segid "PROT" and resid 115  and name HN  ))
   (( segid "PROT" and resid 115  and name HB1 ))
      3.600     1.600     1.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.12767E-02 ppm1      8.544 ppm2      2.698 CV     1
 ASSI {  307}
   (( segid "PROT" and resid 115  and name HN  ))
   (( segid "PROT" and resid 115  and name HB2 ))
      3.300     1.400     1.400 peak   307 spectrum    1 weight  0.10000E+01 volume  0.75063E-03 ppm1      8.544 ppm2      2.559 CV     1
 ASSI {  309}
   (( segid "PROT" and resid 115  and name HN  ))
   (  segid "PROT" and resid 114  and name HG2%)
      4.600     2.700     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.14108E-03 ppm1      8.540 ppm2      1.311 CV     1
 ASSI {  310}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   310 spectrum    1 weight  0.10000E+01 volume  0.29622E-02 ppm1      8.410 ppm2      4.259 CV     1
 ASSI {  311}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 46   and name HA  ))
      3.100     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.15254E-02 ppm1      8.404 ppm2      4.363 CV     1
 ASSI {  313}
   (( segid "PROT" and resid 38   and name HN  ))
   (( segid "PROT" and resid 37   and name HN  ))
      2.900     1.100     1.100 peak   313 spectrum    1 weight  0.10000E+01 volume  0.22288E-02 ppm1      8.064 ppm2      7.814 CV     1
 ASSI {  315}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 65   and name HG1 ))
      4.700     2.700     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.41314E-03 ppm1      7.824 ppm2      2.243 CV     1
 OR {  315}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 65   and name HG2 ))
 ASSI {  316}
   (( segid "PROT" and resid 66   and name HN  ))
   (  segid "PROT" and resid 61   and name HD2%)
      4.100     2.100     1.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.55269E-03 ppm1      7.825 ppm2      0.677 CV     1
 ASSI {  317}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 91   and name HA2 ))
      4.800     2.900     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.761 ppm2      3.938 CV     1
 OR {  317}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI {  318}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 92   and name HG11))
      4.100     2.100     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10125E-02 ppm1      8.759 ppm2      1.692 CV     1
 ASSI {  321}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 92   and name HN  ))
      2.700     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      8.754 ppm2      7.610 CV     1
 ASSI {  323}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.27025E-02 ppm1      8.756 ppm2      4.220 CV     1
 ASSI {  324}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 90   and name HA  ))
      2.900     1.100     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.18296E-02 ppm1      8.757 ppm2      3.868 CV     1
 ASSI {  325}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 92   and name HB  ))
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.43358E-02 ppm1      8.755 ppm2      1.823 CV     1
 ASSI {  326}
   (( segid "PROT" and resid 93   and name HN  ))
   (  segid "PROT" and resid 93   and name HB% )
      2.500     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.49316E-02 ppm1      8.757 ppm2      1.747 CV     1
 ASSI {  331}
   (( segid "PROT" and resid 93   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      3.200     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      8.755 ppm2      0.494 CV     1
 OR {  331}
   (( segid "PROT" and resid 93   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI {  333}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 91   and name HN  ))
      4.900     2.900     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.24701E-03 ppm1      8.744 ppm2      7.534 CV     1
 ASSI {  336}
   (( segid "PROT" and resid 115  and name HN  ))
   (( segid "PROT" and resid 44   and name HA  ))
      3.200     3.200     2.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.60654E-03 ppm1      8.545 ppm2      4.598 CV     1
 ASSI {  337}
   (( segid "PROT" and resid 115  and name HN  ))
   (( segid "PROT" and resid 115  and name HA  ))
      3.000     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.19886E-02 ppm1      8.543 ppm2      4.321 CV     1
 ASSI {  339}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 92   and name HN  ))
      4.600     2.600     1.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.24224E-03 ppm1      8.500 ppm2      7.625 CV     1
 ASSI {  340}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 91   and name HN  ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.25058E-02 ppm1      8.496 ppm2      7.545 CV     1
 ASSI {  341}
   (( segid "PROT" and resid 90   and name HN  ))
   (  segid "PROT" and resid 72   and name HE% )
      4.700     2.700     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.43521E-03 ppm1      8.497 ppm2      6.971 CV     1
 ASSI {  343}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 89   and name HA  ))
      3.800     1.800     1.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.43526E-03 ppm1      8.494 ppm2      3.406 CV     1
 ASSI {  344}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 86   and name HA  ))
      4.100     2.100     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.36267E-03 ppm1      8.497 ppm2      3.162 CV     1
 ASSI {  346}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 90   and name HG1 ))
      3.100     1.200     1.200 peak   346 spectrum    1 weight  0.10000E+01 volume  0.29071E-02 ppm1      8.494 ppm2      1.816 CV     1
 ASSI {  349}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 90   and name HB2 ))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.24222E-02 ppm1      8.497 ppm2      1.461 CV     1
 ASSI {  353}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 90   and name HD2 ))
      3.300     1.400     1.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.15526E-02 ppm1      8.497 ppm2      0.792 CV     1
 ASSI {  354}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 90   and name HG2 ))
      3.700     1.700     1.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.20178E-02 ppm1      8.496 ppm2      0.694 CV     1
 ASSI {  355}
   (( segid "PROT" and resid 90   and name HN  ))
   (  segid "PROT" and resid 89   and name HG2%)
      3.800     1.800     1.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      8.497 ppm2      0.436 CV     1
 ASSI {  356}
   (( segid "PROT" and resid 7    and name HN  ))
   (( segid "PROT" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.18085E-02 ppm1      8.488 ppm2      7.703 CV     1
 ASSI {  361}
   (( segid "PROT" and resid 7    and name HN  ))
   (( segid "PROT" and resid 6    and name HB  ))
      2.500     0.800     0.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.27472E-02 ppm1      8.483 ppm2      2.346 CV     1
 ASSI {  362}
   (( segid "PROT" and resid 7    and name HN  ))
   (( segid "PROT" and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.55520E-02 ppm1      8.485 ppm2      2.216 CV     1
 ASSI {  363}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.23984E-02 ppm1      8.416 ppm2      7.931 CV     1
 ASSI {  365}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 45   and name HB1 ))
      3.400     1.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.82610E-03 ppm1      8.409 ppm2      3.996 CV     1
 OR {  365}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 45   and name HB2 ))
 ASSI {  366}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 46   and name HG1 ))
      5.200     3.300     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.20434E-03 ppm1      8.410 ppm2      2.468 CV     1
 OR {  366}
   (( segid "PROT" and resid 46   and name HN  ))
   (( segid "PROT" and resid 46   and name HG2 ))
 ASSI {  368}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak   368 spectrum    1 weight  0.10000E+01 volume  0.28643E-02 ppm1      8.361 ppm2      4.052 CV     1
 ASSI {  370}
   (( segid "PROT" and resid 28   and name HN  ))
   (  segid "PROT" and resid 31   and name HD1%)
      3.700     1.700     1.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.10323E-02 ppm1      8.363 ppm2      0.827 CV     1
 OR {  370}
   (( segid "PROT" and resid 28   and name HN  ))
   (  segid "PROT" and resid 31   and name HG2%)
 ASSI {  371}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.83617E-03 ppm1      8.357 ppm2      8.797 CV     1
 ASSI {  372}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 27   and name HA  ))
      2.300     0.700     0.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.75108E-02 ppm1      8.358 ppm2      4.331 CV     1
 ASSI {  373}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 28   and name HA  ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.30916E-02 ppm1      8.358 ppm2      4.241 CV     1
 ASSI {  374}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29881E-02 ppm1      8.359 ppm2      3.874 CV     1
 ASSI {  376}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 73   and name HN  ))
      2.800     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.24703E-02 ppm1      8.286 ppm2      7.809 CV     1
 ASSI {  377}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 71   and name HN  ))
      2.300     0.700     0.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.59224E-02 ppm1      8.287 ppm2      7.456 CV     1
 ASSI {  378}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.16825E-02 ppm1      8.286 ppm2      4.401 CV     1
 ASSI {  380}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 71   and name HB  ))
      2.600     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.31644E-02 ppm1      8.286 ppm2      2.365 CV     1
 ASSI {  381}
   (( segid "PROT" and resid 72   and name HN  ))
   (  segid "PROT" and resid 71   and name HG1%)
      3.900     1.900     1.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.78143E-03 ppm1      8.287 ppm2      1.104 CV     1
 ASSI {  382}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 68   and name HN  ))
      2.800     2.800     3.200 peak   382 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      8.281 ppm2      8.048 CV     1
 ASSI {  384}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 75   and name HG11))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.97934E-03 ppm1      8.281 ppm2      2.089 CV     1
 OR {  384}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 75   and name HB  ))
 ASSI {  386}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 121  and name HB2 ))
      2.900     1.000     1.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.20706E-02 ppm1      8.141 ppm2      0.988 CV     1
 ASSI {  387}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 121  and name HG  ))
      4.500     2.600     1.500 peak   387 spectrum    1 weight  0.10000E+01 volume  0.49198E-03 ppm1      8.139 ppm2      0.918 CV     1
 ASSI {  389}
   (( segid "PROT" and resid 32   and name HN  ))
   (  segid "PROT" and resid 32   and name HB% )
      3.000     1.100     1.100 peak   389 spectrum    1 weight  0.10000E+01 volume  0.19099E-02 ppm1      8.029 ppm2      1.329 CV     1
 ASSI {  390}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 122  and name HA  ))
      3.300     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.13431E-02 ppm1      7.348 ppm2      4.956 CV     1
 ASSI {  391}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 123  and name HA  ))
      2.900     1.000     1.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.24694E-02 ppm1      7.350 ppm2      4.351 CV     1
 ASSI {  392}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 123  and name HB2 ))
      2.300     0.700     0.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.97113E-02 ppm1      7.348 ppm2      3.984 CV     1
 OR {  392}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 123  and name HB1 ))
 ASSI {  393}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 122  and name HB2 ))
      4.000     2.000     2.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.75332E-03 ppm1      7.348 ppm2      3.476 CV     1
 ASSI {  394}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 122  and name HB1 ))
      3.300     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10115E-02 ppm1      7.348 ppm2      2.935 CV     1
 ASSI {  395}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      4.800     2.900     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.50917E-04 ppm1      7.346 ppm2      1.573 CV     1
 OR {  395}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 OR {  395}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 120  and name HD1 ))
 ASSI {  396}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 121  and name HB2 ))
      5.600     4.000     0.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.14139E-03 ppm1      7.347 ppm2      0.986 CV     1
 ASSI {  398}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 88   and name HA  ))
      3.500     1.600     1.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.96432E-03 ppm1      8.675 ppm2      4.035 CV     1
 ASSI {  399}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 89   and name HA  ))
      3.000     1.100     1.100 peak   399 spectrum    1 weight  0.10000E+01 volume  0.14723E-02 ppm1      8.675 ppm2      3.403 CV     1
 ASSI {  400}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 88   and name HB2 ))
      3.200     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.38234E-02 ppm1      8.675 ppm2      1.861 CV     1
 ASSI {  402}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 92   and name HG11))
      2.800     2.800     3.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.47333E-02 ppm1      8.676 ppm2      1.660 CV     1
 ASSI {  405}
   (( segid "PROT" and resid 89   and name HN  ))
   (  segid "PROT" and resid 89   and name HG2%)
      2.200     2.200     3.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.75968E-02 ppm1      8.677 ppm2      0.440 CV     1
 ASSI {  407}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      3.800     1.800     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.54181E-03 ppm1      8.673 ppm2      4.330 CV     1
 ASSI {  408}
   (( segid "PROT" and resid 89   and name HN  ))
   (  segid "PROT" and resid 88   and name HD1%)
      3.600     3.600     2.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.19027E-02 ppm1      8.672 ppm2      0.917 CV     1
 ASSI {  411}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 79   and name HD2 ))
      4.200     2.200     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.55268E-03 ppm1      8.665 ppm2      6.912 CV     1
 ASSI {  415}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 77   and name HN  ))
      2.300     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.70045E-02 ppm1      8.657 ppm2      7.247 CV     1
 ASSI {  416}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 80   and name HN  ))
      3.800     1.800     1.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.81788E-03 ppm1      8.658 ppm2      6.541 CV     1
 ASSI {  417}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 77   and name HA  ))
      3.400     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      8.658 ppm2      3.935 CV     1
 ASSI {  418}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 75   and name HA  ))
      3.600     1.600     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10110E-02 ppm1      8.658 ppm2      3.585 CV     1
 ASSI {  419}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 74   and name HA  ))
      4.200     2.200     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.24253E-03 ppm1      8.656 ppm2      3.512 CV     1
 ASSI {  420}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17841E-02 ppm1      8.659 ppm2      3.294 CV     1
 ASSI {  422}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 77   and name HB  ))
      2.300     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.63146E-02 ppm1      8.660 ppm2      2.111 CV     1
 ASSI {  423}
   (( segid "PROT" and resid 78   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.59647E-02 ppm1      8.658 ppm2      1.284 CV     1
 ASSI {  425}
   (( segid "PROT" and resid 78   and name HN  ))
   (  segid "PROT" and resid 77   and name HG1%)
      3.600     1.600     1.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.14318E-02 ppm1      8.658 ppm2      1.062 CV     1
 ASSI {  426}
   (( segid "PROT" and resid 78   and name HN  ))
   (  segid "PROT" and resid 78   and name HG2%)
      2.200     0.600     0.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.93314E-02 ppm1      8.659 ppm2      0.324 CV     1
 ASSI {  427}
   (( segid "PROT" and resid 78   and name HN  ))
   (  segid "PROT" and resid 78   and name HG1%)
      3.600     1.600     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.20925E-02 ppm1      8.658 ppm2     -0.366 CV     1
 ASSI {  429}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HA  ))
      2.800     0.900     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.22499E-02 ppm1      8.556 ppm2      4.518 CV     1
 ASSI {  430}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.16253E-02 ppm1      8.556 ppm2      4.159 CV     1
 ASSI {  431}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HD1 ))
      3.600     1.600     1.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      8.556 ppm2      1.714 CV     1
 OR {  431}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HD2 ))
 ASSI {  432}
   (( segid "PROT" and resid 56   and name HN  ))
   (  segid "PROT" and resid 61   and name HD1%)
      4.000     2.000     2.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      8.556 ppm2      0.841 CV     1
 ASSI {  436}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.29700E-02 ppm1      8.553 ppm2      2.228 CV     1
 ASSI {  437}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.59549E-02 ppm1      8.555 ppm2      2.042 CV     1
 OR {  437}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HB1 ))
 ASSI {  438}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.57808E-02 ppm1      8.555 ppm2      1.994 CV     1
 ASSI {  439}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HG1 ))
      2.000     0.500     0.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.47405E-02 ppm1      8.554 ppm2      1.783 CV     1
 ASSI {  441}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.36664E-02 ppm1      8.554 ppm2      1.522 CV     1
 ASSI {  442}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      8.554 ppm2      1.417 CV     1
 OR {  442}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 61   and name HG  ))
 ASSI {  443}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 61   and name HB1 ))
      3.500     1.500     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.56169E-03 ppm1      8.553 ppm2      0.943 CV     1
 ASSI {  444}
   (( segid "PROT" and resid 7    and name HN  ))
   (  segid "PROT" and resid 8    and name HB% )
      3.400     3.400     2.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.28042E-02 ppm1      8.486 ppm2      1.566 CV     1
 ASSI {  445}
   (( segid "PROT" and resid 7    and name HN  ))
   (( segid "PROT" and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      8.478 ppm2      7.803 CV     1
 ASSI {  446}
   (( segid "PROT" and resid 7    and name HN  ))
   (  segid "PROT" and resid 10   and name HD% )
      3.600     1.600     1.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.12025E-02 ppm1      8.480 ppm2      7.287 CV     1
 ASSI {  457}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 17   and name HA  ))
      4.300     2.300     1.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.23440E-03 ppm1      8.422 ppm2      4.843 CV     1
 ASSI {  460}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 17   and name HB1 ))
      3.700     1.700     1.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11803E-02 ppm1      8.421 ppm2      2.626 CV     1
 ASSI {  465}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 18   and name HG12))
      3.200     1.300     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.22464E-02 ppm1      8.420 ppm2      0.820 CV     1
 ASSI {  466}
   (( segid "PROT" and resid 72   and name HN  ))
   (  segid "PROT" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.27990E-02 ppm1      8.286 ppm2      7.038 CV     1
 ASSI {  467}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 72   and name HB1 ))
      3.400     1.400     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.32470E-02 ppm1      8.286 ppm2      3.655 CV     1
 ASSI {  468}
   (( segid "PROT" and resid 72   and name HN  ))
   (( segid "PROT" and resid 72   and name HB2 ))
      2.600     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.24582E-02 ppm1      8.285 ppm2      3.148 CV     1
 ASSI {  471}
   (( segid "PROT" and resid 72   and name HN  ))
   (  segid "PROT" and resid 71   and name HG2%)
      4.100     2.100     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.88161E-03 ppm1      8.286 ppm2      1.219 CV     1
 ASSI {  472}
   (( segid "PROT" and resid 72   and name HN  ))
   (  segid "PROT" and resid 75   and name HD1%)
      4.600     2.600     1.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.31142E-03 ppm1      8.289 ppm2      1.004 CV     1
 OR {  472}
   (( segid "PROT" and resid 72   and name HN  ))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI {  482}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 120  and name HA  ))
      3.300     1.300     1.300 peak   482 spectrum    1 weight  0.10000E+01 volume  0.17017E-02 ppm1      8.145 ppm2      4.006 CV     1
 ASSI {  483}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 121  and name HA  ))
      2.900     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.23413E-02 ppm1      8.144 ppm2      3.730 CV     1
 ASSI {  484}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 118  and name HA  ))
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.14397E-02 ppm1      8.143 ppm2      3.657 CV     1
 ASSI {  485}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 120  and name HB1 ))
      3.700     1.700     1.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.13356E-02 ppm1      8.143 ppm2      1.704 CV     1
 ASSI {  486}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      2.800     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.13175E-02 ppm1      8.144 ppm2      1.565 CV     1
 ASSI {  487}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 121  and name HB1 ))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.35962E-02 ppm1      8.144 ppm2      1.148 CV     1
 ASSI {  488}
   (( segid "PROT" and resid 121  and name HN  ))
   (  segid "PROT" and resid 121  and name HD2%)
      4.500     2.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.72535E-03 ppm1      8.143 ppm2      0.653 CV     1
 ASSI {  489}
   (( segid "PROT" and resid 121  and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      2.900     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.27060E-02 ppm1      8.144 ppm2      0.490 CV     1
 OR {  489}
   (( segid "PROT" and resid 121  and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI {  490}
   (( segid "PROT" and resid 121  and name HN  ))
   (  segid "PROT" and resid 121  and name HD1%)
      4.300     2.300     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.83412E-03 ppm1      8.140 ppm2      0.583 CV     1
 ASSI {  491}
   (( segid "PROT" and resid 32   and name HN  ))
   (( segid "PROT" and resid 31   and name HB  ))
      2.600     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.47074E-02 ppm1      8.032 ppm2      1.916 CV     1
 ASSI {  495}
   (( segid "PROT" and resid 32   and name HN  ))
   (( segid "PROT" and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.27224E-03 ppm1      8.026 ppm2      2.021 CV     1
 OR {  495}
   (( segid "PROT" and resid 32   and name HN  ))
   (( segid "PROT" and resid 29   and name HB1 ))
 ASSI {  497}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 23   and name HA  ))
      4.100     2.100     1.900 peak   497 spectrum    1 weight  0.10000E+01 volume  0.40829E-03 ppm1      8.016 ppm2      4.473 CV     1
 ASSI {  498}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.70815E-02 ppm1      8.011 ppm2      3.926 CV     1
 ASSI {  499}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 22   and name HA  ))
      4.400     2.500     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.25961E-03 ppm1      8.019 ppm2      3.828 CV     1
 ASSI {  500}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.42600E-02 ppm1      8.012 ppm2      2.741 CV     1
 OR {  500}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 23   and name HB1 ))
 ASSI {  501}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.81268E-02 ppm1      8.013 ppm2      2.225 CV     1
 ASSI {  502}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 24   and name HB2 ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.40641E-02 ppm1      8.014 ppm2      2.104 CV     1
 ASSI {  504}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.58732E-02 ppm1      7.944 ppm2      8.490 CV     1
 ASSI {  505}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.69557E-02 ppm1      7.942 ppm2      7.699 CV     1
 ASSI {  507}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.74973E-02 ppm1      7.945 ppm2      2.345 CV     1
 ASSI {  508}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 7    and name HB  ))
      4.900     3.000     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.30763E-03 ppm1      7.944 ppm2      2.214 CV     1
 ASSI {  509}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 3    and name HB2 ))
      3.300     3.300     2.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.49059E-03 ppm1      7.944 ppm2      1.899 CV     1
 OR {  509}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 3    and name HB1 ))
 ASSI {  510}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 5    and name HG1 ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.33253E-02 ppm1      7.940 ppm2      1.267 CV     1
 OR {  510}
   (( segid "PROT" and resid 6    and name HN  ))
   (  segid "PROT" and resid 5    and name HG2%)
 ASSI {  511}
   (( segid "PROT" and resid 6    and name HN  ))
   (  segid "PROT" and resid 6    and name HG2%)
      2.500     2.500     3.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.54517E-02 ppm1      7.943 ppm2      1.185 CV     1
 ASSI {  515}
   (( segid "PROT" and resid 8    and name HN  ))
   (( segid "PROT" and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.14254E-02 ppm1      7.704 ppm2      3.788 CV     1
 ASSI {  516}
   (( segid "PROT" and resid 8    and name HN  ))
   (( segid "PROT" and resid 7    and name HB  ))
      2.600     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.28866E-02 ppm1      7.704 ppm2      2.218 CV     1
 ASSI {  518}
   (( segid "PROT" and resid 8    and name HN  ))
   (  segid "PROT" and resid 8    and name HB% )
      2.300     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.86601E-02 ppm1      7.704 ppm2      1.567 CV     1
 ASSI {  519}
   (( segid "PROT" and resid 8    and name HN  ))
   (  segid "PROT" and resid 7    and name HG2%)
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.21803E-02 ppm1      7.704 ppm2      1.168 CV     1
 ASSI {  520}
   (( segid "PROT" and resid 8    and name HN  ))
   (  segid "PROT" and resid 7    and name HG1%)
      3.500     1.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.14706E-02 ppm1      7.703 ppm2      1.023 CV     1
 ASSI {  525}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 28   and name HB1 ))
      4.700     2.800     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.23227E-03 ppm1      7.475 ppm2      3.847 CV     1
 ASSI {  526}
   (( segid "PROT" and resid 61   and name HN  ))
   (  segid "PROT" and resid 61   and name HD1%)
      4.200     2.200     1.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.74928E-03 ppm1      6.680 ppm2      0.842 CV     1
 ASSI {  529}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      6.674 ppm2      5.216 CV     1
 ASSI {  530}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.13909E-02 ppm1      6.675 ppm2      4.829 CV     1
 ASSI {  531}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      6.676 ppm2      4.515 CV     1
 ASSI {  532}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 59   and name HA  ))
      3.400     1.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      6.678 ppm2      3.765 CV     1
 ASSI {  533}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 60   and name HG2 ))
      3.600     1.600     1.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      6.674 ppm2      2.381 CV     1
 OR {  533}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  537}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 60   and name HB2 ))
      3.800     1.900     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.12873E-02 ppm1      6.678 ppm2      1.637 CV     1
 ASSI {  539}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.47177E-02 ppm1      6.677 ppm2      1.404 CV     1
 OR {  539}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 61   and name HG  ))
 ASSI {  541}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 62   and name HG2 ))
      4.600     2.700     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.13864E-03 ppm1      6.673 ppm2      1.185 CV     1
 ASSI {  542}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 61   and name HB1 ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.32749E-02 ppm1      6.676 ppm2      0.954 CV     1
 ASSI {  543}
   (( segid "PROT" and resid 61   and name HN  ))
   (  segid "PROT" and resid 61   and name HD2%)
      4.400     2.400     1.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.71752E-03 ppm1      6.677 ppm2      0.689 CV     1
 ASSI {  546}
   (( segid "PROT" and resid 89   and name HN  ))
   (( segid "PROT" and resid 86   and name HA  ))
      3.800     1.800     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.40841E-03 ppm1      8.676 ppm2      3.163 CV     1
 ASSI {  547}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.47379E-02 ppm1      8.381 ppm2      8.072 CV     1
 ASSI {  548}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.29208E-02 ppm1      8.386 ppm2      4.118 CV     1
 ASSI {  550}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.57573E-02 ppm1      8.380 ppm2      1.825 CV     1
 OR {  550}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 51   and name HB2 ))
 ASSI {  551}
   (( segid "PROT" and resid 52   and name HN  ))
   (  segid "PROT" and resid 52   and name HB% )
      2.500     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.54087E-02 ppm1      8.381 ppm2      1.410 CV     1
 ASSI {  552}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 37   and name HN  ))
      3.400     1.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.10412E-02 ppm1      8.061 ppm2      7.826 CV     1
 ASSI {  553}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 36   and name HG2 ))
      3.600     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      8.056 ppm2      2.376 CV     1
 OR {  553}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 36   and name HG1 ))
 ASSI {  554}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 36   and name HB1 ))
      4.100     2.100     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.78137E-03 ppm1      8.055 ppm2      2.140 CV     1
 ASSI {  555}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 24   and name HG1 ))
      3.900     1.900     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.15634E-02 ppm1      8.013 ppm2      2.372 CV     1
 OR {  555}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 24   and name HG2 ))
 ASSI {  556}
   (( segid "PROT" and resid 24   and name HN  ))
   (( segid "PROT" and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.29690E-02 ppm1      8.008 ppm2      7.644 CV     1
 ASSI {  559}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 116  and name HA  ))
      3.900     1.900     1.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.41338E-03 ppm1      7.858 ppm2      4.144 CV     1
 ASSI {  560}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 119  and name HA  ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18248E-02 ppm1      7.858 ppm2      4.006 CV     1
 ASSI {  561}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 115  and name HA  ))
      4.700     2.800     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.16199E-03 ppm1      7.855 ppm2      4.308 CV     1
 ASSI {  562}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 119  and name HG1 ))
      4.400     2.400     1.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.41562E-03 ppm1      7.854 ppm2      2.339 CV     1
 OR {  562}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 119  and name HG2 ))
 ASSI {  563}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 119  and name HB2 ))
      2.600     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.30998E-02 ppm1      7.855 ppm2      2.085 CV     1
 ASSI {  564}
   (( segid "PROT" and resid 119  and name HN  ))
   (  segid "PROT" and resid 118  and name HG2%)
      3.600     1.600     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.13053E-02 ppm1      7.854 ppm2      1.004 CV     1
 ASSI {  565}
   (( segid "PROT" and resid 119  and name HN  ))
   (  segid "PROT" and resid 118  and name HD1%)
      3.700     3.700     2.300 peak   565 spectrum    1 weight  0.10000E+01 volume  0.25060E-03 ppm1      7.851 ppm2      0.863 CV     1
 ASSI {  566}
   (( segid "PROT" and resid 8    and name HN  ))
   (( segid "PROT" and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.28362E-02 ppm1      7.704 ppm2      4.152 CV     1
 ASSI {  567}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 112  and name HN  ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.39405E-02 ppm1      7.523 ppm2      8.798 CV     1
 ASSI {  568}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 110  and name HN  ))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      7.522 ppm2      8.112 CV     1
 ASSI {  569}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 111  and name HD21))
      5.000     3.200     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.21777E-03 ppm1      7.526 ppm2      7.819 CV     1
 ASSI {  570}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 110  and name HA2 ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.54668E-02 ppm1      7.524 ppm2      3.845 CV     1
 OR {  570}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 110  and name HA1 ))
 ASSI {  571}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 111  and name HB2 ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11949E-01 ppm1      7.524 ppm2      2.852 CV     1
 OR {  571}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 111  and name HB1 ))
 ASSI {  572}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 102  and name HN  ))
      2.400     0.700     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.67227E-02 ppm1      7.507 ppm2      8.709 CV     1
 ASSI {  575}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 102  and name HA1 ))
      3.000     1.100     1.100 peak   575 spectrum    1 weight  0.10000E+01 volume  0.40567E-02 ppm1      7.507 ppm2      4.156 CV     1
 ASSI {  576}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 102  and name HA2 ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.24332E-02 ppm1      7.508 ppm2      3.771 CV     1
 ASSI {  577}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 103  and name HG2 ))
      2.600     0.900     0.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.47525E-02 ppm1      7.508 ppm2      2.168 CV     1
 OR {  577}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI {  578}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 103  and name HB2 ))
      2.400     0.700     0.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.41793E-02 ppm1      7.506 ppm2      1.969 CV     1
 ASSI {  582}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 109  and name HG12))
      3.300     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.88026E-03 ppm1      7.511 ppm2      0.926 CV     1
 ASSI {  584}
   (( segid "PROT" and resid 103  and name HN  ))
   (  segid "PROT" and resid 109  and name HD1%)
      3.500     1.600     1.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.14748E-02 ppm1      7.510 ppm2      0.746 CV     1
 ASSI {  585}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 111  and name HD22))
      6.000     6.000     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.68427E-04 ppm1      7.503 ppm2      7.133 CV     1
 ASSI {  587}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 48   and name HA2 ))
      4.300     2.300     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.54548E-03 ppm1      7.505 ppm2      3.682 CV     1
 ASSI {  588}
   (( segid "PROT" and resid 103  and name HN  ))
   (( segid "PROT" and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.50773E-02 ppm1      7.506 ppm2      2.086 CV     1
 ASSI {  589}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      7.480 ppm2      8.317 CV     1
 ASSI {  590}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.22704E-02 ppm1      7.482 ppm2      8.030 CV     1
 ASSI {  592}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 31   and name HG11))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      7.479 ppm2      1.502 CV     1
 ASSI {  593}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 31   and name HG12))
      3.200     1.300     1.300 peak   593 spectrum    1 weight  0.10000E+01 volume  0.11484E-02 ppm1      7.478 ppm2      1.218 CV     1
 ASSI {  594}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.44438E-03 ppm1      7.477 ppm2      2.585 CV     1
 ASSI {  595}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 59   and name HN  ))
      4.600     2.600     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.57632E-03 ppm1      6.680 ppm2      7.502 CV     1
 ASSI {  599}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.24032E-02 ppm1      6.535 ppm2      4.552 CV     1
 ASSI {  600}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 81   and name HA2 ))
      6.000     5.400     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.58786E-04 ppm1      6.535 ppm2      4.335 CV     1
 ASSI {  601}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.61378E-02 ppm1      6.535 ppm2      3.983 CV     1
 ASSI {  602}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 79   and name HB2 ))
      4.500     2.500     1.500 peak   602 spectrum    1 weight  0.10000E+01 volume  0.29667E-03 ppm1      6.536 ppm2      3.368 CV     1
 ASSI {  603}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.80563E-03 ppm1      6.537 ppm2      3.290 CV     1
 ASSI {  604}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.86402E-03 ppm1      6.535 ppm2      3.000 CV     1
 ASSI {  605}
   (( segid "PROT" and resid 80   and name HN  ))
   (  segid "PROT" and resid 80   and name HB% )
      2.600     0.800     0.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.53457E-02 ppm1      6.533 ppm2      1.523 CV     1
 ASSI {  606}
   (( segid "PROT" and resid 80   and name HN  ))
   (  segid "PROT" and resid 78   and name HG1%)
      4.200     2.200     1.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.11002E-03 ppm1      6.537 ppm2     -0.377 CV     1
 ASSI {  608}
   (( segid "PROT" and resid 80   and name HN  ))
   (  segid "PROT" and resid 86   and name HD1%)
      4.200     2.200     1.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.41344E-03 ppm1      6.532 ppm2      0.844 CV     1
 ASSI {  609}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 111  and name HA  ))
      3.600     1.700     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.53150E-03 ppm1      8.795 ppm2      4.473 CV     1
 ASSI {  610}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HB1 ))
      3.200     1.200     1.200 peak   610 spectrum    1 weight  0.10000E+01 volume  0.37349E-02 ppm1      8.795 ppm2      1.871 CV     1
 ASSI {  611}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.23275E-02 ppm1      8.796 ppm2      1.736 CV     1
 OR {  611}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HD1 ))
 ASSI {  612}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HG1 ))
      3.600     1.600     1.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.11917E-02 ppm1      8.793 ppm2      1.630 CV     1
 ASSI {  613}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.100     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.14172E-02 ppm1      8.792 ppm2      4.066 CV     1
 ASSI {  614}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 109  and name HA  ))
      3.400     1.500     1.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.75576E-03 ppm1      8.793 ppm2      3.426 CV     1
 ASSI {  615}
   (( segid "PROT" and resid 112  and name HN  ))
   (( segid "PROT" and resid 112  and name HG2 ))
      3.000     1.100     1.100 peak   615 spectrum    1 weight  0.10000E+01 volume  0.12919E-02 ppm1      8.792 ppm2      1.502 CV     1
 ASSI {  617}
   (( segid "PROT" and resid 36   and name HN  ))
   (  segid "PROT" and resid 35   and name HG2%)
      3.400     3.400     2.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.20719E-02 ppm1      8.059 ppm2      0.913 CV     1
 ASSI {  618}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak   618 spectrum    1 weight  0.10000E+01 volume  0.11780E-02 ppm1      8.055 ppm2      2.047 CV     1
 ASSI {  619}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 79   and name HB1 ))
      5.000     3.200     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15647E-03 ppm1      8.001 ppm2      3.003 CV     1
 ASSI {  620}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 118  and name HA  ))
      3.600     1.600     1.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.69108E-03 ppm1      7.855 ppm2      3.658 CV     1
 ASSI {  622}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 118  and name HB  ))
      2.800     1.000     1.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.25747E-02 ppm1      7.854 ppm2      1.983 CV     1
 ASSI {  623}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 118  and name HG11))
      4.100     2.100     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.90856E-03 ppm1      7.855 ppm2      1.758 CV     1
 ASSI {  626}
   (( segid "PROT" and resid 100  and name HN  ))
   (( segid "PROT" and resid 100  and name HA  ))
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.51211E-02 ppm1      7.527 ppm2      4.383 CV     1
 ASSI {  627}
   (( segid "PROT" and resid 100  and name HN  ))
   (( segid "PROT" and resid 99   and name HA  ))
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.23772E-02 ppm1      7.526 ppm2      4.529 CV     1
 ASSI {  629}
   (( segid "PROT" and resid 100  and name HN  ))
   (  segid "PROT" and resid 100  and name HB% )
      2.500     0.800     0.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.50267E-02 ppm1      7.525 ppm2      1.528 CV     1
 ASSI {  634}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 44   and name HB1 ))
      3.900     1.900     1.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.36887E-03 ppm1      8.583 ppm2      2.052 CV     1
 ASSI {  637}
   (( segid "PROT" and resid 27   and name HN  ))
   (( segid "PROT" and resid 27   and name HG12))
      3.500     1.500     1.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.77598E-03 ppm1      8.473 ppm2      1.120 CV     1
 ASSI {  641}
   (( segid "PROT" and resid 27   and name HN  ))
   (( segid "PROT" and resid 27   and name HG11))
      2.800     1.000     1.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.27320E-02 ppm1      8.470 ppm2      1.463 CV     1
 ASSI {  642}
   (( segid "PROT" and resid 27   and name HN  ))
   (  segid "PROT" and resid 27   and name HD1%)
      4.600     2.600     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.44795E-03 ppm1      8.466 ppm2      0.815 CV     1
 ASSI {  643}
   (( segid "PROT" and resid 49   and name HN  ))
   (( segid "PROT" and resid 49   and name HB1 ))
      5.500     3.800     0.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.12879E-03 ppm1      8.337 ppm2      3.189 CV     1
 ASSI {  644}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 42   and name HN  ))
      3.100     1.200     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15527E-02 ppm1      8.328 ppm2      7.907 CV     1
 ASSI {  645}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.42740E-02 ppm1      8.328 ppm2      4.596 CV     1
 ASSI {  646}
   (( segid "PROT" and resid 49   and name HN  ))
   (( segid "PROT" and resid 107  and name HA  ))
      3.700     1.700     1.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.58701E-03 ppm1      8.323 ppm2      4.207 CV     1
 ASSI {  647}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 43   and name HB2 ))
      2.900     1.100     1.100 peak   647 spectrum    1 weight  0.10000E+01 volume  0.32630E-02 ppm1      8.325 ppm2      2.708 CV     1
 ASSI {  648}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 42   and name HA  ))
      2.500     2.500     3.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.75711E-02 ppm1      8.324 ppm2      4.288 CV     1
 ASSI {  650}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.35627E-02 ppm1      8.324 ppm2      2.793 CV     1
 ASSI {  651}
   (( segid "PROT" and resid 43   and name HN  ))
   (  segid "PROT" and resid 42   and name HB% )
      3.100     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.17030E-02 ppm1      8.323 ppm2      1.338 CV     1
 ASSI {  653}
   (( segid "PROT" and resid 51   and name HN  ))
   (( segid "PROT" and resid 51   and name HA  ))
      2.600     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.40339E-02 ppm1      8.250 ppm2      3.847 CV     1
 ASSI {  654}
   (( segid "PROT" and resid 51   and name HN  ))
   (( segid "PROT" and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.74229E-02 ppm1      8.250 ppm2      1.826 CV     1
 OR {  654}
   (( segid "PROT" and resid 51   and name HN  ))
   (( segid "PROT" and resid 51   and name HB1 ))
 ASSI {  656}
   (( segid "PROT" and resid 51   and name HN  ))
   (  segid "PROT" and resid 50   and name HD1%)
      3.400     3.400     2.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.15768E-02 ppm1      8.250 ppm2      0.913 CV     1
 ASSI {  658}
   (( segid "PROT" and resid 51   and name HN  ))
   (  segid "PROT" and resid 50   and name HD2%)
      5.400     3.700     0.600 peak   658 spectrum    1 weight  0.10000E+01 volume  0.10254E-03 ppm1      8.251 ppm2      0.769 CV     1
 ASSI {  659}
   (( segid "PROT" and resid 51   and name HN  ))
   (( segid "PROT" and resid 50   and name HB1 ))
      2.400     0.700     0.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.48017E-02 ppm1      8.246 ppm2      2.249 CV     1
 ASSI {  662}
   (( segid "PROT" and resid 53   and name HN  ))
   (( segid "PROT" and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.41214E-03 ppm1      8.074 ppm2      3.985 CV     1
 ASSI {  663}
   (( segid "PROT" and resid 53   and name HN  ))
   (  segid "PROT" and resid 52   and name HB% )
      3.200     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      8.074 ppm2      1.410 CV     1
 ASSI {  664}
   (( segid "PROT" and resid 53   and name HN  ))
   (  segid "PROT" and resid 54   and name HG1%)
      5.200     3.400     0.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.27153E-03 ppm1      8.074 ppm2      0.988 CV     1
 ASSI {  666}
   (( segid "PROT" and resid 53   and name HN  ))
   (( segid "PROT" and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.36902E-02 ppm1      8.069 ppm2      4.162 CV     1
 ASSI {  667}
   (( segid "PROT" and resid 53   and name HN  ))
   (( segid "PROT" and resid 52   and name HA  ))
      5.600     3.900     0.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.49437E-04 ppm1      8.067 ppm2      4.082 CV     1
 ASSI {  668}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 87   and name HN  ))
      2.600     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.34044E-02 ppm1      8.001 ppm2      7.578 CV     1
 ASSI {  669}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      3.600     1.600     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.71880E-03 ppm1      8.000 ppm2      4.331 CV     1
 ASSI {  670}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 83   and name HA  ))
      3.000     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.21455E-02 ppm1      8.000 ppm2      4.004 CV     1
 ASSI {  671}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 79   and name HB2 ))
      4.100     2.100     1.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.73613E-03 ppm1      7.999 ppm2      3.383 CV     1
 ASSI {  672}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 86   and name HA  ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.28199E-02 ppm1      8.001 ppm2      3.160 CV     1
 ASSI {  673}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 85   and name HB2 ))
      3.000     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.22165E-02 ppm1      8.000 ppm2      2.872 CV     1
 ASSI {  674}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 85   and name HB1 ))
      3.700     1.700     1.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.46545E-03 ppm1      8.000 ppm2      2.328 CV     1
 ASSI {  675}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 86   and name HG11))
      2.200     0.600     0.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.52466E-02 ppm1      8.000 ppm2      1.908 CV     1
 ASSI {  677}
   (( segid "PROT" and resid 86   and name HN  ))
   (  segid "PROT" and resid 86   and name HD1%)
      3.600     1.600     1.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.27267E-02 ppm1      7.998 ppm2      0.855 CV     1
 ASSI {  678}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 86   and name HG12))
      3.600     1.600     1.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.24382E-02 ppm1      8.001 ppm2      0.669 CV     1
 ASSI {  679}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 108  and name HB1 ))
      3.400     1.400     1.400 peak   679 spectrum    1 weight  0.10000E+01 volume  0.16611E-02 ppm1      7.821 ppm2      3.031 CV     1
 ASSI {  681}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 108  and name HA  ))
      3.300     1.300     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      7.818 ppm2      4.667 CV     1
 ASSI {  682}
   (( segid "PROT" and resid 13   and name HN  ))
   (  segid "PROT" and resid 13   and name HD% )
      4.000     2.000     2.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      7.786 ppm2      7.015 CV     1
 ASSI {  684}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.35213E-02 ppm1      7.783 ppm2      8.303 CV     1
 ASSI {  685}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 12   and name HN  ))
      2.600     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.30793E-02 ppm1      7.785 ppm2      8.157 CV     1
 ASSI {  687}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 13   and name HB1 ))
      2.600     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.44805E-02 ppm1      7.784 ppm2      3.251 CV     1
 ASSI {  688}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.55359E-02 ppm1      7.784 ppm2      3.007 CV     1
 ASSI {  689}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 12   and name HB2 ))
      3.400     1.500     1.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.22833E-02 ppm1      7.782 ppm2      2.238 CV     1
 OR {  689}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 12   and name HG2 ))
 ASSI {  690}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.41270E-02 ppm1      7.784 ppm2      2.177 CV     1
 OR {  690}
   (( segid "PROT" and resid 13   and name HN  ))
   (( segid "PROT" and resid 12   and name HG2 ))
 ASSI {  692}
   (( segid "PROT" and resid 13   and name HN  ))
   (  segid "PROT" and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.59097E-03 ppm1      7.783 ppm2      0.323 CV     1
 ASSI {  693}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 99   and name HA  ))
      4.300     2.300     1.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.28645E-03 ppm1      7.323 ppm2      4.541 CV     1
 ASSI {  694}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 112  and name HG1 ))
      4.300     2.300     1.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.80409E-03 ppm1      8.851 ppm2      1.633 CV     1
 ASSI {  696}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13666E-02 ppm1      8.586 ppm2      4.262 CV     1
 ASSI {  697}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.41280E-02 ppm1      8.584 ppm2      3.989 CV     1
 OR {  697}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 45   and name HB1 ))
 ASSI {  699}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.68601E-03 ppm1      8.314 ppm2      4.392 CV     1
 ASSI {  702}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      4.200     2.200     1.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.81962E-03 ppm1      8.260 ppm2      4.324 CV     1
 ASSI {  703}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 83   and name HA  ))
      3.300     1.300     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14297E-02 ppm1      8.260 ppm2      4.004 CV     1
 ASSI {  704}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 84   and name HB2 ))
      2.800     1.000     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.30891E-02 ppm1      8.261 ppm2      2.785 CV     1
 OR {  704}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 84   and name HB1 ))
 ASSI {  707}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.16531E-02 ppm1      8.159 ppm2      8.575 CV     1
 ASSI {  710}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.20499E-02 ppm1      8.158 ppm2      4.025 CV     1
 ASSI {  712}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      8.159 ppm2      2.012 CV     1
 ASSI {  713}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 12   and name HG1 ))
      4.600     2.600     1.400 peak   713 spectrum    1 weight  0.10000E+01 volume  0.60384E-03 ppm1      8.155 ppm2      2.418 CV     1
 ASSI {  716}
   (( segid "PROT" and resid 53   and name HN  ))
   (( segid "PROT" and resid 53   and name HB2 ))
      2.600     0.900     0.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.49846E-02 ppm1      8.071 ppm2      3.262 CV     1
 ASSI {  719}
   (( segid "PROT" and resid 39   and name HN  ))
   (  segid "PROT" and resid 38   and name HB% )
      2.500     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.61725E-02 ppm1      7.999 ppm2      1.433 CV     1
 ASSI {  720}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 109  and name HN  ))
      3.500     1.500     1.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.62774E-03 ppm1      7.821 ppm2      8.198 CV     1
 ASSI {  722}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      3.800     1.800     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.32310E-03 ppm1      7.817 ppm2      2.619 CV     1
 ASSI {  723}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 105  and name HB2 ))
      4.400     2.400     1.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1      7.812 ppm2      2.930 CV     1
 ASSI {  724}
   (( segid "PROT" and resid 9    and name HN  ))
   (  segid "PROT" and resid 6    and name HG2%)
      3.700     3.700     2.300 peak   724 spectrum    1 weight  0.10000E+01 volume  0.86043E-03 ppm1      7.801 ppm2      1.174 CV     1
 ASSI {  726}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.37001E-02 ppm1      7.796 ppm2      4.216 CV     1
 ASSI {  729}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HB1 ))
      3.000     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.60291E-02 ppm1      7.795 ppm2      1.986 CV     1
 ASSI {  730}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HB2 ))
      2.500     2.500     3.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.27413E-02 ppm1      7.795 ppm2      1.772 CV     1
 ASSI {  731}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HG1 ))
      3.100     1.200     1.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.44972E-02 ppm1      7.795 ppm2      1.713 CV     1
 OR {  731}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HD1 ))
 OR {  731}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 9    and name HD2 ))
 ASSI {  733}
   (( segid "PROT" and resid 9    and name HN  ))
   (  segid "PROT" and resid 78   and name HG1%)
      4.800     2.900     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.36072E-03 ppm1      7.790 ppm2     -0.369 CV     1
 ASSI {  735}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 102  and name HN  ))
      3.700     1.700     1.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.89431E-03 ppm1      7.325 ppm2      8.708 CV     1
 ASSI {  736}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 100  and name HN  ))
      2.400     0.700     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.63198E-02 ppm1      7.325 ppm2      7.531 CV     1
 ASSI {  737}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 100  and name HA  ))
      3.100     1.200     1.200 peak   737 spectrum    1 weight  0.10000E+01 volume  0.18405E-02 ppm1      7.325 ppm2      4.381 CV     1
 ASSI {  738}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak   738 spectrum    1 weight  0.10000E+01 volume  0.37207E-02 ppm1      7.324 ppm2      4.153 CV     1
 ASSI {  739}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 98   and name HA  ))
      3.300     1.400     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      7.326 ppm2      4.045 CV     1
 ASSI {  742}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 101  and name HB2 ))
      2.500     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.73202E-02 ppm1      7.324 ppm2      1.949 CV     1
 ASSI {  743}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 101  and name HB2 ))
      2.600     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.60994E-02 ppm1      7.325 ppm2      1.900 CV     1
 OR {  743}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 101  and name HB1 ))
 ASSI {  744}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 101  and name HG1 ))
      3.200     1.300     1.300 peak   744 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      7.325 ppm2      1.615 CV     1
 ASSI {  746}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 66   and name HG  ))
      5.000     3.100     1.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13960E-03 ppm1      7.327 ppm2      1.450 CV     1
 ASSI {  748}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 97   and name HA  ))
      5.600     3.900     0.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.50673E-04 ppm1      7.323 ppm2      3.873 CV     1
 ASSI {  750}
   (( segid "PROT" and resid 101  and name HN  ))
   (  segid "PROT" and resid 66   and name HD1%)
      3.500     1.600     1.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.86056E-03 ppm1      7.323 ppm2      0.749 CV     1
 ASSI {  751}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      7.138 ppm2      8.830 CV     1
 ASSI {  752}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 72   and name HN  ))
      4.700     2.800     1.300 peak   752 spectrum    1 weight  0.10000E+01 volume  0.27123E-03 ppm1      7.137 ppm2      8.302 CV     1
 ASSI {  754}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 73   and name HN  ))
      2.400     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.46267E-02 ppm1      7.138 ppm2      7.809 CV     1
 ASSI {  756}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   756 spectrum    1 weight  0.10000E+01 volume  0.15978E-02 ppm1      7.139 ppm2      4.028 CV     1
 ASSI {  757}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   757 spectrum    1 weight  0.10000E+01 volume  0.18913E-02 ppm1      7.138 ppm2      3.812 CV     1
 ASSI {  758}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 74   and name HA  ))
      2.600     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.37971E-02 ppm1      7.139 ppm2      3.517 CV     1
 ASSI {  759}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 74   and name HG1 ))
      2.600     0.800     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.56108E-02 ppm1      7.139 ppm2      2.471 CV     1
 ASSI {  760}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 75   and name HG11))
      4.100     2.100     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.83720E-03 ppm1      7.140 ppm2      2.095 CV     1
 OR {  760}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 75   and name HB  ))
 ASSI {  763}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak   763 spectrum    1 weight  0.10000E+01 volume  0.73728E-02 ppm1      7.139 ppm2      1.806 CV     1
 ASSI {  764}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 73   and name HG1 ))
      5.200     3.400     0.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13527E-03 ppm1      7.139 ppm2      1.654 CV     1
 ASSI {  765}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.93320E-03 ppm1      7.140 ppm2      1.281 CV     1
 ASSI {  768}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 73   and name HG2 ))
      4.100     2.100     1.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.63672E-03 ppm1      7.134 ppm2      1.546 CV     1
 ASSI {  769}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 115  and name HN  ))
      3.000     1.100     1.100 peak   769 spectrum    1 weight  0.10000E+01 volume  0.21972E-02 ppm1      6.997 ppm2      8.541 CV     1
 ASSI {  770}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 115  and name HA  ))
      4.200     2.200     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.41994E-03 ppm1      6.997 ppm2      4.310 CV     1
 ASSI {  771}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 116  and name HA  ))
      2.700     0.900     0.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.36804E-02 ppm1      6.996 ppm2      4.134 CV     1
 ASSI {  772}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.600     2.700     1.400 peak   772 spectrum    1 weight  0.10000E+01 volume  0.13714E-03 ppm1      6.996 ppm2      3.933 CV     1
 ASSI {  773}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 116  and name HB2 ))
      3.000     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39597E-02 ppm1      6.996 ppm2      3.228 CV     1
 ASSI {  774}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 116  and name HB1 ))
      2.500     0.800     0.800 peak   774 spectrum    1 weight  0.10000E+01 volume  0.48443E-02 ppm1      6.996 ppm2      3.030 CV     1
 ASSI {  775}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 115  and name HB1 ))
      2.700     0.900     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.30574E-02 ppm1      6.996 ppm2      2.704 CV     1
 ASSI {  776}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 115  and name HB2 ))
      3.300     1.400     1.400 peak   776 spectrum    1 weight  0.10000E+01 volume  0.16472E-02 ppm1      6.995 ppm2      2.567 CV     1
 ASSI {  777}
   (( segid "PROT" and resid 116  and name HN  ))
   (( segid "PROT" and resid 117  and name HN  ))
      2.700     0.900     0.900 peak   777 spectrum    1 weight  0.10000E+01 volume  0.26639E-02 ppm1      6.992 ppm2      7.952 CV     1
 ASSI {  779}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.400     1.400     1.400 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      8.851 ppm2      4.066 CV     1
 ASSI {  780}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 113  and name HA  ))
      3.000     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.19854E-02 ppm1      8.849 ppm2      3.924 CV     1
 ASSI {  781}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 109  and name HA  ))
      3.700     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.56894E-03 ppm1      8.850 ppm2      3.431 CV     1
 ASSI {  782}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 113  and name HB2 ))
      2.300     0.700     0.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.51673E-02 ppm1      8.851 ppm2      2.858 CV     1
 ASSI {  783}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 113  and name HB1 ))
      2.600     0.800     0.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.63648E-02 ppm1      8.850 ppm2      2.787 CV     1
 ASSI {  784}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 112  and name HB2 ))
      2.600     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.25532E-02 ppm1      8.849 ppm2      1.742 CV     1
 ASSI {  786}
   (( segid "PROT" and resid 113  and name HN  ))
   (  segid "PROT" and resid 109  and name HG2%)
      3.500     1.600     1.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.94199E-03 ppm1      8.851 ppm2      0.825 CV     1
 ASSI {  788}
   (( segid "PROT" and resid 113  and name HN  ))
   (  segid "PROT" and resid 113  and name HD% )
      4.000     2.000     2.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.12890E-02 ppm1      8.847 ppm2      6.703 CV     1
 ASSI {  789}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 110  and name HA1 ))
      4.800     2.900     1.200 peak   789 spectrum    1 weight  0.10000E+01 volume  0.12035E-03 ppm1      8.852 ppm2      3.833 CV     1
 OR {  789}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 110  and name HA2 ))
 ASSI {  790}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 112  and name HB1 ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.36476E-02 ppm1      8.849 ppm2      1.866 CV     1
 ASSI {  793}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HN  ))
      2.900     1.100     1.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.22683E-02 ppm1      8.362 ppm2      9.188 CV     1
 ASSI {  794}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 108  and name HN  ))
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.65553E-02 ppm1      8.362 ppm2      7.825 CV     1
 ASSI {  796}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 107  and name HA  ))
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.34429E-02 ppm1      8.363 ppm2      4.219 CV     1
 ASSI {  797}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HA  ))
      2.900     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.37048E-02 ppm1      8.363 ppm2      3.873 CV     1
 ASSI {  798}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 107  and name HB2 ))
      2.300     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.56257E-02 ppm1      8.362 ppm2      3.778 CV     1
 ASSI {  799}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 105  and name HB2 ))
      4.600     2.700     1.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.41892E-03 ppm1      8.362 ppm2      2.928 CV     1
 ASSI {  800}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 107  and name HB1 ))
      3.400     1.400     1.400 peak   800 spectrum    1 weight  0.10000E+01 volume  0.40258E-02 ppm1      8.363 ppm2      2.788 CV     1
 ASSI {  801}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      3.400     1.400     1.400 peak   801 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      8.365 ppm2      2.583 CV     1
 ASSI {  802}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HB2 ))
      3.500     1.500     1.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.21574E-02 ppm1      8.363 ppm2      2.210 CV     1
 OR {  802}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HG2 ))
 ASSI {  803}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HB1 ))
      2.700     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.22335E-02 ppm1      8.361 ppm2      2.023 CV     1
 ASSI {  804}
   (( segid "PROT" and resid 107  and name HN  ))
   (  segid "PROT" and resid 52   and name HB% )
      3.800     3.800     2.200 peak   804 spectrum    1 weight  0.10000E+01 volume  0.90612E-03 ppm1      8.362 ppm2      1.409 CV     1
 ASSI {  806}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 106  and name HG1 ))
      3.900     1.900     1.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.90407E-03 ppm1      8.359 ppm2      2.326 CV     1
 ASSI {  807}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 31   and name HB  ))
      5.500     3.800     0.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.19195E-03 ppm1      8.321 ppm2      1.943 CV     1
 ASSI {  809}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.58448E-03 ppm1      8.315 ppm2      2.590 CV     1
 ASSI {  810}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 29   and name HB1 ))
      3.400     1.500     1.500 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11097E-02 ppm1      8.315 ppm2      2.029 CV     1
 OR {  810}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 29   and name HB2 ))
 ASSI {  812}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 83   and name HN  ))
      2.800     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.25926E-02 ppm1      8.261 ppm2      8.748 CV     1
 ASSI {  813}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 82   and name HA  ))
      4.500     2.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.45284E-03 ppm1      8.262 ppm2      4.988 CV     1
 ASSI {  814}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.35505E-02 ppm1      8.260 ppm2      2.705 CV     1
 ASSI {  817}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 69   and name HN  ))
      2.100     0.500     0.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.37826E-02 ppm1      8.075 ppm2      8.924 CV     1
 ASSI {  818}
   (( segid "PROT" and resid 68   and name HN  ))
   (  segid "PROT" and resid 67   and name HD% )
      3.900     1.900     1.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.62511E-03 ppm1      8.078 ppm2      7.120 CV     1
 ASSI {  819}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 67   and name HA  ))
      2.200     0.600     0.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.85375E-02 ppm1      8.075 ppm2      4.553 CV     1
 ASSI {  820}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak   820 spectrum    1 weight  0.10000E+01 volume  0.30136E-02 ppm1      8.075 ppm2      3.901 CV     1
 ASSI {  821}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.27396E-02 ppm1      8.077 ppm2      3.142 CV     1
 ASSI {  822}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11647E-02 ppm1      8.075 ppm2      2.805 CV     1
 ASSI {  823}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 69   and name HB2 ))
      4.800     2.900     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.48878E-03 ppm1      8.077 ppm2      2.201 CV     1
 ASSI {  826}
   (( segid "PROT" and resid 68   and name HN  ))
   (  segid "PROT" and resid 68   and name HG2%)
      2.600     2.600     3.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.38108E-02 ppm1      8.075 ppm2      0.714 CV     1
 ASSI {  827}
   (( segid "PROT" and resid 68   and name HN  ))
   (  segid "PROT" and resid 68   and name HG1%)
      2.600     0.900     0.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.34350E-02 ppm1      8.077 ppm2      0.575 CV     1
 ASSI {  831}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.44159E-02 ppm1      9.044 ppm2      4.511 CV     1
 ASSI {  832}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 63   and name HA1 ))
      3.300     1.400     1.400 peak   832 spectrum    1 weight  0.10000E+01 volume  0.19911E-02 ppm1      9.045 ppm2      4.186 CV     1
 ASSI {  833}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 63   and name HA2 ))
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.27848E-02 ppm1      9.044 ppm2      3.664 CV     1
 ASSI {  834}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 62   and name HB2 ))
      3.800     1.800     1.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      9.044 ppm2      1.810 CV     1
 OR {  834}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 62   and name HB1 ))
 ASSI {  835}
   (( segid "PROT" and resid 63   and name HN  ))
   (( segid "PROT" and resid 62   and name HG1 ))
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.14707E-03 ppm1      9.042 ppm2      1.279 CV     1
 ASSI {  840}
   (( segid "PROT" and resid 23   and name HN  ))
   (( segid "PROT" and resid 21   and name HN  ))
      5.100     3.200     0.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.12840E-03 ppm1      7.962 ppm2      6.773 CV     1
 ASSI {  841}
   (( segid "PROT" and resid 23   and name HN  ))
   (( segid "PROT" and resid 23   and name HA  ))
      4.200     2.200     1.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.27886E-03 ppm1      7.956 ppm2      4.470 CV     1
 ASSI {  843}
   (( segid "PROT" and resid 23   and name HN  ))
   (( segid "PROT" and resid 22   and name HA  ))
      4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.32258E-03 ppm1      7.949 ppm2      3.827 CV     1
 ASSI {  846}
   (( segid "PROT" and resid 98   and name HN  ))
   (( segid "PROT" and resid 96   and name HA  ))
      4.000     2.000     2.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.49184E-03 ppm1      7.469 ppm2      4.662 CV     1
 ASSI {  847}
   (( segid "PROT" and resid 98   and name HN  ))
   (( segid "PROT" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.28004E-02 ppm1      7.468 ppm2      4.044 CV     1
 ASSI {  848}
   (( segid "PROT" and resid 98   and name HN  ))
   (( segid "PROT" and resid 99   and name HB1 ))
      5.000     3.100     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.22627E-03 ppm1      7.466 ppm2      2.834 CV     1
 ASSI {  849}
   (( segid "PROT" and resid 98   and name HN  ))
   (( segid "PROT" and resid 98   and name HB2 ))
      2.200     0.600     0.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.12020E-01 ppm1      7.468 ppm2      2.201 CV     1
 OR {  849}
   (( segid "PROT" and resid 98   and name HN  ))
   (( segid "PROT" and resid 98   and name HB1 ))
 ASSI {  852}
   (( segid "PROT" and resid 98   and name HN  ))
   (  segid "PROT" and resid 97   and name HG2%)
      3.200     1.300     1.300 peak   852 spectrum    1 weight  0.10000E+01 volume  0.13157E-02 ppm1      7.467 ppm2      0.950 CV     1
 ASSI {  855}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 70   and name HB1 ))
      5.200     3.400     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.17124E-03 ppm1      7.458 ppm2      2.591 CV     1
 ASSI {  857}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 70   and name HG1 ))
      4.600     2.600     1.400 peak   857 spectrum    1 weight  0.10000E+01 volume  0.50885E-03 ppm1      7.461 ppm2      1.900 CV     1
 ASSI {  858}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 70   and name HG2 ))
      2.800     1.000     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.18024E-02 ppm1      7.457 ppm2      1.756 CV     1
 ASSI {  859}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 60   and name HB2 ))
      4.800     2.900     1.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.17048E-03 ppm1      7.460 ppm2      1.654 CV     1
 ASSI {  862}
   (( segid "PROT" and resid 71   and name HN  ))
   (  segid "PROT" and resid 58   and name HD1%)
      4.900     3.000     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.15507E-03 ppm1      7.459 ppm2      0.800 CV     1
 ASSI {  864}
   (( segid "PROT" and resid 71   and name HN  ))
   (  segid "PROT" and resid 68   and name HG1%)
      4.800     2.800     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.25164E-03 ppm1      7.458 ppm2      0.571 CV     1
 ASSI {  867}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.49148E-02 ppm1      7.452 ppm2      3.817 CV     1
 ASSI {  868}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 70   and name HD2 ))
      2.500     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.25455E-02 ppm1      7.453 ppm2      3.699 CV     1
 ASSI {  869}
   (( segid "PROT" and resid 71   and name HN  ))
   (  segid "PROT" and resid 71   and name HG2%)
      2.900     1.000     1.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.19174E-02 ppm1      7.452 ppm2      1.220 CV     1
 ASSI {  870}
   (( segid "PROT" and resid 71   and name HN  ))
   (  segid "PROT" and resid 71   and name HG1%)
      2.900     1.100     1.100 peak   870 spectrum    1 weight  0.10000E+01 volume  0.75814E-02 ppm1      7.453 ppm2      1.102 CV     1
 ASSI {  871}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 70   and name HD1 ))
      3.600     1.600     1.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      7.449 ppm2      3.595 CV     1
 ASSI {  872}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      4.800     2.900     1.200 peak   872 spectrum    1 weight  0.10000E+01 volume  0.29535E-03 ppm1      8.516 ppm2      2.926 CV     1
 ASSI {  874}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.62155E-02 ppm1      8.511 ppm2      7.698 CV     1
 ASSI {  875}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.13265E-02 ppm1      8.510 ppm2      4.874 CV     1
 ASSI {  876}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.43469E-02 ppm1      8.513 ppm2      4.400 CV     1
 ASSI {  877}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 5    and name HA  ))
      4.200     2.200     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.86665E-03 ppm1      8.512 ppm2      4.247 CV     1
 OR {  877}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 5    and name HB  ))
 ASSI {  878}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   878 spectrum    1 weight  0.10000E+01 volume  0.20809E-02 ppm1      8.513 ppm2      3.817 CV     1
 ASSI {  879}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.84528E-02 ppm1      8.511 ppm2      2.763 CV     1
 ASSI {  881}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 5    and name HA  ))
      4.400     2.400     1.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.71238E-03 ppm1      8.505 ppm2      4.292 CV     1
 ASSI {  884}
   (( segid "PROT" and resid 40   and name HN  ))
   (( segid "PROT" and resid 39   and name HB1 ))
      3.300     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.86274E-03 ppm1      7.959 ppm2      1.804 CV     1
 ASSI {  886}
   (( segid "PROT" and resid 40   and name HN  ))
   (( segid "PROT" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.24986E-02 ppm1      7.952 ppm2      4.740 CV     1
 ASSI {  889}
   (( segid "PROT" and resid 40   and name HN  ))
   (( segid "PROT" and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.75024E-03 ppm1      7.951 ppm2      2.931 CV     1
 ASSI {  892}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.34137E-02 ppm1      7.243 ppm2      7.978 CV     1
 ASSI {  893}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 73   and name HA  ))
      4.100     2.100     1.900 peak   893 spectrum    1 weight  0.10000E+01 volume  0.16001E-03 ppm1      7.246 ppm2      4.026 CV     1
 ASSI {  894}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 77   and name HA  ))
      2.600     0.800     0.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.48309E-02 ppm1      7.245 ppm2      3.935 CV     1
 ASSI {  895}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.84965E-03 ppm1      7.246 ppm2      3.746 CV     1
 ASSI {  896}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 75   and name HA  ))
      5.700     4.100     0.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.48400E-04 ppm1      7.246 ppm2      3.599 CV     1
 ASSI {  897}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   897 spectrum    1 weight  0.10000E+01 volume  0.15957E-02 ppm1      7.245 ppm2      3.513 CV     1
 ASSI {  898}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 78   and name HA  ))
      5.700     4.100     0.300 peak   898 spectrum    1 weight  0.10000E+01 volume  0.15002E-03 ppm1      7.244 ppm2      3.284 CV     1
 ASSI {  899}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 76   and name HG1 ))
      4.400     2.500     1.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.43564E-03 ppm1      7.243 ppm2      2.550 CV     1
 ASSI {  900}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.30937E-02 ppm1      7.244 ppm2      2.185 CV     1
 OR {  900}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 76   and name HG2 ))
 ASSI {  901}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 77   and name HB  ))
      2.200     0.600     0.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.10677E-01 ppm1      7.244 ppm2      2.108 CV     1
 ASSI {  902}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 80   and name HB% )
      3.800     3.800     2.200 peak   902 spectrum    1 weight  0.10000E+01 volume  0.87666E-03 ppm1      7.244 ppm2      1.522 CV     1
 ASSI {  903}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.13638E-02 ppm1      7.245 ppm2      1.288 CV     1
 ASSI {  904}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 77   and name HG2%)
      2.500     0.800     0.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.48954E-02 ppm1      7.245 ppm2      1.212 CV     1
 ASSI {  905}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 77   and name HG1%)
      3.600     1.600     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.28316E-02 ppm1      7.242 ppm2      1.066 CV     1
 ASSI {  910}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 64   and name HB  ))
      3.900     1.900     1.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.85106E-03 ppm1      8.598 ppm2      4.587 CV     1
 ASSI {  911}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 62   and name HE1 ))
      2.700     2.700     3.300 peak   911 spectrum    1 weight  0.10000E+01 volume  0.14209E-02 ppm1      8.601 ppm2      2.697 CV     1
 OR {  911}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 62   and name HE2 ))
 ASSI {  912}
   (( segid "PROT" and resid 64   and name HN  ))
   (  segid "PROT" and resid 64   and name HG2%)
      2.800     1.000     1.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.33255E-02 ppm1      8.598 ppm2      1.117 CV     1
 ASSI {  913}
   (( segid "PROT" and resid 64   and name HN  ))
   (  segid "PROT" and resid 61   and name HD2%)
      4.700     2.800     1.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.21772E-03 ppm1      8.600 ppm2      0.683 CV     1
 ASSI {  914}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      8.597 ppm2      9.046 CV     1
 ASSI {  916}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 63   and name HA2 ))
      2.500     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.61153E-02 ppm1      8.596 ppm2      3.667 CV     1
 ASSI {  917}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 65   and name HB2 ))
      3.500     1.500     1.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.24462E-02 ppm1      8.595 ppm2      2.136 CV     1
 ASSI {  918}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 65   and name HB1 ))
      5.800     4.200     0.200 peak   918 spectrum    1 weight  0.10000E+01 volume  0.20107E-03 ppm1      8.593 ppm2      1.876 CV     1
 ASSI {  919}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 10   and name HB1 ))
      3.600     1.700     1.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      8.570 ppm2      2.923 CV     1
 ASSI {  920}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 12   and name HB1 ))
      5.300     3.500     0.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.20835E-03 ppm1      8.573 ppm2      2.208 CV     1
 OR {  920}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 12   and name HG2 ))
 ASSI {  924}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 10   and name HB2 ))
      2.900     1.100     1.100 peak   924 spectrum    1 weight  0.10000E+01 volume  0.20633E-02 ppm1      8.568 ppm2      3.236 CV     1
 ASSI {  925}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 11   and name HG1 ))
      2.900     1.100     1.100 peak   925 spectrum    1 weight  0.10000E+01 volume  0.52769E-02 ppm1      8.567 ppm2      2.695 CV     1
 OR {  925}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 11   and name HG2 ))
 ASSI {  926}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.34841E-02 ppm1      8.567 ppm2      2.297 CV     1
 ASSI {  927}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      8.568 ppm2      2.014 CV     1
 ASSI {  928}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.21941E-03 ppm1      7.977 ppm2      7.149 CV     1
 ASSI {  929}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   929 spectrum    1 weight  0.10000E+01 volume  0.15527E-02 ppm1      7.976 ppm2      4.032 CV     1
 ASSI {  930}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   930 spectrum    1 weight  0.10000E+01 volume  0.16403E-02 ppm1      7.975 ppm2      3.742 CV     1
 ASSI {  931}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   931 spectrum    1 weight  0.10000E+01 volume  0.96407E-03 ppm1      7.979 ppm2      3.586 CV     1
 ASSI {  932}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 76   and name HG1 ))
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.52828E-02 ppm1      7.975 ppm2      2.552 CV     1
 ASSI {  933}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 76   and name HG2 ))
      3.000     1.100     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.56626E-02 ppm1      7.977 ppm2      2.187 CV     1
 OR {  933}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 76   and name HB1 ))
 ASSI {  934}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      5.100     3.300     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.10841E-03 ppm1      7.978 ppm2      1.310 CV     1
 ASSI {  936}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 90   and name HD2 ))
      4.600     2.700     1.400 peak   936 spectrum    1 weight  0.10000E+01 volume  0.22122E-03 ppm1      7.976 ppm2      0.794 CV     1
 ASSI {  937}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 75   and name HN  ))
      2.400     0.700     0.700 peak   937 spectrum    1 weight  0.10000E+01 volume  0.47327E-02 ppm1      7.973 ppm2      8.835 CV     1
 ASSI {  941}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   941 spectrum    1 weight  0.10000E+01 volume  0.15715E-02 ppm1      7.640 ppm2      4.224 CV     1
 ASSI {  942}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 24   and name HB2 ))
      3.300     1.300     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.30840E-02 ppm1      7.640 ppm2      2.103 CV     1
 ASSI {  943}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 25   and name HG  ))
      2.400     0.700     0.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.46862E-02 ppm1      7.640 ppm2      1.759 CV     1
 ASSI {  944}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 25   and name HB1 ))
      2.300     0.700     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.85741E-02 ppm1      7.640 ppm2      1.624 CV     1
 OR {  944}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 25   and name HB2 ))
 ASSI {  945}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 50   and name HB2 ))
      4.000     2.000     2.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.61089E-03 ppm1      7.640 ppm2      1.517 CV     1
 ASSI {  946}
   (( segid "PROT" and resid 25   and name HN  ))
   (  segid "PROT" and resid 25   and name HD1%)
      3.300     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.31540E-02 ppm1      7.641 ppm2      0.814 CV     1
 ASSI {  949}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 24   and name HA  ))
      4.000     2.000     2.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.49327E-03 ppm1      7.637 ppm2      3.925 CV     1
 ASSI {  950}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 22   and name HA  ))
      3.700     1.700     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.52869E-03 ppm1      7.636 ppm2      3.834 CV     1
 ASSI {  952}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   952 spectrum    1 weight  0.10000E+01 volume  0.21100E-02 ppm1      7.576 ppm2      4.408 CV     1
 ASSI {  954}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 86   and name HG12))
      5.500     3.700     0.500 peak   954 spectrum    1 weight  0.10000E+01 volume  0.24347E-03 ppm1      7.578 ppm2      0.694 CV     1
 ASSI {  955}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 89   and name HN  ))
      5.200     3.300     0.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.15004E-03 ppm1      7.574 ppm2      8.676 CV     1
 ASSI {  957}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 88   and name HN  ))
      2.500     0.800     0.800 peak   957 spectrum    1 weight  0.10000E+01 volume  0.37960E-02 ppm1      7.574 ppm2      7.866 CV     1
 ASSI {  958}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 85   and name HA  ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.52781E-03 ppm1      7.573 ppm2      4.320 CV     1
 ASSI {  960}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 87   and name HA  ))
      2.600     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.37385E-02 ppm1      7.574 ppm2      3.857 CV     1
 ASSI {  961}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      7.575 ppm2      3.160 CV     1
 ASSI {  962}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 87   and name HG2 ))
      2.600     0.800     0.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      7.574 ppm2      2.413 CV     1
 OR {  962}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 87   and name HG1 ))
 ASSI {  963}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 87   and name HB1 ))
      2.100     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.16823E-01 ppm1      7.575 ppm2      2.134 CV     1
 OR {  963}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 87   and name HB2 ))
 ASSI {  965}
   (( segid "PROT" and resid 87   and name HN  ))
   (( segid "PROT" and resid 86   and name HB  ))
      2.600     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.575 ppm2      1.795 CV     1
 ASSI {  970}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HA  ))
      3.900     1.900     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.70102E-03 ppm1      6.774 ppm2      4.471 CV     1
 ASSI {  971}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.42349E-02 ppm1      6.772 ppm2      4.407 CV     1
 ASSI {  972}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HD1 ))
      3.600     1.600     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.17989E-02 ppm1      6.771 ppm2      3.525 CV     1
 ASSI {  973}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 21   and name HB2 ))
      2.400     2.400     3.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.47601E-02 ppm1      6.771 ppm2      3.242 CV     1
 ASSI {  974}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.28663E-02 ppm1      6.772 ppm2      2.742 CV     1
 ASSI {  978}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HB1 ))
      4.700     2.800     1.300 peak   978 spectrum    1 weight  0.10000E+01 volume  0.70096E-03 ppm1      6.771 ppm2      2.343 CV     1
 ASSI {  979}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HG2 ))
      3.600     1.600     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.22045E-02 ppm1      6.769 ppm2      2.150 CV     1
 OR {  979}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HG1 ))
 ASSI {  980}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.89123E-03 ppm1      6.770 ppm2      1.743 CV     1
 ASSI {  983}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 62   and name HG2 ))
      5.000     3.100     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.12530E-03 ppm1      8.214 ppm2      1.175 CV     1
 ASSI {  984}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.52148E-02 ppm1      8.207 ppm2      7.504 CV     1
 ASSI {  986}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 61   and name HN  ))
      2.200     0.600     0.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.78361E-02 ppm1      8.208 ppm2      6.684 CV     1
 ASSI {  987}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      8.206 ppm2      4.829 CV     1
 ASSI {  988}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.44980E-02 ppm1      8.208 ppm2      3.760 CV     1
 ASSI {  989}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 60   and name HG2 ))
      3.200     1.300     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.35412E-02 ppm1      8.206 ppm2      2.375 CV     1
 OR {  989}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  990}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.59651E-03 ppm1      8.211 ppm2      2.108 CV     1
 ASSI {  995}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 61   and name HB2 ))
      5.700     4.000     0.300 peak   995 spectrum    1 weight  0.10000E+01 volume  0.16249E-03 ppm1      8.209 ppm2      1.408 CV     1
 OR {  995}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 61   and name HG  ))
 ASSI {  997}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 61   and name HB1 ))
      4.000     2.000     2.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.78920E-03 ppm1      8.211 ppm2      0.955 CV     1
 ASSI {  998}
   (( segid "PROT" and resid 60   and name HN  ))
   (  segid "PROT" and resid 58   and name HD1%)
      3.500     1.600     1.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.17822E-02 ppm1      8.210 ppm2      0.799 CV     1
 ASSI { 1000}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.300     1.400     1.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      8.205 ppm2      4.523 CV     1
 ASSI { 1001}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 60   and name HB1 ))
      2.600     0.900     0.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      8.205 ppm2      2.233 CV     1
 ASSI { 1003}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 121  and name HB1 ))
      5.900     4.400     0.100 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.11840E-03 ppm1      7.802 ppm2      1.154 CV     1
 ASSI { 1004}
   (( segid "PROT" and resid 120  and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      3.800     1.800     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      7.800 ppm2      0.493 CV     1
 OR { 1004}
   (( segid "PROT" and resid 120  and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI { 1005}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 121  and name HN  ))
      2.400     0.700     0.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.44967E-02 ppm1      7.796 ppm2      8.145 CV     1
 ASSI { 1006}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 122  and name HN  ))
      4.200     2.200     1.800 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.35495E-03 ppm1      7.796 ppm2      7.433 CV     1
 ASSI { 1008}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 95   and name HB2 ))
      3.000     3.000     3.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.31145E-02 ppm1      7.797 ppm2      2.184 CV     1
 ASSI { 1009}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 119  and name HB2 ))
      2.700     0.900     0.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.51836E-02 ppm1      7.797 ppm2      2.085 CV     1
 ASSI { 1010}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 120  and name HB1 ))
      2.900     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.63957E-02 ppm1      7.797 ppm2      1.707 CV     1
 ASSI { 1011}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.53014E-02 ppm1      7.796 ppm2      1.566 CV     1
 OR { 1011}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 ASSI { 1012}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 119  and name HG1 ))
      6.000     4.700     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.48173E-04 ppm1      7.790 ppm2      2.343 CV     1
 OR { 1012}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 119  and name HG2 ))
 ASSI { 1014}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 99   and name HA  ))
      2.900     1.100     1.100 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.26196E-02 ppm1      7.679 ppm2      4.538 CV     1
 ASSI { 1015}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 98   and name HA  ))
      3.100     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      7.679 ppm2      4.047 CV     1
 ASSI { 1016}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 97   and name HA  ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.72008E-03 ppm1      7.679 ppm2      3.873 CV     1
 ASSI { 1017}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 99   and name HB1 ))
      2.100     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.99532E-02 ppm1      7.679 ppm2      2.836 CV     1
 ASSI { 1018}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 96   and name HB1 ))
      6.000     4.900     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.45515E-04 ppm1      7.677 ppm2      2.571 CV     1
 ASSI { 1020}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.55345E-02 ppm1      7.679 ppm2      2.201 CV     1
 OR { 1020}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 98   and name HB1 ))
 ASSI { 1021}
   (( segid "PROT" and resid 99   and name HN  ))
   (  segid "PROT" and resid 100  and name HB% )
      4.100     2.100     1.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.92845E-03 ppm1      7.679 ppm2      1.527 CV     1
 ASSI { 1022}
   (( segid "PROT" and resid 99   and name HN  ))
   (  segid "PROT" and resid 97   and name HG2%)
      4.200     2.200     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.13026E-03 ppm1      7.679 ppm2      0.936 CV     1
 ASSI { 1023}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 24   and name HB1 ))
      2.700     0.900     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.24295E-02 ppm1      7.639 ppm2      2.224 CV     1
 ASSI { 1024}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 99   and name HB2 ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.94687E-02 ppm1      7.680 ppm2      2.786 CV     1
 ASSI { 1026}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.30379E-02 ppm1      7.751 ppm2      8.473 CV     1
 ASSI { 1027}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 26   and name HA  ))
      2.200     0.600     0.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.13598E-01 ppm1      7.753 ppm2      4.361 CV     1
 ASSI { 1028}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.27282E-02 ppm1      7.751 ppm2      4.221 CV     1
 ASSI { 1029}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 24   and name HA  ))
      5.100     3.300     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.11471E-03 ppm1      7.754 ppm2      3.917 CV     1
 ASSI { 1030}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 22   and name HA  ))
      5.500     3.800     0.500 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.56070E-04 ppm1      7.755 ppm2      3.840 CV     1
 ASSI { 1031}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 26   and name HB2 ))
      3.300     1.300     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.19029E-02 ppm1      7.753 ppm2      3.349 CV     1
 ASSI { 1033}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.22654E-03 ppm1      7.755 ppm2      2.104 CV     1
 ASSI { 1034}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      7.753 ppm2      1.661 CV     1
 ASSI { 1035}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 25   and name HB1 ))
      3.200     1.300     1.300 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.28173E-02 ppm1      7.751 ppm2      1.605 CV     1
 ASSI { 1038}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 26   and name HB1 ))
      3.300     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.12905E-02 ppm1      7.750 ppm2      3.548 CV     1
 ASSI { 1039}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 25   and name HG  ))
      4.600     2.600     1.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.40510E-03 ppm1      7.748 ppm2      1.756 CV     1
 ASSI { 1041}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 100  and name HA  ))
      4.800     2.800     1.200 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.43023E-03 ppm1      7.681 ppm2      4.376 CV     1
 ASSI { 1043}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 95   and name HA  ))
      3.300     1.400     1.400 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.12959E-02 ppm1      8.549 ppm2      4.088 CV     1
 ASSI { 1044}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 96   and name HB1 ))
      3.600     1.600     1.600 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      8.549 ppm2      2.581 CV     1
 ASSI { 1045}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.52237E-02 ppm1      8.549 ppm2      2.424 CV     1
 ASSI { 1046}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 95   and name HB2 ))
      2.900     1.100     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.26308E-02 ppm1      8.550 ppm2      2.183 CV     1
 ASSI { 1048}
   (( segid "PROT" and resid 96   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      3.600     1.600     1.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.73240E-03 ppm1      8.551 ppm2      0.495 CV     1
 ASSI { 1049}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 96   and name HA  ))
      2.800     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.28249E-02 ppm1      8.548 ppm2      4.661 CV     1
 ASSI { 1050}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 93   and name HA  ))
      3.600     1.600     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.69210E-03 ppm1      8.548 ppm2      4.221 CV     1
 ASSI { 1051}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 92   and name HA  ))
      5.000     3.100     1.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.15464E-03 ppm1      8.546 ppm2      3.559 CV     1
 ASSI { 1052}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 116  and name HB2 ))
      4.700     2.700     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.12509E-03 ppm1      8.544 ppm2      3.191 CV     1
 ASSI { 1054}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 97   and name HB  ))
      4.400     2.400     1.600 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.63894E-03 ppm1      8.546 ppm2      2.350 CV     1
 ASSI { 1055}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 95   and name HB1 ))
      3.400     1.400     1.400 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      8.547 ppm2      2.001 CV     1
 ASSI { 1056}
   (( segid "PROT" and resid 96   and name HN  ))
   (  segid "PROT" and resid 93   and name HB% )
      5.100     3.200     0.900 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.18433E-03 ppm1      8.545 ppm2      1.750 CV     1
 ASSI { 1057}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 115  and name HA  ))
      3.300     1.400     1.400 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11122E-02 ppm1      8.452 ppm2      4.316 CV     1
 ASSI { 1058}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 117  and name HN  ))
      2.900     1.000     1.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.19881E-02 ppm1      8.446 ppm2      7.952 CV     1
 ASSI { 1060}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 118  and name HA  ))
      2.600     0.800     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.39946E-02 ppm1      8.446 ppm2      3.656 CV     1
 ASSI { 1061}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 117  and name HB1 ))
      2.600     0.800     0.800 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.35976E-02 ppm1      8.447 ppm2      2.994 CV     1
 ASSI { 1062}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 118  and name HB  ))
      2.300     0.700     0.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.70641E-02 ppm1      8.446 ppm2      1.984 CV     1
 ASSI { 1063}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 118  and name HG11))
      2.500     2.500     3.500 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.42055E-02 ppm1      8.448 ppm2      1.761 CV     1
 ASSI { 1064}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 118  and name HG12))
      2.600     0.800     0.800 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.52596E-02 ppm1      8.447 ppm2      1.361 CV     1
 ASSI { 1065}
   (( segid "PROT" and resid 118  and name HN  ))
   (  segid "PROT" and resid 118  and name HG2%)
      3.400     1.500     1.500 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.32688E-02 ppm1      8.446 ppm2      1.005 CV     1
 ASSI { 1066}
   (( segid "PROT" and resid 118  and name HN  ))
   (  segid "PROT" and resid 118  and name HD1%)
      3.700     1.700     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.11500E-02 ppm1      8.446 ppm2      0.859 CV     1
 ASSI { 1067}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 119  and name HN  ))
      2.600     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.31693E-02 ppm1      8.442 ppm2      7.861 CV     1
 ASSI { 1068}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 117  and name HA  ))
      3.400     1.500     1.500 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.10615E-02 ppm1      8.443 ppm2      3.514 CV     1
 ASSI { 1069}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 117  and name HB2 ))
      3.300     1.400     1.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.20123E-02 ppm1      8.442 ppm2      2.364 CV     1
 ASSI { 1070}
   (( segid "PROT" and resid 19   and name HN  ))
   (  segid "PROT" and resid 22   and name HB% )
      6.000     5.300     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.42632E-04 ppm1      7.837 ppm2      1.424 CV     1
 ASSI { 1071}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.63677E-03 ppm1      7.828 ppm2      8.427 CV     1
 ASSI { 1072}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.24037E-02 ppm1      7.829 ppm2      4.431 CV     1
 ASSI { 1073}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 19   and name HG1 ))
      2.900     1.100     1.100 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.17308E-02 ppm1      7.830 ppm2      2.763 CV     1
 ASSI { 1075}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 18   and name HB  ))
      2.900     1.000     1.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.19161E-02 ppm1      7.828 ppm2      1.897 CV     1
 ASSI { 1076}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 20   and name HD1 ))
      3.000     1.100     1.100 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.22284E-02 ppm1      7.826 ppm2      3.521 CV     1
 ASSI { 1077}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 20   and name HD2 ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      7.827 ppm2      3.397 CV     1
 ASSI { 1078}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 19   and name HG2 ))
      2.800     1.000     1.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.32065E-02 ppm1      7.826 ppm2      2.553 CV     1
 ASSI { 1079}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 18   and name HG11))
      4.200     2.200     1.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.60109E-03 ppm1      7.824 ppm2      1.805 CV     1
 ASSI { 1080}
   (( segid "PROT" and resid 19   and name HN  ))
   (  segid "PROT" and resid 18   and name HG2%)
      4.000     2.000     2.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.47700E-03 ppm1      7.826 ppm2      0.910 CV     1
 ASSI { 1081}
   (( segid "PROT" and resid 19   and name HN  ))
   (( segid "PROT" and resid 18   and name HG12))
      3.700     1.700     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.15389E-02 ppm1      7.827 ppm2      0.823 CV     1
 ASSI { 1085}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.37597E-02 ppm1      8.293 ppm2      8.661 CV     1
 ASSI { 1086}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 77   and name HN  ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.84946E-03 ppm1      8.293 ppm2      7.257 CV     1
 ASSI { 1087}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 79   and name HD2 ))
      3.100     1.200     1.200 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      8.292 ppm2      6.905 CV     1
 ASSI { 1088}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 80   and name HN  ))
      2.800     1.000     1.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.31503E-02 ppm1      8.292 ppm2      6.540 CV     1
 ASSI { 1090}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      8.293 ppm2      3.368 CV     1
 ASSI { 1093}
   (( segid "PROT" and resid 79   and name HN  ))
   (  segid "PROT" and resid 80   and name HB% )
      3.900     1.900     1.900 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.10913E-02 ppm1      8.295 ppm2      1.518 CV     1
 ASSI { 1094}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 78   and name HB  ))
      2.800     1.000     1.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.27373E-02 ppm1      8.292 ppm2      1.285 CV     1
 ASSI { 1095}
   (( segid "PROT" and resid 79   and name HN  ))
   (  segid "PROT" and resid 78   and name HG2%)
      3.200     1.300     1.300 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.36693E-02 ppm1      8.294 ppm2      0.324 CV     1
 ASSI { 1096}
   (( segid "PROT" and resid 79   and name HN  ))
   (  segid "PROT" and resid 78   and name HG1%)
      3.600     1.700     1.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.77925E-03 ppm1      8.295 ppm2     -0.365 CV     1
 ASSI { 1097}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 93   and name HA  ))
      3.900     1.900     1.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.43367E-03 ppm1      7.989 ppm2      4.223 CV     1
 ASSI { 1098}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 94   and name HD21))
      3.600     1.600     1.600 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.85709E-03 ppm1      7.988 ppm2      6.962 CV     1
 ASSI { 1101}
   (( segid "PROT" and resid 14   and name HN  ))
   (( segid "PROT" and resid 14   and name HG  ))
      3.000     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.299 ppm2      2.258 CV     1
 ASSI { 1102}
   (( segid "PROT" and resid 14   and name HN  ))
   (( segid "PROT" and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.17644E-02 ppm1      8.299 ppm2      2.047 CV     1
 ASSI { 1103}
   (( segid "PROT" and resid 14   and name HN  ))
   (( segid "PROT" and resid 14   and name HB1 ))
      3.700     1.700     1.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.13023E-02 ppm1      8.299 ppm2      1.598 CV     1
 ASSI { 1104}
   (( segid "PROT" and resid 14   and name HN  ))
   (  segid "PROT" and resid 14   and name HD1%)
      3.900     1.900     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10357E-02 ppm1      8.301 ppm2      1.116 CV     1
 ASSI { 1109}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      7.989 ppm2      4.613 CV     1
 ASSI { 1110}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 91   and name HA2 ))
      3.700     1.700     1.700 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.67041E-03 ppm1      7.990 ppm2      3.953 CV     1
 OR { 1110}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI { 1111}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 95   and name HB1 ))
      5.600     3.900     0.400 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.19836E-03 ppm1      7.992 ppm2      2.013 CV     1
 ASSI { 1112}
   (( segid "PROT" and resid 94   and name HN  ))
   (  segid "PROT" and resid 97   and name HD1%)
      3.900     1.900     1.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.49657E-03 ppm1      7.990 ppm2      0.715 CV     1
 ASSI { 1113}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      7.986 ppm2      8.755 CV     1
 ASSI { 1114}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 95   and name HN  ))
      2.600     0.800     0.800 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.36350E-02 ppm1      7.986 ppm2      8.607 CV     1
 ASSI { 1116}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 94   and name HB1 ))
      2.900     1.000     1.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.50784E-02 ppm1      7.987 ppm2      3.185 CV     1
 ASSI { 1117}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 94   and name HB2 ))
      2.500     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      7.987 ppm2      2.956 CV     1
 ASSI { 1118}
   (( segid "PROT" and resid 94   and name HN  ))
   (  segid "PROT" and resid 93   and name HB% )
      3.200     1.200     1.200 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.17314E-02 ppm1      7.987 ppm2      1.741 CV     1
 ASSI { 1119}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 18   and name HG11))
      4.000     2.000     2.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.60772E-03 ppm1      8.024 ppm2      1.806 CV     1
 ASSI { 1121}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 18   and name HN  ))
      2.400     0.700     0.700 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.50961E-02 ppm1      8.020 ppm2      8.422 CV     1
 ASSI { 1122}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 17   and name HA  ))
      3.100     1.200     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1      8.016 ppm2      4.844 CV     1
 ASSI { 1123}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HD1 ))
      4.500     2.600     1.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.44564E-03 ppm1      8.018 ppm2      3.626 CV     1
 ASSI { 1124}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HD2 ))
      2.900     1.100     1.100 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.13386E-02 ppm1      8.018 ppm2      3.506 CV     1
 ASSI { 1125}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 17   and name HB1 ))
      3.000     1.200     1.200 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.54142E-02 ppm1      8.017 ppm2      2.625 CV     1
 ASSI { 1126}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HA  ))
      3.500     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.75769E-03 ppm1      8.015 ppm2      4.362 CV     1
 ASSI { 1128}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.30566E-02 ppm1      8.015 ppm2      2.537 CV     1
 ASSI { 1129}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HG1 ))
      4.000     2.000     2.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.43816E-03 ppm1      8.015 ppm2      1.978 CV     1
 OR { 1129}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HG2 ))
 ASSI { 1130}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 18   and name HB  ))
      4.300     2.300     1.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.89970E-03 ppm1      8.015 ppm2      1.893 CV     1
 ASSI { 1131}
   (( segid "PROT" and resid 122  and name HN  ))
   (  segid "PROT" and resid 121  and name HD2%)
      5.600     3.900     0.400 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.13995E-03 ppm1      7.426 ppm2      0.654 CV     1
 ASSI { 1132}
   (( segid "PROT" and resid 122  and name HN  ))
   (  segid "PROT" and resid 121  and name HD1%)
      5.200     3.400     0.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.18941E-03 ppm1      7.425 ppm2      0.583 CV     1
 ASSI { 1133}
   (( segid "PROT" and resid 82   and name HD22))
   (( segid "PROT" and resid 82   and name HD21))
      1.800     0.400     0.400 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.18368E-01 ppm1      7.413 ppm2      6.925 CV     1
 ASSI { 1135}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 4    and name HA  ))
      3.400     1.500     1.500 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.12358E-02 ppm1      7.698 ppm2      4.402 CV     1
 ASSI { 1136}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 5    and name HA  ))
      2.400     0.700     0.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.77899E-02 ppm1      7.697 ppm2      4.271 CV     1
 ASSI { 1137}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 5    and name HB  ))
      2.900     1.000     1.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.30540E-02 ppm1      7.696 ppm2      4.206 CV     1
 ASSI { 1141}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 5    and name HG1 ))
      2.900     1.000     1.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.27823E-02 ppm1      7.697 ppm2      1.269 CV     1
 OR { 1141}
   (( segid "PROT" and resid 5    and name HN  ))
   (  segid "PROT" and resid 5    and name HG2%)
 ASSI { 1142}
   (( segid "PROT" and resid 5    and name HN  ))
   (  segid "PROT" and resid 6    and name HG2%)
      3.700     1.700     1.700 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      7.700 ppm2      1.184 CV     1
 ASSI { 1144}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 122  and name HA  ))
      2.900     1.000     1.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.16948E-02 ppm1      7.429 ppm2      4.964 CV     1
 ASSI { 1146}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 118  and name HA  ))
      3.400     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.87583E-03 ppm1      7.434 ppm2      3.648 CV     1
 ASSI { 1147}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 121  and name HN  ))
      2.500     0.800     0.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.36972E-02 ppm1      7.428 ppm2      8.144 CV     1
 ASSI { 1148}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 121  and name HA  ))
      3.100     1.200     1.200 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.19127E-02 ppm1      7.427 ppm2      3.730 CV     1
 ASSI { 1149}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 122  and name HB2 ))
      3.000     1.100     1.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.40532E-02 ppm1      7.428 ppm2      3.474 CV     1
 ASSI { 1150}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 122  and name HB1 ))
      2.500     0.800     0.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.64172E-02 ppm1      7.426 ppm2      2.933 CV     1
 ASSI { 1151}
   (( segid "PROT" and resid 122  and name HN  ))
   (( segid "PROT" and resid 121  and name HB1 ))
      2.900     1.100     1.100 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.19131E-02 ppm1      7.426 ppm2      1.144 CV     1
 ASSI { 1153}
   (( segid "PROT" and resid 122  and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      4.100     2.100     1.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.13216E-03 ppm1      7.424 ppm2      0.490 CV     1
 OR { 1153}
   (( segid "PROT" and resid 122  and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI { 1154}
   (( segid "PROT" and resid 82   and name HD22))
   (( segid "PROT" and resid 82   and name HB2 ))
      3.600     1.600     1.600 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.23009E-02 ppm1      7.411 ppm2      3.120 CV     1
 ASSI { 1155}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 64   and name HB  ))
      4.700     2.800     1.300 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.20173E-03 ppm1      8.233 ppm2      4.596 CV     1
 ASSI { 1156}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 105  and name HB2 ))
      5.000     3.100     1.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.42633E-03 ppm1      8.232 ppm2      2.933 CV     1
 ASSI { 1157}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      5.600     3.900     0.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.21594E-03 ppm1      8.230 ppm2      2.622 CV     1
 ASSI { 1160}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 103  and name HG1 ))
      4.400     2.400     1.600 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.82308E-03 ppm1      8.234 ppm2      2.167 CV     1
 OR { 1160}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI { 1161}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.15450E-02 ppm1      8.235 ppm2      1.965 CV     1
 ASSI { 1162}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 103  and name HN  ))
      4.600     2.600     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.47861E-03 ppm1      8.233 ppm2      7.512 CV     1
 ASSI { 1164}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 103  and name HB1 ))
      2.700     0.900     0.900 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      8.233 ppm2      2.085 CV     1
 ASSI { 1165}
   (( segid "PROT" and resid 104  and name HN  ))
   (  segid "PROT" and resid 104  and name HG2%)
      2.700     0.900     0.900 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.31853E-02 ppm1      8.233 ppm2      1.195 CV     1
 ASSI { 1166}
   (( segid "PROT" and resid 59   and name HN  ))
   (  segid "PROT" and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.62778E-03 ppm1      7.506 ppm2      0.815 CV     1
 ASSI { 1167}
   (( segid "PROT" and resid 34   and name HD21))
   (( segid "PROT" and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.81378E-03 ppm1      7.501 ppm2      2.890 CV     1
 ASSI { 1169}
   (( segid "PROT" and resid 34   and name HD21))
   (( segid "PROT" and resid 34   and name HB1 ))
      3.500     1.600     1.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.62920E-03 ppm1      7.496 ppm2      2.799 CV     1
 ASSI { 1170}
   (( segid "PROT" and resid 114  and name HN  ))
   (  segid "PROT" and resid 114  and name HG2%)
      3.200     1.300     1.300 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.12928E-02 ppm1      7.445 ppm2      1.312 CV     1
 ASSI { 1171}
   (( segid "PROT" and resid 114  and name HN  ))
   (( segid "PROT" and resid 115  and name HN  ))
      2.800     1.000     1.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.24964E-02 ppm1      7.436 ppm2      8.540 CV     1
 ASSI { 1174}
   (( segid "PROT" and resid 114  and name HN  ))
   (( segid "PROT" and resid 117  and name HB2 ))
      3.700     1.700     1.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.96747E-03 ppm1      7.440 ppm2      2.373 CV     1
 ASSI { 1176}
   (( segid "PROT" and resid 114  and name HN  ))
   (( segid "PROT" and resid 113  and name HN  ))
      2.800     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.22007E-02 ppm1      7.432 ppm2      8.850 CV     1
 ASSI { 1179}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 99   and name HA  ))
      5.200     3.400     0.800 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.25886E-03 ppm1      7.418 ppm2      4.528 CV     1
 ASSI { 1180}
   (( segid "PROT" and resid 102  and name HN  ))
   (( segid "PROT" and resid 102  and name HA2 ))
      2.600     0.900     0.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.44271E-02 ppm1      8.704 ppm2      3.769 CV     1
 ASSI { 1182}
   (( segid "PROT" and resid 102  and name HN  ))
   (( segid "PROT" and resid 101  and name HB1 ))
      3.200     1.200     1.200 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.15419E-02 ppm1      8.704 ppm2      1.893 CV     1
 OR { 1182}
   (( segid "PROT" and resid 102  and name HN  ))
   (( segid "PROT" and resid 101  and name HB2 ))
 ASSI { 1183}
   (( segid "PROT" and resid 102  and name HN  ))
   (( segid "PROT" and resid 101  and name HG1 ))
      3.900     1.900     1.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.69396E-03 ppm1      8.706 ppm2      1.610 CV     1
 ASSI { 1186}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.46470E-02 ppm1      7.500 ppm2      7.806 CV     1
 ASSI { 1188}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 57   and name HA  ))
      3.600     1.700     1.700 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.52844E-03 ppm1      7.501 ppm2      4.074 CV     1
 ASSI { 1189}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 59   and name HA  ))
      2.300     0.700     0.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.72130E-02 ppm1      7.500 ppm2      3.771 CV     1
 ASSI { 1190}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 59   and name HB2 ))
      3.200     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.17984E-02 ppm1      7.504 ppm2      2.452 CV     1
 ASSI { 1191}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 59   and name HB1 ))
      2.900     1.000     1.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.51673E-02 ppm1      7.499 ppm2      2.104 CV     1
 ASSI { 1193}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 58   and name HG12))
      3.700     1.800     1.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.97902E-03 ppm1      7.500 ppm2      1.254 CV     1
 ASSI { 1198}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 111  and name HD21))
      3.800     1.800     1.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.56144E-03 ppm1      8.300 ppm2      7.838 CV     1
 ASSI { 1199}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.11725E-02 ppm1      8.294 ppm2      7.933 CV     1
 ASSI { 1200}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 111  and name HD22))
      4.000     2.000     2.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.91972E-03 ppm1      8.292 ppm2      7.129 CV     1
 ASSI { 1203}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 47   and name HB2 ))
      4.400     2.400     1.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.28183E-03 ppm1      8.293 ppm2      1.685 CV     1
 OR { 1203}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 47   and name HG  ))
 ASSI { 1205}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 110  and name HN  ))
      5.900     4.300     0.100 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.15156E-03 ppm1      8.307 ppm2      8.087 CV     1
 ASSI { 1206}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.25124E-03 ppm1      8.304 ppm2      1.943 CV     1
 ASSI { 1208}
   (( segid "PROT" and resid 48   and name HN  ))
   (( segid "PROT" and resid 48   and name HA2 ))
      3.000     1.100     1.100 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.29822E-02 ppm1      8.299 ppm2      3.683 CV     1
 ASSI { 1210}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 58   and name HG11))
      3.000     1.100     1.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.34301E-02 ppm1      7.801 ppm2      1.596 CV     1
 ASSI { 1214}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 57   and name HA  ))
      3.400     1.400     1.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.86280E-03 ppm1      7.801 ppm2      4.071 CV     1
 ASSI { 1215}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 57   and name HB1 ))
      2.900     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24361E-02 ppm1      7.802 ppm2      2.090 CV     1
 OR { 1215}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 57   and name HG1 ))
 ASSI { 1216}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 57   and name HB2 ))
      3.200     1.300     1.300 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.18006E-02 ppm1      7.803 ppm2      2.006 CV     1
 ASSI { 1217}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 58   and name HG12))
      2.500     0.800     0.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      7.802 ppm2      1.242 CV     1
 ASSI { 1218}
   (( segid "PROT" and resid 58   and name HN  ))
   (  segid "PROT" and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.26924E-02 ppm1      7.802 ppm2      0.953 CV     1
 ASSI { 1219}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.27138E-02 ppm1      7.799 ppm2      8.208 CV     1
 ASSI { 1220}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 58   and name HB  ))
      3.600     1.600     1.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      7.796 ppm2      2.328 CV     1
 ASSI { 1222}
   (( segid "PROT" and resid 58   and name HN  ))
   (  segid "PROT" and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.99340E-03 ppm1      7.797 ppm2      0.796 CV     1
 ASSI { 1223}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.35249E-02 ppm1      8.915 ppm2      7.615 CV     1
 ASSI { 1224}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 80   and name HN  ))
      4.300     2.300     1.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.85966E-03 ppm1      8.915 ppm2      6.537 CV     1
 ASSI { 1226}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 79   and name HA  ))
      3.500     3.500     2.500 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.30691E-03 ppm1      8.915 ppm2      4.551 CV     1
 ASSI { 1227}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 81   and name HA2 ))
      2.500     0.800     0.800 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.50818E-02 ppm1      8.915 ppm2      4.344 CV     1
 ASSI { 1228}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 80   and name HA  ))
      2.200     0.600     0.600 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.11017E-01 ppm1      8.915 ppm2      3.982 CV     1
 ASSI { 1229}
   (( segid "PROT" and resid 81   and name HN  ))
   (( segid "PROT" and resid 81   and name HA1 ))
      2.500     0.800     0.800 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.80402E-02 ppm1      8.915 ppm2      3.705 CV     1
 ASSI { 1230}
   (( segid "PROT" and resid 81   and name HN  ))
   (  segid "PROT" and resid 80   and name HB% )
      3.200     1.300     1.300 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.38558E-02 ppm1      8.913 ppm2      1.518 CV     1
 ASSI { 1231}
   (( segid "PROT" and resid 81   and name HN  ))
   (  segid "PROT" and resid 86   and name HD1%)
      3.100     3.100     2.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.17011E-02 ppm1      8.914 ppm2      0.852 CV     1
 ASSI { 1233}
   (( segid "PROT" and resid 41   and name HN  ))
   (( segid "PROT" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.12600E-02 ppm1      8.111 ppm2      4.756 CV     1
 ASSI { 1234}
   (( segid "PROT" and resid 41   and name HN  ))
   (( segid "PROT" and resid 41   and name HA2 ))
      3.300     1.300     1.300 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.87480E-03 ppm1      8.107 ppm2      4.042 CV     1
 ASSI { 1235}
   (( segid "PROT" and resid 41   and name HN  ))
   (( segid "PROT" and resid 41   and name HA1 ))
      3.600     1.600     1.600 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      8.105 ppm2      3.902 CV     1
 ASSI { 1236}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 90   and name HA  ))
      3.000     1.100     1.100 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.18907E-02 ppm1      7.542 ppm2      3.870 CV     1
 ASSI { 1238}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 90   and name HB2 ))
      3.400     1.500     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.87314E-03 ppm1      7.542 ppm2      1.467 CV     1
 ASSI { 1242}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 91   and name HA1 ))
      2.200     0.600     0.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.11889E-01 ppm1      7.538 ppm2      3.961 CV     1
 OR { 1242}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 91   and name HA2 ))
 ASSI { 1243}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 89   and name HA  ))
      3.900     1.900     1.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.56452E-03 ppm1      7.539 ppm2      3.404 CV     1
 ASSI { 1246}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 92   and name HG12))
      4.000     2.000     2.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.70879E-03 ppm1      7.538 ppm2      0.796 CV     1
 ASSI { 1247}
   (( segid "PROT" and resid 91   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
      6.000     6.000     0.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.42464E-04 ppm1      7.541 ppm2      0.492 CV     1
 OR { 1247}
   (( segid "PROT" and resid 91   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
 ASSI { 1250}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 107  and name HA  ))
      4.700     2.800     1.300 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.11556E-03 ppm1      8.111 ppm2      4.215 CV     1
 ASSI { 1251}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 110  and name HA2 ))
      2.400     0.700     0.700 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.58560E-02 ppm1      8.109 ppm2      3.848 CV     1
 OR { 1251}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 110  and name HA1 ))
 ASSI { 1252}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 109  and name HB  ))
      2.600     0.900     0.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.33057E-02 ppm1      8.112 ppm2      1.941 CV     1
 ASSI { 1254}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 109  and name HG11))
      4.300     2.300     1.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.50013E-03 ppm1      8.109 ppm2      1.709 CV     1
 ASSI { 1255}
   (( segid "PROT" and resid 110  and name HN  ))
   (  segid "PROT" and resid 52   and name HB% )
      3.400     1.400     1.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.13727E-02 ppm1      8.109 ppm2      1.409 CV     1
 ASSI { 1256}
   (( segid "PROT" and resid 110  and name HN  ))
   (  segid "PROT" and resid 109  and name HG2%)
      3.700     1.700     1.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.67433E-03 ppm1      8.111 ppm2      0.831 CV     1
 ASSI { 1257}
   (( segid "PROT" and resid 33   and name HN  ))
   (( segid "PROT" and resid 30   and name HA  ))
      3.300     1.400     1.400 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      7.523 ppm2      4.391 CV     1
 ASSI { 1258}
   (( segid "PROT" and resid 33   and name HN  ))
   (  segid "PROT" and resid 33   and name HG2%)
      3.300     1.400     1.400 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.14660E-02 ppm1      7.521 ppm2      1.223 CV     1
 OR { 1258}
   (( segid "PROT" and resid 33   and name HN  ))
   (( segid "PROT" and resid 33   and name HG1 ))
 ASSI { 1260}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 98   and name HN  ))
      4.800     2.900     1.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.17578E-03 ppm1      8.550 ppm2      7.477 CV     1
 ASSI { 1263}
   (( segid "PROT" and resid 47   and name HN  ))
   (  segid "PROT" and resid 47   and name HD2%)
      4.700     2.800     1.300 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.38504E-03 ppm1      7.932 ppm2      0.849 CV     1
 ASSI { 1264}
   (( segid "PROT" and resid 47   and name HN  ))
   (  segid "PROT" and resid 47   and name HD1%)
      3.800     1.800     1.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.76552E-03 ppm1      7.929 ppm2      0.935 CV     1
 ASSI { 1265}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.24200E-02 ppm1      7.929 ppm2      1.710 CV     1
 ASSI { 1267}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 51   and name HB2 ))
      5.400     3.700     0.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.11280E-03 ppm1      7.929 ppm2      1.856 CV     1
 OR { 1267}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 51   and name HB1 ))
 ASSI { 1268}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 47   and name HB1 ))
      3.600     1.700     1.700 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.83040E-03 ppm1      7.929 ppm2      1.931 CV     1
 ASSI { 1269}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 44   and name HB1 ))
      4.700     2.700     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.28402E-03 ppm1      7.929 ppm2      2.093 CV     1
 OR { 1269}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 44   and name HB2 ))
 ASSI { 1270}
   (( segid "PROT" and resid 47   and name HN  ))
   (( segid "PROT" and resid 29   and name HG1 ))
      3.900     3.900     2.100 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.95951E-03 ppm1      7.923 ppm2      2.206 CV     1
 ASSI { 1272}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 52   and name HA  ))
      4.100     2.100     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.29380E-03 ppm1      8.258 ppm2      4.108 CV     1
 ASSI { 1273}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 55   and name HG1 ))
      2.500     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.48496E-02 ppm1      8.259 ppm2      2.858 CV     1
 ASSI { 1275}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 55   and name HB2 ))
      3.300     1.400     1.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.55137E-03 ppm1      8.254 ppm2      1.925 CV     1
 ASSI { 1278}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HG1 ))
      3.300     1.300     1.300 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.33852E-02 ppm1      7.804 ppm2      1.641 CV     1
 ASSI { 1279}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HA  ))
      2.300     0.600     0.600 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.96137E-02 ppm1      7.805 ppm2      4.032 CV     1
 ASSI { 1280}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.29206E-02 ppm1      7.805 ppm2      3.652 CV     1
 ASSI { 1281}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      7.804 ppm2      3.148 CV     1
 ASSI { 1282}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.52491E-02 ppm1      7.805 ppm2      1.963 CV     1
 OR { 1282}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI { 1285}
   (( segid "PROT" and resid 73   and name HN  ))
   (  segid "PROT" and resid 72   and name HD% )
      3.900     1.900     1.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      7.804 ppm2      7.039 CV     1
 ASSI { 1288}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 71   and name HN  ))
      4.300     2.300     1.700 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.25714E-03 ppm1      7.804 ppm2      7.442 CV     1
 ASSI { 1289}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 82   and name HA  ))
      2.900     1.000     1.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.25842E-02 ppm1      7.611 ppm2      4.987 CV     1
 ASSI { 1290}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 81   and name HA2 ))
      3.900     1.900     1.900 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      7.609 ppm2      4.344 CV     1
 ASSI { 1292}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 81   and name HA1 ))
      3.000     1.100     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.16795E-02 ppm1      7.609 ppm2      3.702 CV     1
 ASSI { 1293}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.41782E-02 ppm1      7.609 ppm2      3.120 CV     1
 ASSI { 1294}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 82   and name HB1 ))
      3.300     1.400     1.400 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.34640E-02 ppm1      7.609 ppm2      2.717 CV     1
 ASSI { 1295}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 86   and name HG11))
      4.300     2.300     1.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.19555E-03 ppm1      7.612 ppm2      1.915 CV     1
 ASSI { 1300}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 83   and name HN  ))
      4.600     2.700     1.400 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.40850E-03 ppm1      7.612 ppm2      8.747 CV     1
 ASSI { 1304}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      3.900     1.900     1.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.38945E-03 ppm1      7.697 ppm2      2.920 CV     1
 ASSI { 1305}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 5    and name HB  ))
      3.000     1.200     1.200 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      7.943 ppm2      4.213 CV     1
 ASSI { 1306}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 89   and name HN  ))
      2.400     0.700     0.700 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.42686E-02 ppm1      8.496 ppm2      8.678 CV     1
 ASSI { 1307}
   (( segid "PROT" and resid 8    and name HN  ))
   (( segid "PROT" and resid 6    and name HN  ))
      4.100     2.100     1.900 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.37745E-03 ppm1      7.701 ppm2      7.937 CV     1
 ASSI { 1309}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 12   and name HB1 ))
      2.200     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.11557E-01 ppm1      8.157 ppm2      2.202 CV     1
 OR { 1309}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 12   and name HG2 ))
 ASSI { 1311}
   (( segid "PROT" and resid 17   and name HN  ))
   (( segid "PROT" and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.59508E-03 ppm1      8.017 ppm2      1.702 CV     1
 ASSI { 1312}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 78   and name HN  ))
      4.700     2.800     1.300 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.20897E-03 ppm1      7.976 ppm2      8.664 CV     1
 ASSI { 1313}
   (( segid "PROT" and resid 32   and name HN  ))
   (( segid "PROT" and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.56984E-03 ppm1      8.030 ppm2      8.286 CV     1
 ASSI { 1315}
   (( segid "PROT" and resid 25   and name HN  ))
   (  segid "PROT" and resid 25   and name HD2%)
      3.300     1.400     1.400 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.20631E-02 ppm1      7.635 ppm2      0.766 CV     1
 ASSI { 1316}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 101  and name HN  ))
      3.700     1.700     1.700 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      7.684 ppm2      7.322 CV     1
 ASSI { 1317}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 98   and name HN  ))
      2.100     0.600     0.600 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.11722E-01 ppm1      7.678 ppm2      7.482 CV     1
 ASSI { 1318}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 100  and name HN  ))
      2.300     0.700     0.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.73869E-02 ppm1      7.682 ppm2      7.532 CV     1
 ASSI { 1319}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 50   and name HB2 ))
      5.000     3.100     1.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.14169E-03 ppm1      7.754 ppm2      1.519 CV     1
 ASSI { 1320}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 25   and name HN  ))
      2.600     0.800     0.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.40487E-02 ppm1      7.753 ppm2      7.638 CV     1
 ASSI { 1321}
   (( segid "PROT" and resid 27   and name HN  ))
   (( segid "PROT" and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.39998E-03 ppm1      8.476 ppm2      8.343 CV     1
 ASSI { 1322}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 27   and name HB  ))
      5.100     3.300     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.11174E-03 ppm1      8.360 ppm2      1.681 CV     1
 ASSI { 1323}
   (( segid "PROT" and resid 28   and name HN  ))
   (( segid "PROT" and resid 31   and name HB  ))
      4.300     2.300     1.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.19903E-03 ppm1      8.360 ppm2      1.922 CV     1
 ASSI { 1324}
   (( segid "PROT" and resid 29   and name HN  ))
   (( segid "PROT" and resid 29   and name HG2 ))
      5.700     4.100     0.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.10633E-03 ppm1      8.796 ppm2      2.337 CV     1
 ASSI { 1333}
   (( segid "PROT" and resid 35   and name HN  ))
   (  segid "PROT" and resid 35   and name HG2%)
      3.700     1.700     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.15463E-02 ppm1      8.336 ppm2      0.909 CV     1
 ASSI { 1334}
   (( segid "PROT" and resid 36   and name HN  ))
   (( segid "PROT" and resid 36   and name HA  ))
      3.800     1.800     1.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.54913E-03 ppm1      8.055 ppm2      4.172 CV     1
 ASSI { 1339}
   (( segid "PROT" and resid 39   and name HN  ))
   (( segid "PROT" and resid 39   and name HG2 ))
      3.400     1.400     1.400 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.13910E-02 ppm1      7.996 ppm2      1.501 CV     1
 ASSI { 1340}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 84   and name HN  ))
      3.300     1.400     1.400 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      7.999 ppm2      8.250 CV     1
 ASSI { 1342}
   (( segid "PROT" and resid 40   and name HN  ))
   (( segid "PROT" and resid 39   and name HB2 ))
      3.800     1.800     1.800 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.67478E-03 ppm1      7.958 ppm2      1.851 CV     1
 ASSI { 1344}
   (( segid "PROT" and resid 43   and name HN  ))
   (( segid "PROT" and resid 44   and name HN  ))
      4.000     2.000     2.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.34508E-03 ppm1      8.324 ppm2      8.484 CV     1
 ASSI { 1347}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 44   and name HN  ))
      3.400     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.83136E-03 ppm1      8.579 ppm2      8.497 CV     1
 ASSI { 1348}
   (( segid "PROT" and resid 45   and name HN  ))
   (( segid "PROT" and resid 46   and name HN  ))
      3.600     1.700     1.700 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.50593E-03 ppm1      8.582 ppm2      8.417 CV     1
 ASSI { 1353}
   (( segid "PROT" and resid 49   and name HN  ))
   (( segid "PROT" and resid 50   and name HN  ))
      4.000     2.000     2.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.28969E-03 ppm1      8.325 ppm2      8.037 CV     1
 ASSI { 1356}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.48176E-02 ppm1      8.384 ppm2      8.250 CV     1
 ASSI { 1359}
   (( segid "PROT" and resid 53   and name HN  ))
   (( segid "PROT" and resid 49   and name HN  ))
      3.200     3.200     2.800 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.58623E-03 ppm1      8.074 ppm2      8.308 CV     1
 ASSI { 1360}
   (( segid "PROT" and resid 54   and name HN  ))
   (  segid "PROT" and resid 54   and name HG2%)
      2.800     2.800     3.200 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.24442E-02 ppm1      8.136 ppm2      0.917 CV     1
 ASSI { 1361}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      8.138 ppm2      8.051 CV     1
 ASSI { 1362}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 55   and name HN  ))
      3.100     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.90047E-03 ppm1      8.551 ppm2      8.272 CV     1
 ASSI { 1363}
   (( segid "PROT" and resid 56   and name HN  ))
   (( segid "PROT" and resid 54   and name HN  ))
      4.400     2.400     1.600 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.30852E-03 ppm1      8.551 ppm2      8.124 CV     1
 ASSI { 1365}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 64   and name HN  ))
      4.400     2.400     1.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.41004E-03 ppm1      8.738 ppm2      8.607 CV     1
 ASSI { 1368}
   (( segid "PROT" and resid 64   and name HN  ))
   (( segid "PROT" and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.74222E-02 ppm1      8.599 ppm2      4.246 CV     1
 ASSI { 1369}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 62   and name HB1 ))
      3.800     1.800     1.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.73292E-03 ppm1      7.977 ppm2      1.809 CV     1
 OR { 1369}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 62   and name HB2 ))
 ASSI { 1370}
   (( segid "PROT" and resid 65   and name HN  ))
   (( segid "PROT" and resid 66   and name HN  ))
      4.900     3.000     1.100 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.21141E-03 ppm1      7.987 ppm2      7.816 CV     1
 ASSI { 1371}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 66   and name HG  ))
      2.700     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.34571E-02 ppm1      7.825 ppm2      1.460 CV     1
 ASSI { 1373}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 62   and name HB1 ))
      5.300     3.500     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.17966E-03 ppm1      7.823 ppm2      1.793 CV     1
 OR { 1373}
   (( segid "PROT" and resid 66   and name HN  ))
   (( segid "PROT" and resid 62   and name HB2 ))
 ASSI { 1375}
   (( segid "PROT" and resid 67   and name HN  ))
   (  segid "PROT" and resid 67   and name HE% )
      5.800     4.200     0.200 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.13388E-03 ppm1      9.145 ppm2      6.759 CV     1
 ASSI { 1376}
   (( segid "PROT" and resid 67   and name HN  ))
   (  segid "PROT" and resid 67   and name HD% )
      3.000     1.100     1.100 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      9.146 ppm2      7.120 CV     1
 ASSI { 1378}
   (( segid "PROT" and resid 67   and name HN  ))
   (( segid "PROT" and resid 68   and name HN  ))
      4.800     2.800     1.200 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.29529E-03 ppm1      9.150 ppm2      8.077 CV     1
 ASSI { 1381}
   (( segid "PROT" and resid 74   and name HN  ))
   (  segid "PROT" and resid 71   and name HG1%)
      6.000     6.000     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.36788E-04 ppm1      7.135 ppm2      1.112 CV     1
 ASSI { 1382}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 76   and name HB2 ))
      4.100     2.100     1.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.43380E-03 ppm1      7.140 ppm2      2.037 CV     1
 ASSI { 1384}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.99699E-03 ppm1      8.831 ppm2      3.506 CV     1
 ASSI { 1389}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 90   and name HG2 ))
      6.000     5.800     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.38637E-04 ppm1      7.542 ppm2      0.701 CV     1
 ASSI { 1390}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 92   and name HG11))
      4.800     2.900     1.200 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.26288E-03 ppm1      7.537 ppm2      1.665 CV     1
 ASSI { 1391}
   (( segid "PROT" and resid 33   and name HN  ))
   (  segid "PROT" and resid 32   and name HB% )
      3.800     1.800     1.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.47267E-03 ppm1      7.520 ppm2      1.318 CV     1
 ASSI { 1392}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 89   and name HN  ))
      4.800     2.900     1.200 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.15124E-03 ppm1      7.542 ppm2      8.680 CV     1
 ASSI { 1394}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 95   and name HG2 ))
      3.300     1.400     1.400 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1      8.605 ppm2      2.249 CV     1
 ASSI { 1396}
   (( segid "PROT" and resid 104  and name HN  ))
   (( segid "PROT" and resid 104  and name HB  ))
      3.200     1.300     1.300 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.20959E-02 ppm1      8.230 ppm2      4.368 CV     1
 ASSI { 1397}
   (( segid "PROT" and resid 105  and name HN  ))
   (( segid "PROT" and resid 104  and name HN  ))
      2.000     0.500     0.500 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.12954E-01 ppm1      8.421 ppm2      8.236 CV     1
 ASSI { 1399}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 109  and name HB  ))
      3.900     1.900     1.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.76539E-03 ppm1      8.359 ppm2      1.944 CV     1
 ASSI { 1400}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 109  and name HN  ))
      4.200     2.200     1.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.42464E-03 ppm1      8.368 ppm2      8.229 CV     1
 ASSI { 1401}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 107  and name HB2 ))
      3.400     1.500     1.500 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.71155E-03 ppm1      7.818 ppm2      3.779 CV     1
 ASSI { 1402}
   (( segid "PROT" and resid 108  and name HN  ))
   (( segid "PROT" and resid 107  and name HA  ))
      3.400     1.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.10668E-02 ppm1      7.825 ppm2      4.217 CV     1
 ASSI { 1404}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 123  and name HN  ))
      3.900     1.900     1.900 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.89085E-03 ppm1      8.139 ppm2      7.367 CV     1
 ASSI { 1405}
   (( segid "PROT" and resid 82   and name HD22))
   (( segid "PROT" and resid 82   and name HB1 ))
      3.300     1.400     1.400 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.41957E-02 ppm1      7.414 ppm2      2.717 CV     1
 ASSI { 1407}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 105  and name HB1 ))
      3.900     1.900     1.900 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.37107E-03 ppm1      7.004 ppm2      2.613 CV     1
 ASSI { 1408}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 105  and name HB1 ))
      4.000     2.000     2.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.69775E-03 ppm1      7.677 ppm2      2.618 CV     1
 ASSI { 1409}
   (( segid "PROT" and resid 94   and name HD22))
   (( segid "PROT" and resid 94   and name HB1 ))
      4.200     2.200     1.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.84098E-03 ppm1      7.583 ppm2      3.187 CV     1
 ASSI { 1410}
   (( segid "PROT" and resid 94   and name HD21))
   (( segid "PROT" and resid 94   and name HB1 ))
      3.900     1.900     1.900 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.60164E-03 ppm1      7.005 ppm2      3.186 CV     1
 ASSI { 1411}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 108  and name HB1 ))
      3.700     1.700     1.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.19165E-02 ppm1      7.675 ppm2      3.035 CV     1
 ASSI { 1412}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 108  and name HB1 ))
      2.900     1.100     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.15486E-02 ppm1      7.005 ppm2      3.029 CV     1
 ASSI { 1413}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 108  and name HB2 ))
      3.600     1.600     1.600 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      7.677 ppm2      2.798 CV     1
 ASSI { 1414}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 108  and name HB2 ))
      3.300     1.400     1.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.78862E-03 ppm1      7.004 ppm2      2.802 CV     1
 ASSI { 1415}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 105  and name HB2 ))
      4.000     2.000     2.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.13020E-02 ppm1      7.676 ppm2      2.944 CV     1
 ASSI { 1419}
   (( segid "PROT" and resid 40   and name HD21))
   (( segid "PROT" and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.10763E-02 ppm1      6.886 ppm2      2.774 CV     1
 ASSI { 1420}
   (( segid "PROT" and resid 40   and name HD21))
   (( segid "PROT" and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.53236E-03 ppm1      6.884 ppm2      2.921 CV     1
 ASSI { 1421}
   (( segid "PROT" and resid 82   and name HD21))
   (( segid "PROT" and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.27154E-02 ppm1      6.923 ppm2      2.718 CV     1
 ASSI { 1422}
   (( segid "PROT" and resid 82   and name HD21))
   (( segid "PROT" and resid 82   and name HB2 ))
      3.400     1.500     1.500 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      6.923 ppm2      3.124 CV     1
 ASSI { 1424}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 111  and name HB2 ))
      2.500     0.800     0.800 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.71450E-02 ppm1      7.833 ppm2      2.856 CV     1
 OR { 1424}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 111  and name HB1 ))
 ASSI { 1425}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 48   and name HA1 ))
      4.700     2.800     1.300 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.14934E-03 ppm1      7.837 ppm2      3.983 CV     1
 ASSI { 1427}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 45   and name HA  ))
      4.300     2.300     1.700 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.28271E-03 ppm1      7.835 ppm2      4.260 CV     1
 ASSI { 1428}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 111  and name HA  ))
      4.000     2.000     2.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.14714E-03 ppm1      7.840 ppm2      4.463 CV     1
 ASSI { 1429}
   (( segid "PROT" and resid 36   and name HE21))
   (( segid "PROT" and resid 36   and name HG1 ))
      3.700     1.700     1.700 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.72278E-03 ppm1      6.815 ppm2      2.353 CV     1
 OR { 1429}
   (( segid "PROT" and resid 36   and name HE21))
   (( segid "PROT" and resid 36   and name HG2 ))
 OR { 1429}
   (( segid "PROT" and resid 36   and name HE22))
   (( segid "PROT" and resid 36   and name HG2 ))
 ASSI { 1430}
   (( segid "PROT" and resid 46   and name HE21))
   (( segid "PROT" and resid 46   and name HG2 ))
      3.700     1.700     1.700 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.47463E-03 ppm1      6.809 ppm2      2.462 CV     1
 OR { 1430}
   (( segid "PROT" and resid 46   and name HE21))
   (( segid "PROT" and resid 46   and name HG1 ))
 ASSI { 1431}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 103  and name HG1 ))
      4.500     2.500     1.500 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.14402E-03 ppm1      7.001 ppm2      2.174 CV     1
 OR { 1431}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI { 1440}
   (( segid "PROT" and resid 3    and name HE22))
   (( segid "PROT" and resid 3    and name HB1 ))
      4.600     2.600     1.400 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.44884E-03 ppm1      7.066 ppm2      1.877 CV     1
 OR { 1440}
   (( segid "PROT" and resid 3    and name HE22))
   (( segid "PROT" and resid 3    and name HB2 ))
 ASSI { 1441}
   (( segid "PROT" and resid 3    and name HE22))
   (( segid "PROT" and resid 3    and name HG1 ))
      4.900     3.000     1.100 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.33513E-03 ppm1      7.059 ppm2      1.965 CV     1
 OR { 1441}
   (( segid "PROT" and resid 3    and name HE22))
   (( segid "PROT" and resid 3    and name HG2 ))
 ASSI { 1442}
   (( segid "PROT" and resid 3    and name HE21))
   (( segid "PROT" and resid 3    and name HB1 ))
      4.000     2.000     2.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.53945E-03 ppm1      6.726 ppm2      1.875 CV     1
 OR { 1442}
   (( segid "PROT" and resid 3    and name HE21))
   (( segid "PROT" and resid 3    and name HB2 ))
 ASSI { 1443}
   (( segid "PROT" and resid 3    and name HE21))
   (( segid "PROT" and resid 3    and name HG1 ))
      4.600     2.600     1.400 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12793E-03 ppm1      6.727 ppm2      1.968 CV     1
 OR { 1443}
   (( segid "PROT" and resid 3    and name HE21))
   (( segid "PROT" and resid 3    and name HG2 ))
 ASSI { 1444}
   (( segid "PROT" and resid 3    and name HE22))
   (( segid "PROT" and resid 3    and name HE21))
      1.700     0.400     0.500 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.24173E-01 ppm1      7.062 ppm2      6.729 CV     1
 ASSI { 1446}
   (( segid "PROT" and resid 99   and name HD21))
   (( segid "PROT" and resid 99   and name HB1 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.12157E-02 ppm1      7.104 ppm2      2.829 CV     1
 ASSI { 1447}
   (( segid "PROT" and resid 3    and name HN  ))
   (( segid "PROT" and resid 5    and name HN  ))
      6.000     5.000     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.50974E-04 ppm1      8.816 ppm2      7.715 CV     1
 ASSI { 1448}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 13   and name HN  ))
      6.000     4.900     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.39859E-04 ppm1      8.298 ppm2      7.798 CV     1
 ASSI { 1449}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 6    and name HN  ))
      4.500     2.500     1.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.24370E-03 ppm1      8.513 ppm2      7.932 CV     1
 ASSI { 1451}
   (( segid "PROT" and resid 9    and name HN  ))
   (( segid "PROT" and resid 8    and name HN  ))
      2.900     1.100     1.100 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.17905E-02 ppm1      7.793 ppm2      7.712 CV     1
 ASSI { 1452}
   (( segid "PROT" and resid 11   and name HN  ))
   (( segid "PROT" and resid 7    and name HN  ))
      3.400     3.400     2.600 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.38264E-03 ppm1      8.562 ppm2      8.474 CV     1
 ASSI { 1454}
   (( segid "PROT" and resid 25   and name HN  ))
   (( segid "PROT" and resid 27   and name HN  ))
      6.000     4.900     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.45362E-04 ppm1      7.638 ppm2      8.470 CV     1
 ASSI { 1455}
   (( segid "PROT" and resid 26   and name HN  ))
   (( segid "PROT" and resid 24   and name HN  ))
      5.900     4.300     0.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.58725E-04 ppm1      7.748 ppm2      8.040 CV     1
 ASSI { 1456}
   (( segid "PROT" and resid 33   and name HN  ))
   (( segid "PROT" and resid 32   and name HN  ))
      4.300     2.300     1.700 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.21168E-03 ppm1      7.529 ppm2      8.037 CV     1
 ASSI { 1459}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 56   and name HN  ))
      6.000     4.900     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.34990E-04 ppm1      7.803 ppm2      8.554 CV     1
 ASSI { 1460}
   (( segid "PROT" and resid 59   and name HN  ))
   (( segid "PROT" and resid 56   and name HN  ))
      5.300     3.500     0.700 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.10971E-03 ppm1      7.495 ppm2      8.545 CV     1
 ASSI { 1464}
   (( segid "PROT" and resid 68   and name HN  ))
   (( segid "PROT" and resid 71   and name HN  ))
      6.000     6.000     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.34786E-04 ppm1      8.080 ppm2      7.441 CV     1
 ASSI { 1465}
   (( segid "PROT" and resid 71   and name HN  ))
   (( segid "PROT" and resid 69   and name HN  ))
      6.000     4.600     0.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.39144E-04 ppm1      7.449 ppm2      8.917 CV     1
 ASSI { 1466}
   (( segid "PROT" and resid 71   and name HN  ))
   (  segid "PROT" and resid 72   and name HD% )
      4.100     2.100     1.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.68485E-03 ppm1      7.458 ppm2      7.039 CV     1
 ASSI { 1468}
   (( segid "PROT" and resid 98   and name HN  ))
   (  segid "PROT" and resid 113  and name HE% )
      5.400     3.600     0.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.13065E-03 ppm1      7.455 ppm2      6.570 CV     1
 ASSI { 1469}
   (( segid "PROT" and resid 74   and name HN  ))
   (  segid "PROT" and resid 13   and name HE% )
      4.300     2.300     1.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.64904E-03 ppm1      7.138 ppm2      6.827 CV     1
 ASSI { 1471}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 80   and name HN  ))
      5.000     3.100     1.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.17468E-03 ppm1      7.245 ppm2      6.544 CV     1
 ASSI { 1472}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 13   and name HE% )
      4.300     2.300     1.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.47847E-03 ppm1      7.248 ppm2      6.826 CV     1
 ASSI { 1473}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 79   and name HD2 ))
      5.400     3.700     0.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.12688E-03 ppm1      7.241 ppm2      6.905 CV     1
 ASSI { 1475}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 13   and name HD% )
      4.300     2.300     1.700 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.46827E-03 ppm1      7.248 ppm2      7.044 CV     1
 ASSI { 1476}
   (( segid "PROT" and resid 77   and name HN  ))
   (( segid "PROT" and resid 74   and name HN  ))
      2.900     2.900     3.100 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      7.244 ppm2      7.128 CV     1
 ASSI { 1479}
   (( segid "PROT" and resid 78   and name HN  ))
   (  segid "PROT" and resid 13   and name HE% )
      6.000     4.600     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.45952E-04 ppm1      8.660 ppm2      6.822 CV     1
 ASSI { 1481}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 73   and name HN  ))
      5.000     3.100     1.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.13425E-03 ppm1      8.831 ppm2      7.810 CV     1
 ASSI { 1483}
   (( segid "PROT" and resid 82   and name HN  ))
   (( segid "PROT" and resid 80   and name HN  ))
      5.200     3.300     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.32871E-04 ppm1      7.606 ppm2      6.531 CV     1
 ASSI { 1484}
   (( segid "PROT" and resid 65   and name HN  ))
   (  segid "PROT" and resid 67   and name HE% )
      5.700     4.100     0.300 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.12292E-03 ppm1      7.979 ppm2      6.761 CV     1
 ASSI { 1486}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 82   and name HD22))
      5.000     3.100     1.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.41106E-04 ppm1      7.947 ppm2      7.411 CV     1
 ASSI { 1487}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 88   and name HN  ))
      6.000     4.600     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.62969E-04 ppm1      8.269 ppm2      7.860 CV     1
 ASSI { 1488}
   (( segid "PROT" and resid 88   and name HN  ))
   (( segid "PROT" and resid 90   and name HN  ))
      4.300     2.300     1.700 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.24166E-03 ppm1      7.865 ppm2      8.509 CV     1
 ASSI { 1490}
   (( segid "PROT" and resid 91   and name HN  ))
   (( segid "PROT" and resid 94   and name HN  ))
      5.300     3.500     0.700 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.13103E-03 ppm1      7.541 ppm2      7.991 CV     1
 ASSI { 1492}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 95   and name HN  ))
      4.900     3.000     1.100 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.22665E-03 ppm1      8.753 ppm2      8.616 CV     1
 ASSI { 1496}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 99   and name HN  ))
      5.600     3.900     0.400 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.80023E-04 ppm1      8.551 ppm2      7.692 CV     1
 ASSI { 1498}
   (( segid "PROT" and resid 96   and name HN  ))
   (  segid "PROT" and resid 113  and name HD% )
      6.000     6.000     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.40329E-04 ppm1      8.539 ppm2      6.713 CV     1
 ASSI { 1499}
   (( segid "PROT" and resid 100  and name HN  ))
   (  segid "PROT" and resid 113  and name HD% )
      4.500     2.500     1.500 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.36726E-03 ppm1      7.523 ppm2      6.708 CV     1
 ASSI { 1501}
   (( segid "PROT" and resid 99   and name HN  ))
   (( segid "PROT" and resid 99   and name HD21))
      4.900     3.000     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.19840E-03 ppm1      7.682 ppm2      7.105 CV     1
 ASSI { 1502}
   (( segid "PROT" and resid 101  and name HN  ))
   (( segid "PROT" and resid 99   and name HD21))
      5.500     3.800     0.500 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.12666E-03 ppm1      7.328 ppm2      7.101 CV     1
 ASSI { 1503}
   (( segid "PROT" and resid 100  and name HN  ))
   (  segid "PROT" and resid 113  and name HE% )
      6.000     5.600     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.32522E-04 ppm1      7.528 ppm2      6.571 CV     1
 ASSI { 1506}
   (( segid "PROT" and resid 106  and name HN  ))
   (( segid "PROT" and resid 108  and name HN  ))
      5.800     4.200     0.200 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.49159E-04 ppm1      9.177 ppm2      7.833 CV     1
 ASSI { 1507}
   (( segid "PROT" and resid 107  and name HN  ))
   (( segid "PROT" and resid 111  and name HN  ))
      5.500     3.700     0.500 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.11224E-03 ppm1      8.368 ppm2      7.503 CV     1
 ASSI { 1508}
   (( segid "PROT" and resid 13   and name HN  ))
   (  segid "PROT" and resid 10   and name HD% )
      6.000     5.400     0.000 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.37908E-04 ppm1      7.785 ppm2      7.292 CV     1
 ASSI { 1510}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 108  and name HN  ))
      5.400     3.600     0.600 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.10773E-03 ppm1      8.111 ppm2      7.835 CV     1
 ASSI { 1511}
   (( segid "PROT" and resid 113  and name HN  ))
   (( segid "PROT" and resid 116  and name HN  ))
      6.000     4.800     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.35790E-04 ppm1      8.843 ppm2      6.998 CV     1
 ASSI { 1512}
   (( segid "PROT" and resid 111  and name HN  ))
   (( segid "PROT" and resid 113  and name HN  ))
      4.100     2.100     1.900 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.45631E-03 ppm1      7.520 ppm2      8.870 CV     1
 ASSI { 1514}
   (( segid "PROT" and resid 118  and name HN  ))
   (( segid "PROT" and resid 121  and name HN  ))
      4.900     3.100     1.100 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.15116E-03 ppm1      8.452 ppm2      8.166 CV     1
 ASSI { 1516}
   (( segid "PROT" and resid 121  and name HN  ))
   (( segid "PROT" and resid 119  and name HN  ))
      4.700     2.700     1.300 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.21855E-03 ppm1      8.144 ppm2      7.886 CV     1
 ASSI { 1517}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 123  and name HN  ))
      6.000     6.000     0.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.39538E-04 ppm1      7.800 ppm2      7.367 CV     1
 ASSI { 1520}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 3    and name HB2 ))
      2.500     0.800     0.800 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.72438E-02 ppm1      8.513 ppm2      1.876 CV     1
 OR { 1520}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 3    and name HB1 ))
 ASSI { 1521}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 3    and name HB2 ))
      5.100     3.300     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.33994E-04 ppm1      7.701 ppm2      1.891 CV     1
 OR { 1521}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 3    and name HB1 ))
 ASSI { 1522}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 7    and name HB  ))
      6.000     5.400     0.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.36270E-04 ppm1      7.695 ppm2      2.245 CV     1
 ASSI { 1525}
   (( segid "PROT" and resid 6    and name HN  ))
   (( segid "PROT" and resid 5    and name HA  ))
      2.600     0.800     0.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.51757E-02 ppm1      7.943 ppm2      4.275 CV     1
 ASSI { 1528}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 5    and name HA  ))
      5.000     3.100     1.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.14084E-03 ppm1      8.296 ppm2      4.271 CV     1
 ASSI { 1529}
   (( segid "PROT" and resid 79   and name HN  ))
   (( segid "PROT" and resid 76   and name HA  ))
      4.600     2.700     1.400 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.13886E-03 ppm1      8.293 ppm2      3.748 CV     1
 ASSI { 1530}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 16   and name HA  ))
      3.700     1.700     1.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.64513E-03 ppm1      8.414 ppm2      4.377 CV     1
 ASSI { 1531}
   (( segid "PROT" and resid 38   and name HN  ))
   (( segid "PROT" and resid 41   and name HA1 ))
      4.700     2.800     1.300 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.21663E-03 ppm1      8.062 ppm2      3.922 CV     1
 ASSI { 1533}
   (( segid "PROT" and resid 40   and name HN  ))
   (( segid "PROT" and resid 41   and name HN  ))
      3.000     1.100     1.100 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.14726E-02 ppm1      7.957 ppm2      8.094 CV     1
 ASSI { 1536}
   (( segid "PROT" and resid 111  and name HD21))
   (( segid "PROT" and resid 48   and name HA2 ))
      6.000     5.800     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.34306E-04 ppm1      7.840 ppm2      3.679 CV     1
 ASSI { 1538}
   (( segid "PROT" and resid 94   and name HD21))
   (( segid "PROT" and resid 91   and name HA2 ))
      4.100     2.100     1.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.21352E-03 ppm1      6.997 ppm2      3.968 CV     1
 ASSI { 1540}
   (( segid "PROT" and resid 94   and name HD22))
   (( segid "PROT" and resid 91   and name HA2 ))
      4.900     3.000     1.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.42365E-04 ppm1      7.585 ppm2      3.944 CV     1
 OR { 1540}
   (( segid "PROT" and resid 94   and name HD22))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI { 1541}
   (( segid "PROT" and resid 99   and name HD21))
   (( segid "PROT" and resid 99   and name HA  ))
      5.500     3.800     0.500 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.11873E-03 ppm1      7.105 ppm2      4.533 CV     1
 ASSI { 1543}
   (( segid "PROT" and resid 34   and name HD21))
   (( segid "PROT" and resid 34   and name HA  ))
      6.000     4.800     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.36313E-04 ppm1      7.502 ppm2      4.795 CV     1
 ASSI { 1544}
   (( segid "PROT" and resid 9    and name HN  ))
   (  segid "PROT" and resid 7    and name HG1%)
      5.600     3.900     0.400 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.10627E-03 ppm1      7.788 ppm2      1.033 CV     1
 ASSI { 1545}
   (( segid "PROT" and resid 12   and name HN  ))
   (( segid "PROT" and resid 13   and name HB1 ))
      6.000     5.800     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.36414E-04 ppm1      8.157 ppm2      3.253 CV     1
 ASSI { 1546}
   (( segid "PROT" and resid 15   and name HN  ))
   (( segid "PROT" and resid 14   and name HB1 ))
      5.300     3.600     0.700 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.10275E-03 ppm1      8.307 ppm2      1.596 CV     1
 ASSI { 1547}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 120  and name HG1 ))
      2.700     0.900     0.900 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.34483E-02 ppm1      7.794 ppm2      1.506 CV     1
 OR { 1547}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI { 1548}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 92   and name HG12))
      5.400     3.700     0.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.18440E-03 ppm1      7.808 ppm2      0.815 CV     1
 ASSI { 1549}
   (( segid "PROT" and resid 26   and name HN  ))
   (  segid "PROT" and resid 50   and name HD2%)
      5.900     4.300     0.100 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.36953E-04 ppm1      7.752 ppm2      0.753 CV     1
 ASSI { 1551}
   (( segid "PROT" and resid 30   and name HN  ))
   (( segid "PROT" and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.23806E-02 ppm1      8.315 ppm2      2.691 CV     1
 ASSI { 1552}
   (( segid "PROT" and resid 31   and name HN  ))
   (  segid "PROT" and resid 31   and name HD1%)
      3.900     1.900     1.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.10780E-02 ppm1      7.480 ppm2      0.849 CV     1
 OR { 1552}
   (( segid "PROT" and resid 31   and name HN  ))
   (  segid "PROT" and resid 31   and name HG2%)
 ASSI { 1553}
   (( segid "PROT" and resid 31   and name HN  ))
   (( segid "PROT" and resid 31   and name HB  ))
      2.700     0.900     0.900 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.21245E-02 ppm1      7.473 ppm2      1.915 CV     1
 ASSI { 1556}
   (( segid "PROT" and resid 33   and name HN  ))
   (( segid "PROT" and resid 33   and name HA  ))
      3.900     1.900     1.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.42140E-03 ppm1      7.520 ppm2      4.258 CV     1
 ASSI { 1558}
   (( segid "PROT" and resid 35   and name HN  ))
   (( segid "PROT" and resid 33   and name HA  ))
      5.000     3.100     1.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.41394E-04 ppm1      8.325 ppm2      4.267 CV     1
 ASSI { 1559}
   (( segid "PROT" and resid 37   and name HN  ))
   (( segid "PROT" and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.28137E-02 ppm1      7.816 ppm2      2.135 CV     1
 ASSI { 1563}
   (( segid "PROT" and resid 41   and name HN  ))
   (( segid "PROT" and resid 40   and name HB2 ))
      6.000     5.400     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.38445E-04 ppm1      8.107 ppm2      2.764 CV     1
 ASSI { 1565}
   (( segid "PROT" and resid 44   and name HN  ))
   (( segid "PROT" and resid 43   and name HB1 ))
      5.800     4.200     0.200 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.38407E-04 ppm1      8.497 ppm2      2.815 CV     1
 ASSI { 1567}
   (( segid "PROT" and resid 84   and name HN  ))
   (( segid "PROT" and resid 82   and name HB2 ))
      6.000     5.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.53862E-04 ppm1      8.259 ppm2      3.128 CV     1
 ASSI { 1569}
   (( segid "PROT" and resid 49   and name HN  ))
   (( segid "PROT" and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      8.337 ppm2      3.050 CV     1
 ASSI { 1572}
   (( segid "PROT" and resid 55   and name HN  ))
   (  segid "PROT" and resid 54   and name HG1%)
      6.000     4.800     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.38476E-04 ppm1      8.256 ppm2      0.999 CV     1
 ASSI { 1574}
   (( segid "PROT" and resid 109  and name HN  ))
   (( segid "PROT" and resid 105  and name HB1 ))
      5.900     4.400     0.100 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.47590E-04 ppm1      8.203 ppm2      2.622 CV     1
 ASSI { 1578}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 65   and name HB2 ))
      5.500     3.800     0.500 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.11749E-03 ppm1      6.677 ppm2      2.150 CV     1
 ASSI { 1580}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HD1 ))
      4.900     3.000     1.100 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.26099E-03 ppm1      8.740 ppm2      1.544 CV     1
 OR { 1580}
   (( segid "PROT" and resid 62   and name HN  ))
   (( segid "PROT" and resid 62   and name HD2 ))
 ASSI { 1581}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 62   and name HE1 ))
      5.600     4.000     0.400 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.41640E-04 ppm1      6.677 ppm2      2.690 CV     1
 OR { 1581}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 62   and name HE2 ))
 ASSI { 1584}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HD1 ))
      4.100     2.100     1.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.77091E-03 ppm1      7.803 ppm2      1.757 CV     1
 OR { 1584}
   (( segid "PROT" and resid 73   and name HN  ))
   (( segid "PROT" and resid 73   and name HD2 ))
 ASSI { 1588}
   (( segid "PROT" and resid 120  and name HN  ))
   (( segid "PROT" and resid 117  and name HA  ))
      3.500     1.500     1.500 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.83027E-03 ppm1      7.795 ppm2      3.514 CV     1
 ASSI { 1590}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 71   and name HB  ))
      6.000     4.700     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.66470E-04 ppm1      7.140 ppm2      2.372 CV     1
 ASSI { 1591}
   (( segid "PROT" and resid 74   and name HN  ))
   (( segid "PROT" and resid 75   and name HA  ))
      5.500     3.700     0.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.16381E-03 ppm1      7.138 ppm2      3.601 CV     1
 ASSI { 1594}
   (( segid "PROT" and resid 76   and name HN  ))
   (( segid "PROT" and resid 77   and name HA  ))
      6.000     5.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.53087E-04 ppm1      7.977 ppm2      3.942 CV     1
 ASSI { 1595}
   (( segid "PROT" and resid 77   and name HN  ))
   (  segid "PROT" and resid 78   and name HG2%)
      3.900     1.900     1.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.13077E-02 ppm1      7.245 ppm2      0.323 CV     1
 ASSI { 1597}
   (( segid "PROT" and resid 80   and name HN  ))
   (( segid "PROT" and resid 77   and name HA  ))
      3.600     1.600     1.600 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.80274E-03 ppm1      6.534 ppm2      3.924 CV     1
 ASSI { 1601}
   (( segid "PROT" and resid 85   and name HN  ))
   (  segid "PROT" and resid 86   and name HD1%)
      4.600     2.600     1.400 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.48432E-03 ppm1      7.950 ppm2      0.841 CV     1
 ASSI { 1602}
   (( segid "PROT" and resid 85   and name HN  ))
   (( segid "PROT" and resid 79   and name HB2 ))
      6.000     6.000     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.36503E-04 ppm1      7.954 ppm2      3.368 CV     1
 ASSI { 1603}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 90   and name HD2 ))
      3.200     3.200     2.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.29473E-02 ppm1      7.998 ppm2      0.787 CV     1
 ASSI { 1604}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 84   and name HB2 ))
      3.700     1.800     1.800 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.57124E-03 ppm1      7.999 ppm2      2.785 CV     1
 ASSI { 1608}
   (( segid "PROT" and resid 90   and name HN  ))
   (( segid "PROT" and resid 88   and name HA  ))
      4.700     2.800     1.300 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.14122E-03 ppm1      8.490 ppm2      4.035 CV     1
 ASSI { 1609}
   (( segid "PROT" and resid 92   and name HN  ))
   (  segid "PROT" and resid 89   and name HG2%)
      4.300     2.300     1.700 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.76391E-03 ppm1      7.598 ppm2      0.430 CV     1
 ASSI { 1611}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 90   and name HB2 ))
      5.000     3.200     1.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.37314E-04 ppm1      8.755 ppm2      1.460 CV     1
 ASSI { 1612}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      6.000     6.000     0.000 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.39813E-04 ppm1      8.760 ppm2      1.547 CV     1
 OR { 1612}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 120  and name HD1 ))
 OR { 1612}
   (( segid "PROT" and resid 93   and name HN  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 ASSI { 1613}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 90   and name HD2 ))
      6.000     4.900     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.41262E-04 ppm1      8.832 ppm2      0.797 CV     1
 ASSI { 1616}
   (( segid "PROT" and resid 75   and name HN  ))
   (( segid "PROT" and resid 73   and name HA  ))
      5.900     4.400     0.100 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.38526E-04 ppm1      8.829 ppm2      4.033 CV     1
 ASSI { 1617}
   (( segid "PROT" and resid 94   and name HN  ))
   (  segid "PROT" and resid 92   and name HG2%)
      6.000     5.200     0.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.37607E-04 ppm1      7.983 ppm2      0.492 CV     1
 OR { 1617}
   (( segid "PROT" and resid 94   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI { 1618}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 120  and name HD1 ))
      5.200     3.400     0.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.11547E-03 ppm1      8.545 ppm2      1.572 CV     1
 OR { 1618}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 OR { 1618}
   (( segid "PROT" and resid 96   and name HN  ))
   (( segid "PROT" and resid 120  and name HB2 ))
 ASSI { 1619}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 92   and name HB  ))
      6.000     4.900     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.41929E-04 ppm1      8.605 ppm2      1.832 CV     1
 ASSI { 1621}
   (( segid "PROT" and resid 94   and name HN  ))
   (( segid "PROT" and resid 95   and name HB2 ))
      6.000     5.800     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.45731E-04 ppm1      7.992 ppm2      2.184 CV     1
 ASSI { 1625}
   (( segid "PROT" and resid 97   and name HN  ))
   (( segid "PROT" and resid 96   and name HB1 ))
      6.000     5.100     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.39894E-04 ppm1      7.917 ppm2      2.584 CV     1
 ASSI { 1632}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 109  and name HG12))
      6.000     6.000     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.37366E-04 ppm1      8.114 ppm2      0.908 CV     1
 ASSI { 1633}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 109  and name HA  ))
      5.000     3.100     1.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.10360E-03 ppm1      8.106 ppm2      3.438 CV     1
 ASSI { 1634}
   (( segid "PROT" and resid 110  and name HN  ))
   (( segid "PROT" and resid 108  and name HA  ))
      6.000     5.100     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.29518E-04 ppm1      8.115 ppm2      4.666 CV     1
 ASSI { 1635}
   (( segid "PROT" and resid 113  and name HN  ))
   (  segid "PROT" and resid 114  and name HG2%)
      6.000     5.900     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.29693E-04 ppm1      8.852 ppm2      1.300 CV     1
 ASSI { 1636}
   (( segid "PROT" and resid 114  and name HN  ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.500     2.600     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.23557E-03 ppm1      7.440 ppm2      3.911 CV     1
 ASSI { 1639}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.300     2.300     1.700 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.20486E-03 ppm1      7.957 ppm2      3.921 CV     1
 ASSI { 1641}
   (( segid "PROT" and resid 119  and name HN  ))
   (( segid "PROT" and resid 118  and name HG12))
      6.000     4.600     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.90253E-04 ppm1      7.856 ppm2      1.354 CV     1
 ASSI { 1644}
   (( segid "PROT" and resid 123  and name HN  ))
   (( segid "PROT" and resid 121  and name HA  ))
      5.200     3.400     0.800 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.12448E-03 ppm1      7.347 ppm2      3.742 CV     1
 ASSI { 1646}
   (( segid "PROT" and resid 40   and name HD22))
   (( segid "PROT" and resid 40   and name HB2 ))
      4.700     2.800     1.300 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.37754E-03 ppm1      7.572 ppm2      2.790 CV     1
 ASSI { 1650}
   (( segid "PROT" and resid 82   and name HD21))
   (( segid "PROT" and resid 82   and name HA  ))
      4.100     2.100     1.900 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.45625E-03 ppm1      6.923 ppm2      4.991 CV     1
 ASSI { 1652}
   (( segid "PROT" and resid 82   and name HD21))
   (( segid "PROT" and resid 85   and name HN  ))
      5.100     3.200     0.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.20441E-03 ppm1      6.926 ppm2      7.953 CV     1
 ASSI { 1653}
   (( segid "PROT" and resid 95   and name HN  ))
   (( segid "PROT" and resid 94   and name HD21))
      5.400     3.700     0.600 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.10542E-03 ppm1      8.601 ppm2      7.019 CV     1
 ASSI { 1655}
   (( segid "PROT" and resid 6    and name HN  ))
   (  segid "PROT" and resid 1    and name HD1%)
      5.000     3.100     1.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.13304E-03 ppm1      7.949 ppm2      0.831 CV     1
 ASSI { 1657}
   (( segid "PROT" and resid 78   and name HN  ))
   (  segid "PROT" and resid 13   and name HD% )
      6.000     5.300     0.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.32058E-04 ppm1      8.657 ppm2      7.026 CV     1
 ASSI { 1658}
   (( segid "PROT" and resid 11   and name HN  ))
   (  segid "PROT" and resid 10   and name HD% )
      5.900     4.300     0.100 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.98890E-04 ppm1      8.572 ppm2      7.288 CV     1
 ASSI { 1660}
   (( segid "PROT" and resid 48   and name HN  ))
   (  segid "PROT" and resid 47   and name HD2%)
      5.600     4.000     0.400 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.95861E-04 ppm1      8.298 ppm2      0.849 CV     1
 ASSI { 1661}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 103  and name HG1 ))
      5.000     3.100     1.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.10880E-03 ppm1      7.679 ppm2      2.173 CV     1
 ASSI { 1662}
   (( segid "PROT" and resid 108  and name HD21))
   (( segid "PROT" and resid 103  and name HB1 ))
      5.600     3.900     0.400 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.33788E-04 ppm1      7.000 ppm2      2.078 CV     1
 ASSI { 1666}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 112  and name HB2 ))
      4.600     2.700     1.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.26148E-03 ppm1      7.417 ppm2      1.734 CV     1
 OR { 1666}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 112  and name HD1 ))
 OR { 1666}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 112  and name HD2 ))
 ASSI { 1667}
   (( segid "PROT" and resid 99   and name HD21))
   (( segid "PROT" and resid 112  and name HB2 ))
      6.000     6.000     0.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.41286E-04 ppm1      7.098 ppm2      1.756 CV     1
 OR { 1667}
   (( segid "PROT" and resid 99   and name HD21))
   (( segid "PROT" and resid 112  and name HD2 ))
 ASSI { 1669}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 96   and name HB2 ))
      6.000     6.000     0.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.35927E-04 ppm1      7.412 ppm2      2.429 CV     1
 ASSI { 1671}
   (( segid "PROT" and resid 111  and name HD22))
   (( segid "PROT" and resid 111  and name HD21))
      2.100     0.600     0.600 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.45903E-02 ppm1      7.127 ppm2      7.840 CV     1
 ASSI { 1674}
   (( segid "PROT" and resid 111  and name HD22))
   (( segid "PROT" and resid 45   and name HA  ))
      4.600     2.600     1.400 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.19323E-03 ppm1      7.124 ppm2      4.265 CV     1
 ASSI { 1675}
   (( segid "PROT" and resid 5    and name HN  ))
   (( segid "PROT" and resid 6    and name HB  ))
      4.700     2.800     1.300 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.44578E-03 ppm1      7.695 ppm2      2.342 CV     1
 ASSI { 1679}
   (( segid "PROT" and resid 7    and name HN  ))
   (( segid "PROT" and resid 122  and name HZ  ))
      5.300     3.500     0.700 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.12816E-03 ppm1      8.488 ppm2      7.120 CV     1
 ASSI { 1680}
   (( segid "PROT" and resid 90   and name HN  ))
   (  segid "PROT" and resid 72   and name HD% )
      4.900     3.000     1.100 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.34220E-03 ppm1      8.497 ppm2      7.046 CV     1
 ASSI { 1681}
   (( segid "PROT" and resid 4    and name HN  ))
   (  segid "PROT" and resid 122  and name HE% )
      6.000     4.800     0.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.46573E-04 ppm1      8.512 ppm2      7.148 CV     1
 OR { 1681}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 122  and name HZ  ))
 ASSI { 1682}
   (( segid "PROT" and resid 4    and name HN  ))
   (( segid "PROT" and resid 3    and name HE22))
      5.000     3.200     1.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.37504E-04 ppm1      8.512 ppm2      7.087 CV     1
 ASSI { 1684}
   (( segid "PROT" and resid 105  and name HN  ))
   (  segid "PROT" and resid 109  and name HD1%)
      5.600     3.900     0.400 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.64628E-04 ppm1      8.416 ppm2      0.748 CV     1
 ASSI { 1688}
   (( segid "PROT" and resid 108  and name HD22))
   (( segid "PROT" and resid 108  and name HD21))
      1.700     0.400     0.500 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.23927E-01 ppm1      7.677 ppm2      7.007 CV     1
 ASSI { 1689}
   (( segid "PROT" and resid 94   and name HD22))
   (( segid "PROT" and resid 94   and name HD21))
      1.800     0.400     0.400 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.17221E-01 ppm1      7.583 ppm2      7.012 CV     1
 ASSI { 1690}
   (( segid "PROT" and resid 99   and name HD22))
   (( segid "PROT" and resid 99   and name HD21))
      1.500     0.300     0.700 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.50420E-01 ppm1      7.416 ppm2      7.107 CV     1
 ASSI { 1691}
   (( segid "PROT" and resid 46   and name HE22))
   (( segid "PROT" and resid 46   and name HE21))
      1.600     0.300     0.600 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.28124E-01 ppm1      7.416 ppm2      6.803 CV     1
 ASSI { 1693}
   (( segid "PROT" and resid 42   and name HN  ))
   (  segid "PROT" and resid 47   and name HD1%)
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.893 ppm2      0.946 CV     1
 ASSI { 1694}
   (( segid "PROT" and resid 52   and name HN  ))
   (( segid "PROT" and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.384 ppm2      8.138 CV     1
# Unambiguous restraints calibrated and assigned using by Aria from 13C-NOESY-HSQC experiment
 ASSI {    2}
   (( segid "PROT" and resid 5    and name HB  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      3.400     1.400     1.400 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10867E-02 ppm1      4.291 ppm2      2.928 CV     1
 ASSI {    3}
   (( segid "PROT" and resid 5    and name HB  ))
   (( segid "PROT" and resid 2    and name HB1 ))
      4.900     3.000     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.14429E-03 ppm1      4.293 ppm2      2.708 CV     1
 ASSI {    6}
   (( segid "PROT" and resid 104  and name HB  ))
   (  segid "PROT" and resid 104  and name HG2%)
      2.700     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.34173E-02 ppm1      4.377 ppm2      1.208 CV     1
 ASSI {   10}
   (( segid "PROT" and resid 64   and name HB  ))
   (( segid "PROT" and resid 64   and name HA  ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.32893E-02 ppm1      4.586 ppm2      4.256 CV     1
 ASSI {   12}
   (( segid "PROT" and resid 64   and name HB  ))
   (  segid "PROT" and resid 109  and name HD1%)
      3.000     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.13390E-02 ppm1      4.589 ppm2      0.752 CV     1
 ASSI {   13}
   (( segid "PROT" and resid 114  and name HB  ))
   (( segid "PROT" and resid 52   and name HA  ))
      3.400     3.400     2.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.35044E-03 ppm1      4.325 ppm2      4.109 CV     1
 ASSI {   15}
   (( segid "PROT" and resid 114  and name HB  ))
   (( segid "PROT" and resid 114  and name HA  ))
      3.600     1.700     1.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.44836E-03 ppm1      4.318 ppm2      3.690 CV     1
 ASSI {   16}
   (( segid "PROT" and resid 7    and name HA  ))
   (( segid "PROT" and resid 10   and name HB2 ))
      3.300     1.300     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.73728E-03 ppm1      3.782 ppm2      3.284 CV     1
 ASSI {   17}
   (( segid "PROT" and resid 7    and name HA  ))
   (( segid "PROT" and resid 10   and name HB1 ))
      6.000     6.000     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13228E-04 ppm1      3.774 ppm2      2.962 CV     1
 ASSI {   18}
   (( segid "PROT" and resid 7    and name HA  ))
   (( segid "PROT" and resid 7    and name HB  ))
      3.300     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10055E-02 ppm1      3.769 ppm2      2.216 CV     1
 ASSI {   20}
   (( segid "PROT" and resid 114  and name HB  ))
   (( segid "PROT" and resid 51   and name HB1 ))
      4.600     2.600     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.69865E-04 ppm1      4.331 ppm2      1.796 CV     1
 ASSI {   21}
   (( segid "PROT" and resid 114  and name HB  ))
   (  segid "PROT" and resid 114  and name HG2%)
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.25969E-02 ppm1      4.308 ppm2      1.327 CV     1
 ASSI {   23}
   (( segid "PROT" and resid 7    and name HA  ))
   (  segid "PROT" and resid 7    and name HG1%)
      3.000     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.18690E-02 ppm1      3.770 ppm2      1.049 CV     1
 ASSI {   24}
   (( segid "PROT" and resid 54   and name HA  ))
   (( segid "PROT" and resid 17   and name HB1 ))
      4.200     2.200     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.28852E-03 ppm1      3.362 ppm2      2.540 CV     1
 OR {   24}
   (( segid "PROT" and resid 54   and name HA  ))
   (( segid "PROT" and resid 17   and name HB2 ))
 ASSI {   26}
   (( segid "PROT" and resid 54   and name HA  ))
   (( segid "PROT" and resid 57   and name HB1 ))
      3.200     1.300     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17334E-02 ppm1      3.382 ppm2      2.109 CV     1
 OR {   26}
   (( segid "PROT" and resid 54   and name HA  ))
   (( segid "PROT" and resid 57   and name HG1 ))
 ASSI {   27}
   (( segid "PROT" and resid 54   and name HA  ))
   (( segid "PROT" and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.23166E-02 ppm1      3.390 ppm2      2.013 CV     1
 ASSI {   29}
   (( segid "PROT" and resid 109  and name HA  ))
   (( segid "PROT" and resid 109  and name HG11))
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.23961E-02 ppm1      3.434 ppm2      1.725 CV     1
 ASSI {   32}
   (( segid "PROT" and resid 54   and name HA  ))
   (  segid "PROT" and resid 54   and name HG2%)
      2.400     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.65225E-02 ppm1      3.383 ppm2      0.963 CV     1
 OR {   32}
   (( segid "PROT" and resid 54   and name HA  ))
   (  segid "PROT" and resid 54   and name HG1%)
 ASSI {   33}
   (( segid "PROT" and resid 109  and name HA  ))
   (  segid "PROT" and resid 109  and name HG2%)
      2.500     0.800     0.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.43744E-02 ppm1      3.432 ppm2      0.834 CV     1
 ASSI {   36}
   (( segid "PROT" and resid 78   and name HA  ))
   (  segid "PROT" and resid 78   and name HG2%)
      2.700     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.24647E-02 ppm1      3.318 ppm2      0.388 CV     1
 ASSI {   39}
   (( segid "PROT" and resid 6    and name HA  ))
   (( segid "PROT" and resid 6    and name HB  ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.29724E-02 ppm1      3.802 ppm2      2.341 CV     1
 ASSI {   42}
   (( segid "PROT" and resid 86   and name HA  ))
   (( segid "PROT" and resid 86   and name HG11))
      3.200     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12179E-02 ppm1      3.176 ppm2      1.940 CV     1
 ASSI {   44}
   (( segid "PROT" and resid 86   and name HA  ))
   (( segid "PROT" and resid 86   and name HB  ))
      2.900     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.20311E-02 ppm1      3.182 ppm2      1.800 CV     1
 ASSI {   45}
   (( segid "PROT" and resid 6    and name HA  ))
   (( segid "PROT" and resid 9    and name HB2 ))
      3.500     3.500     2.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.48855E-03 ppm1      3.824 ppm2      1.755 CV     1
 ASSI {   48}
   (( segid "PROT" and resid 6    and name HA  ))
   (  segid "PROT" and resid 6    and name HG2%)
      2.500     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.53102E-02 ppm1      3.804 ppm2      1.173 CV     1
 ASSI {   50}
   (( segid "PROT" and resid 86   and name HA  ))
   (( segid "PROT" and resid 90   and name HD2 ))
      2.800     2.800     3.200 peak    50 spectrum    1 weight  0.10000E+01 volume  0.26338E-02 ppm1      3.173 ppm2      0.808 CV     1
 ASSI {   51}
   (( segid "PROT" and resid 86   and name HA  ))
   (( segid "PROT" and resid 86   and name HG12))
      2.600     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25625E-02 ppm1      3.178 ppm2      0.676 CV     1
 ASSI {   53}
   (( segid "PROT" and resid 86   and name HA  ))
   (  segid "PROT" and resid 89   and name HG2%)
      4.000     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33975E-03 ppm1      3.177 ppm2      0.493 CV     1
 ASSI {   54}
   (( segid "PROT" and resid 75   and name HA  ))
   (( segid "PROT" and resid 75   and name HG11))
      2.900     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      3.621 ppm2      2.118 CV     1
 ASSI {   55}
   (( segid "PROT" and resid 75   and name HA  ))
   (( segid "PROT" and resid 75   and name HG12))
      2.500     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.25573E-02 ppm1      3.615 ppm2      1.345 CV     1
 ASSI {   56}
   (( segid "PROT" and resid 75   and name HA  ))
   (  segid "PROT" and resid 75   and name HG2%)
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      3.615 ppm2      1.011 CV     1
 OR {   56}
   (( segid "PROT" and resid 75   and name HA  ))
   (  segid "PROT" and resid 75   and name HD1%)
 ASSI {   58}
   (( segid "PROT" and resid 20   and name HA  ))
   (( segid "PROT" and resid 20   and name HD2 ))
      5.000     3.200     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13546E-03 ppm1      4.477 ppm2      3.396 CV     1
 ASSI {   61}
   (( segid "PROT" and resid 20   and name HA  ))
   (( segid "PROT" and resid 23   and name HB1 ))
      3.400     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.82058E-03 ppm1      4.489 ppm2      2.732 CV     1
 OR {   61}
   (( segid "PROT" and resid 20   and name HA  ))
   (( segid "PROT" and resid 23   and name HB2 ))
 ASSI {   63}
   (( segid "PROT" and resid 20   and name HA  ))
   (( segid "PROT" and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.31052E-02 ppm1      4.477 ppm2      2.360 CV     1
 ASSI {   66}
   (( segid "PROT" and resid 20   and name HA  ))
   (( segid "PROT" and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.43773E-02 ppm1      4.462 ppm2      1.765 CV     1
 ASSI {   70}
   (( segid "PROT" and resid 18   and name HA  ))
   (( segid "PROT" and resid 18   and name HG12))
      2.300     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.72708E-02 ppm1      3.472 ppm2      0.838 CV     1
 OR {   70}
   (( segid "PROT" and resid 18   and name HA  ))
   (  segid "PROT" and resid 18   and name HG2%)
 ASSI {   71}
   (( segid "PROT" and resid 92   and name HA  ))
   (( segid "PROT" and resid 95   and name HB2 ))
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.98403E-03 ppm1      3.558 ppm2      2.190 CV     1
 ASSI {   74}
   (( segid "PROT" and resid 92   and name HA  ))
   (( segid "PROT" and resid 92   and name HG11))
      3.000     1.100     1.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.29018E-02 ppm1      3.560 ppm2      1.708 CV     1
 ASSI {   75}
   (( segid "PROT" and resid 92   and name HA  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      4.200     2.300     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.30763E-03 ppm1      3.560 ppm2      1.585 CV     1
 OR {   75}
   (( segid "PROT" and resid 92   and name HA  ))
   (( segid "PROT" and resid 120  and name HD1 ))
 OR {   75}
   (( segid "PROT" and resid 92   and name HA  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 ASSI {   76}
   (( segid "PROT" and resid 77   and name HA  ))
   (  segid "PROT" and resid 80   and name HB% )
      2.700     2.700     3.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.32341E-02 ppm1      3.924 ppm2      1.532 CV     1
 ASSI {   77}
   (( segid "PROT" and resid 77   and name HA  ))
   (  segid "PROT" and resid 77   and name HG2%)
      2.400     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.61097E-02 ppm1      3.932 ppm2      1.228 CV     1
 ASSI {   81}
   (( segid "PROT" and resid 71   and name HA  ))
   (( segid "PROT" and resid 74   and name HG1 ))
      3.300     1.400     1.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11368E-02 ppm1      3.823 ppm2      2.505 CV     1
 ASSI {   83}
   (( segid "PROT" and resid 16   and name HA  ))
   (( segid "PROT" and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      4.368 ppm2      2.306 CV     1
 ASSI {   85}
   (( segid "PROT" and resid 97   and name HA  ))
   (( segid "PROT" and resid 97   and name HG11))
      3.200     1.300     1.300 peak    85 spectrum    1 weight  0.10000E+01 volume  0.13106E-02 ppm1      3.882 ppm2      2.056 CV     1
 ASSI {   87}
   (( segid "PROT" and resid 71   and name HA  ))
   (( segid "PROT" and resid 74   and name HG2 ))
      3.900     1.900     1.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.18350E-03 ppm1      3.829 ppm2      1.799 CV     1
 ASSI {   89}
   (( segid "PROT" and resid 71   and name HA  ))
   (  segid "PROT" and resid 71   and name HG2%)
      3.300     1.300     1.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.10071E-02 ppm1      3.822 ppm2      1.290 CV     1
 ASSI {   90}
   (( segid "PROT" and resid 71   and name HA  ))
   (  segid "PROT" and resid 71   and name HG1%)
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      3.812 ppm2      1.127 CV     1
 ASSI {   91}
   (( segid "PROT" and resid 97   and name HA  ))
   (  segid "PROT" and resid 97   and name HG2%)
      2.900     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1      3.887 ppm2      0.953 CV     1
 ASSI {   93}
   (( segid "PROT" and resid 123  and name HB2 ))
   (( segid "PROT" and resid 123  and name HA  ))
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.21667E-02 ppm1      3.976 ppm2      4.358 CV     1
 ASSI {   95}
   (( segid "PROT" and resid 5    and name HA  ))
   (  segid "PROT" and resid 5    and name HG2%)
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.28923E-02 ppm1      4.305 ppm2      1.257 CV     1
 ASSI {   97}
   (( segid "PROT" and resid 28   and name HB2 ))
   (( segid "PROT" and resid 28   and name HA  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.49479E-02 ppm1      4.097 ppm2      4.272 CV     1
 ASSI {   98}
   (( segid "PROT" and resid 28   and name HB1 ))
   (( segid "PROT" and resid 28   and name HA  ))
      2.300     0.700     0.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.72541E-02 ppm1      3.914 ppm2      4.273 CV     1
 ASSI {   99}
   (( segid "PROT" and resid 28   and name HB1 ))
   (( segid "PROT" and resid 28   and name HB2 ))
      1.800     0.400     0.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.11681E-01 ppm1      3.916 ppm2      4.111 CV     1
 ASSI {  100}
   (( segid "PROT" and resid 28   and name HB1 ))
   (( segid "PROT" and resid 51   and name HA  ))
      1.900     1.900     4.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.36450E-01 ppm1      3.905 ppm2      3.764 CV     1
 ASSI {  103}
   (( segid "PROT" and resid 118  and name HA  ))
   (( segid "PROT" and resid 118  and name HB  ))
      5.600     3.900     0.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.38243E-04 ppm1      3.692 ppm2      2.028 CV     1
 ASSI {  104}
   (( segid "PROT" and resid 28   and name HB1 ))
   (( segid "PROT" and resid 31   and name HB  ))
      4.900     3.000     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.18312E-03 ppm1      3.917 ppm2      1.923 CV     1
 ASSI {  108}
   (( segid "PROT" and resid 113  and name HA  ))
   (( segid "PROT" and resid 116  and name HB2 ))
      4.200     2.200     1.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.34802E-03 ppm1      3.939 ppm2      3.280 CV     1
 ASSI {  114}
   (( segid "PROT" and resid 10   and name HA  ))
   (( segid "PROT" and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      4.199 ppm2      2.964 CV     1
 ASSI {  116}
   (( segid "PROT" and resid 45   and name HB2 ))
   (( segid "PROT" and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.66310E-02 ppm1      3.995 ppm2      4.273 CV     1
 OR {  116}
   (( segid "PROT" and resid 45   and name HB1 ))
   (( segid "PROT" and resid 45   and name HA  ))
 ASSI {  124}
   (( segid "PROT" and resid 68   and name HA  ))
   (  segid "PROT" and resid 71   and name HG1%)
      3.700     1.700     1.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.97549E-03 ppm1      3.892 ppm2      1.121 CV     1
 ASSI {  125}
   (( segid "PROT" and resid 68   and name HA  ))
   (  segid "PROT" and resid 68   and name HG2%)
      2.700     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.37382E-02 ppm1      3.894 ppm2      0.728 CV     1
 ASSI {  128}
   (( segid "PROT" and resid 31   and name HA  ))
   (( segid "PROT" and resid 31   and name HB  ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.23602E-02 ppm1      3.944 ppm2      1.926 CV     1
 ASSI {  129}
   (( segid "PROT" and resid 31   and name HA  ))
   (( segid "PROT" and resid 31   and name HG11))
      3.500     1.500     1.500 peak   129 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      3.958 ppm2      1.511 CV     1
 ASSI {  130}
   (( segid "PROT" and resid 31   and name HA  ))
   (  segid "PROT" and resid 31   and name HG2%)
      2.800     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.26080E-02 ppm1      3.940 ppm2      0.844 CV     1
 OR {  130}
   (( segid "PROT" and resid 31   and name HA  ))
   (  segid "PROT" and resid 31   and name HD1%)
 ASSI {  131}
   (( segid "PROT" and resid 33   and name HA  ))
   (( segid "PROT" and resid 33   and name HB  ))
      3.000     1.200     1.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.15369E-02 ppm1      4.222 ppm2      4.397 CV     1
 ASSI {  132}
   (( segid "PROT" and resid 33   and name HA  ))
   (( segid "PROT" and resid 36   and name HB2 ))
      4.100     2.100     1.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.26513E-03 ppm1      4.241 ppm2      2.045 CV     1
 ASSI {  133}
   (( segid "PROT" and resid 33   and name HA  ))
   (  segid "PROT" and resid 33   and name HG2%)
      3.100     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.18294E-02 ppm1      4.253 ppm2      1.269 CV     1
 ASSI {  134}
   (( segid "PROT" and resid 104  and name HA  ))
   (  segid "PROT" and resid 104  and name HG2%)
      2.800     1.000     1.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.29971E-02 ppm1      4.451 ppm2      1.206 CV     1
 ASSI {  135}
   (( segid "PROT" and resid 104  and name HA  ))
   (  segid "PROT" and resid 64   and name HG2%)
      3.100     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.13078E-02 ppm1      4.452 ppm2      1.127 CV     1
 ASSI {  139}
   (( segid "PROT" and resid 58   and name HA  ))
   (( segid "PROT" and resid 58   and name HB  ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.48012E-02 ppm1      4.549 ppm2      2.357 CV     1
 ASSI {  140}
   (( segid "PROT" and resid 90   and name HA  ))
   (( segid "PROT" and resid 75   and name HG11))
      4.700     2.800     1.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.34069E-03 ppm1      3.885 ppm2      2.130 CV     1
 ASSI {  142}
   (( segid "PROT" and resid 90   and name HA  ))
   (( segid "PROT" and resid 90   and name HB1 ))
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.58648E-02 ppm1      3.880 ppm2      1.762 CV     1
 ASSI {  143}
   (( segid "PROT" and resid 58   and name HA  ))
   (( segid "PROT" and resid 58   and name HG11))
      4.000     2.000     2.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.45666E-03 ppm1      4.547 ppm2      1.638 CV     1
 ASSI {  144}
   (( segid "PROT" and resid 90   and name HA  ))
   (( segid "PROT" and resid 90   and name HB2 ))
      2.700     0.900     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.29824E-02 ppm1      3.880 ppm2      1.496 CV     1
 ASSI {  145}
   (( segid "PROT" and resid 90   and name HA  ))
   (( segid "PROT" and resid 90   and name HD1 ))
      5.300     3.500     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.15709E-03 ppm1      3.891 ppm2      1.244 CV     1
 ASSI {  146}
   (( segid "PROT" and resid 90   and name HA  ))
   (  segid "PROT" and resid 75   and name HD1%)
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.46887E-02 ppm1      3.881 ppm2      1.028 CV     1
 ASSI {  149}
   (( segid "PROT" and resid 58   and name HA  ))
   (  segid "PROT" and resid 58   and name HD1%)
      4.900     3.000     1.100 peak   149 spectrum    1 weight  0.10000E+01 volume  0.41179E-03 ppm1      4.530 ppm2      0.811 CV     1
 ASSI {  150}
   (( segid "PROT" and resid 90   and name HA  ))
   (( segid "PROT" and resid 90   and name HG2 ))
      3.000     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.37139E-02 ppm1      3.883 ppm2      0.708 CV     1
 ASSI {  157}
   (( segid "PROT" and resid 123  and name HA  ))
   (( segid "PROT" and resid 123  and name HB2 ))
      2.300     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.75602E-02 ppm1      4.338 ppm2      3.988 CV     1
 OR {  157}
   (( segid "PROT" and resid 123  and name HA  ))
   (( segid "PROT" and resid 123  and name HB1 ))
 ASSI {  159}
   (( segid "PROT" and resid 117  and name HA  ))
   (( segid "PROT" and resid 117  and name HB2 ))
      2.800     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.24710E-02 ppm1      3.514 ppm2      2.336 CV     1
 ASSI {  160}
   (( segid "PROT" and resid 57   and name HA  ))
   (( segid "PROT" and resid 57   and name HB1 ))
      2.400     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.53370E-02 ppm1      4.064 ppm2      2.113 CV     1
 OR {  160}
   (( segid "PROT" and resid 57   and name HA  ))
   (( segid "PROT" and resid 57   and name HG1 ))
 ASSI {  163}
   (( segid "PROT" and resid 117  and name HA  ))
   (( segid "PROT" and resid 120  and name HB2 ))
      5.100     3.200     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.91331E-04 ppm1      3.511 ppm2      1.587 CV     1
 OR {  163}
   (( segid "PROT" and resid 117  and name HA  ))
   (( segid "PROT" and resid 120  and name HD2 ))
 OR {  163}
   (( segid "PROT" and resid 117  and name HA  ))
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI {  164}
   (( segid "PROT" and resid 64   and name HA  ))
   (  segid "PROT" and resid 64   and name HG2%)
      2.600     0.800     0.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.41953E-02 ppm1      4.252 ppm2      1.122 CV     1
 ASSI {  165}
   (( segid "PROT" and resid 64   and name HA  ))
   (( segid "PROT" and resid 109  and name HG12))
      4.000     2.000     2.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.60578E-03 ppm1      4.250 ppm2      0.933 CV     1
 ASSI {  166}
   (( segid "PROT" and resid 64   and name HA  ))
   (  segid "PROT" and resid 61   and name HD1%)
      3.300     1.400     1.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.79022E-03 ppm1      4.258 ppm2      0.855 CV     1
 ASSI {  167}
   (( segid "PROT" and resid 64   and name HA  ))
   (  segid "PROT" and resid 61   and name HD2%)
      2.600     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48701E-02 ppm1      4.251 ppm2      0.723 CV     1
 ASSI {  168}
   (( segid "PROT" and resid 117  and name HA  ))
   (  segid "PROT" and resid 92   and name HG2%)
      2.900     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.14397E-02 ppm1      3.516 ppm2      0.433 CV     1
 ASSI {  169}
   (( segid "PROT" and resid 53   and name HA  ))
   (( segid "PROT" and resid 53   and name HB1 ))
      3.000     1.200     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.26005E-02 ppm1      4.176 ppm2      3.581 CV     1
 ASSI {  170}
   (( segid "PROT" and resid 53   and name HA  ))
   (( segid "PROT" and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.31745E-02 ppm1      4.175 ppm2      3.288 CV     1
 ASSI {  172}
   (( segid "PROT" and resid 53   and name HA  ))
   (( segid "PROT" and resid 56   and name HD1 ))
      3.300     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      4.173 ppm2      1.728 CV     1
 OR {  172}
   (( segid "PROT" and resid 53   and name HA  ))
   (( segid "PROT" and resid 56   and name HD2 ))
 ASSI {  173}
   (( segid "PROT" and resid 107  and name HA  ))
   (( segid "PROT" and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      4.212 ppm2      3.798 CV     1
 ASSI {  174}
   (( segid "PROT" and resid 107  and name HA  ))
   (( segid "PROT" and resid 107  and name HB1 ))
      2.600     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.36220E-02 ppm1      4.211 ppm2      2.811 CV     1
 ASSI {  178}
   (( segid "PROT" and resid 107  and name HA  ))
   (  segid "PROT" and resid 52   and name HB% )
      3.000     3.000     3.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.26256E-02 ppm1      4.215 ppm2      1.427 CV     1
 ASSI {  184}
   (( segid "PROT" and resid 21   and name HA  ))
   (( segid "PROT" and resid 53   and name HB1 ))
      6.000     6.000     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.13059E-04 ppm1      4.429 ppm2      3.588 CV     1
 ASSI {  186}
   (( segid "PROT" and resid 1    and name HA  ))
   (( segid "PROT" and resid 2    and name HB2 ))
      6.000     6.000     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.34787E-04 ppm1      3.722 ppm2      2.924 CV     1
 ASSI {  187}
   (( segid "PROT" and resid 21   and name HA  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      2.600     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.29883E-02 ppm1      4.418 ppm2      2.764 CV     1
 ASSI {  192}
   (( segid "PROT" and resid 21   and name HA  ))
   (( segid "PROT" and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.19492E-02 ppm1      4.419 ppm2      2.222 CV     1
 ASSI {  195}
   (( segid "PROT" and resid 27   and name HA  ))
   (( segid "PROT" and resid 27   and name HB  ))
      2.700     0.900     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.29369E-02 ppm1      4.289 ppm2      1.536 CV     1
 OR {  195}
   (( segid "PROT" and resid 27   and name HA  ))
   (( segid "PROT" and resid 27   and name HG11))
 ASSI {  197}
   (( segid "PROT" and resid 27   and name HA  ))
   (( segid "PROT" and resid 27   and name HG12))
      3.200     1.300     1.300 peak   197 spectrum    1 weight  0.10000E+01 volume  0.16894E-02 ppm1      4.302 ppm2      1.106 CV     1
 ASSI {  201}
   (( segid "PROT" and resid 15   and name HA  ))
   (( segid "PROT" and resid 15   and name HG1 ))
      4.500     2.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.13834E-03 ppm1      4.545 ppm2      2.873 CV     1
 ASSI {  202}
   (( segid "PROT" and resid 12   and name HA  ))
   (( segid "PROT" and resid 15   and name HG1 ))
      4.700     2.700     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.19519E-03 ppm1      4.041 ppm2      2.853 CV     1
 ASSI {  208}
   (( segid "PROT" and resid 56   and name HA  ))
   (( segid "PROT" and resid 56   and name HB1 ))
      2.000     0.500     0.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.96741E-02 ppm1      4.548 ppm2      1.996 CV     1
 ASSI {  209}
   (( segid "PROT" and resid 73   and name HA  ))
   (( segid "PROT" and resid 73   and name HB2 ))
      2.100     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.12343E-01 ppm1      4.047 ppm2      1.981 CV     1
 OR {  209}
   (( segid "PROT" and resid 73   and name HA  ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI {  214}
   (( segid "PROT" and resid 56   and name HA  ))
   (( segid "PROT" and resid 56   and name HG2 ))
      3.000     1.100     1.100 peak   214 spectrum    1 weight  0.10000E+01 volume  0.19566E-02 ppm1      4.548 ppm2      1.546 CV     1
 ASSI {  216}
   (( segid "PROT" and resid 29   and name HA  ))
   (  segid "PROT" and resid 47   and name HD1%)
      3.200     3.200     2.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      3.886 ppm2      0.949 CV     1
 ASSI {  219}
   (( segid "PROT" and resid 15   and name HA  ))
   (( segid "PROT" and resid 16   and name HD2 ))
      5.700     4.000     0.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.64693E-04 ppm1      4.553 ppm2      3.516 CV     1
 ASSI {  220}
   (( segid "PROT" and resid 19   and name HA  ))
   (( segid "PROT" and resid 20   and name HD2 ))
      5.200     3.300     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.10999E-03 ppm1      4.470 ppm2      3.401 CV     1
 ASSI {  224}
   (( segid "PROT" and resid 15   and name HA  ))
   (( segid "PROT" and resid 15   and name HB1 ))
      2.700     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.42520E-02 ppm1      4.549 ppm2      2.585 CV     1
 OR {  224}
   (( segid "PROT" and resid 15   and name HA  ))
   (( segid "PROT" and resid 15   and name HG2 ))
 ASSI {  226}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 12   and name HB1 ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.64936E-02 ppm1      4.204 ppm2      2.199 CV     1
 OR {  226}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 12   and name HB2 ))
 ASSI {  227}
   (( segid "PROT" and resid 76   and name HA  ))
   (( segid "PROT" and resid 76   and name HB1 ))
      2.200     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.79651E-02 ppm1      3.755 ppm2      2.201 CV     1
 OR {  227}
   (( segid "PROT" and resid 76   and name HA  ))
   (( segid "PROT" and resid 76   and name HG2 ))
 ASSI {  228}
   (( segid "PROT" and resid 19   and name HA  ))
   (( segid "PROT" and resid 19   and name HB1 ))
      2.300     0.700     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.58386E-02 ppm1      4.492 ppm2      2.128 CV     1
 ASSI {  229}
   (( segid "PROT" and resid 76   and name HA  ))
   (( segid "PROT" and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.66817E-02 ppm1      3.764 ppm2      2.087 CV     1
 ASSI {  230}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HB1 ))
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.32979E-02 ppm1      4.215 ppm2      2.005 CV     1
 ASSI {  231}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.45961E-02 ppm1      4.214 ppm2      1.773 CV     1
 ASSI {  232}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HD1 ))
      2.800     1.000     1.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.22672E-02 ppm1      4.214 ppm2      1.725 CV     1
 OR {  232}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HG1 ))
 OR {  232}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HD2 ))
 ASSI {  233}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 9    and name HG2 ))
      2.500     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      4.213 ppm2      1.570 CV     1
 ASSI {  234}
   (( segid "PROT" and resid 19   and name HA  ))
   (  segid "PROT" and resid 22   and name HB% )
      2.700     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.27612E-02 ppm1      4.499 ppm2      1.470 CV     1
 ASSI {  238}
   (( segid "PROT" and resid 76   and name HA  ))
   (( segid "PROT" and resid 86   and name HG12))
      2.800     1.000     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.14800E-02 ppm1      3.775 ppm2      0.682 CV     1
 ASSI {  240}
   (( segid "PROT" and resid 50   and name HA  ))
   (( segid "PROT" and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.22674E-02 ppm1      3.989 ppm2      3.586 CV     1
 ASSI {  242}
   (( segid "PROT" and resid 50   and name HA  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      3.900     1.900     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.23240E-03 ppm1      3.965 ppm2      2.762 CV     1
 ASSI {  244}
   (( segid "PROT" and resid 87   and name HA  ))
   (( segid "PROT" and resid 87   and name HB2 ))
      2.100     0.500     0.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.13578E-01 ppm1      3.874 ppm2      2.149 CV     1
 OR {  244}
   (( segid "PROT" and resid 87   and name HA  ))
   (( segid "PROT" and resid 87   and name HB1 ))
 ASSI {  245}
   (( segid "PROT" and resid 87   and name HA  ))
   (( segid "PROT" and resid 90   and name HB1 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.47508E-02 ppm1      3.867 ppm2      1.758 CV     1
 ASSI {  247}
   (( segid "PROT" and resid 87   and name HA  ))
   (( segid "PROT" and resid 90   and name HD1 ))
      3.300     1.400     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.57192E-03 ppm1      3.872 ppm2      1.228 CV     1
 ASSI {  250}
   (( segid "PROT" and resid 74   and name HA  ))
   (( segid "PROT" and resid 74   and name HG1 ))
      3.800     1.800     1.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.76045E-03 ppm1      3.500 ppm2      2.498 CV     1
 ASSI {  251}
   (( segid "PROT" and resid 98   and name HA  ))
   (( segid "PROT" and resid 98   and name HG2 ))
      2.900     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.25788E-02 ppm1      4.053 ppm2      2.412 CV     1
 OR {  251}
   (( segid "PROT" and resid 98   and name HA  ))
   (( segid "PROT" and resid 98   and name HG1 ))
 ASSI {  254}
   (( segid "PROT" and resid 74   and name HA  ))
   (( segid "PROT" and resid 74   and name HB1 ))
      2.900     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12579E-02 ppm1      3.502 ppm2      1.905 CV     1
 ASSI {  257}
   (( segid "PROT" and resid 74   and name HA  ))
   (  segid "PROT" and resid 77   and name HG1%)
      5.500     3.800     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.93936E-04 ppm1      3.497 ppm2      1.091 CV     1
 ASSI {  259}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.16470E-02 ppm1      4.413 ppm2      3.664 CV     1
 ASSI {  263}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 90   and name HE1 ))
      3.100     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.88353E-03 ppm1      4.411 ppm2      2.233 CV     1
 ASSI {  264}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 75   and name HB  ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.43150E-02 ppm1      4.418 ppm2      2.110 CV     1
 OR {  264}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 75   and name HG11))
 ASSI {  265}
   (( segid "PROT" and resid 59   and name HA  ))
   (( segid "PROT" and resid 59   and name HB1 ))
      2.200     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.11715E-01 ppm1      3.764 ppm2      2.109 CV     1
 OR {  265}
   (( segid "PROT" and resid 59   and name HA  ))
   (( segid "PROT" and resid 59   and name HG2 ))
 OR {  265}
   (( segid "PROT" and resid 59   and name HA  ))
   (( segid "PROT" and resid 59   and name HG1 ))
 ASSI {  266}
   (( segid "PROT" and resid 101  and name HA  ))
   (( segid "PROT" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.22709E-02 ppm1      4.157 ppm2      1.943 CV     1
 OR {  266}
   (( segid "PROT" and resid 101  and name HA  ))
   (( segid "PROT" and resid 101  and name HB1 ))
 ASSI {  267}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 90   and name HG1 ))
      4.300     2.300     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.15562E-03 ppm1      4.419 ppm2      1.803 CV     1
 ASSI {  269}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 75   and name HG12))
      6.000     6.000     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.41381E-04 ppm1      4.426 ppm2      1.320 CV     1
 ASSI {  270}
   (( segid "PROT" and resid 72   and name HA  ))
   (  segid "PROT" and resid 75   and name HD1%)
      2.700     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.26182E-02 ppm1      4.418 ppm2      1.026 CV     1
 ASSI {  271}
   (( segid "PROT" and resid 101  and name HA  ))
   (  segid "PROT" and resid 66   and name HD1%)
      3.400     1.400     1.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.79022E-03 ppm1      4.160 ppm2      0.762 CV     1
 ASSI {  272}
   (( segid "PROT" and resid 72   and name HA  ))
   (( segid "PROT" and resid 90   and name HG2 ))
      3.700     1.700     1.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      4.424 ppm2      0.709 CV     1
 ASSI {  274}
   (( segid "PROT" and resid 88   and name HA  ))
   (( segid "PROT" and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.23924E-02 ppm1      4.052 ppm2      1.884 CV     1
 ASSI {  277}
   (( segid "PROT" and resid 46   and name HA  ))
   (( segid "PROT" and resid 49   and name HB2 ))
      3.600     1.600     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.50055E-03 ppm1      4.340 ppm2      3.081 CV     1
 ASSI {  280}
   (( segid "PROT" and resid 46   and name HA  ))
   (( segid "PROT" and resid 49   and name HB1 ))
      5.600     3.900     0.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.88860E-04 ppm1      4.331 ppm2      3.242 CV     1
 ASSI {  285}
   (( segid "PROT" and resid 4    and name HA  ))
   (( segid "PROT" and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.57170E-02 ppm1      4.415 ppm2      2.708 CV     1
 ASSI {  286}
   (( segid "PROT" and resid 115  and name HA  ))
   (( segid "PROT" and resid 115  and name HB2 ))
      3.600     1.600     1.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.55624E-03 ppm1      4.329 ppm2      2.569 CV     1
 ASSI {  287}
   (( segid "PROT" and resid 84   and name HA  ))
   (( segid "PROT" and resid 87   and name HB1 ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.28241E-02 ppm1      4.409 ppm2      2.146 CV     1
 OR {  287}
   (( segid "PROT" and resid 84   and name HA  ))
   (( segid "PROT" and resid 87   and name HB2 ))
 ASSI {  292}
   (( segid "PROT" and resid 121  and name HA  ))
   (( segid "PROT" and resid 121  and name HG  ))
      3.000     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.16912E-02 ppm1      3.767 ppm2      1.121 CV     1
 ASSI {  296}
   (( segid "PROT" and resid 121  and name HA  ))
   (  segid "PROT" and resid 92   and name HD1%)
      2.800     2.800     3.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.30682E-02 ppm1      3.762 ppm2      0.511 CV     1
 ASSI {  297}
   (( segid "PROT" and resid 67   and name HA  ))
   (( segid "PROT" and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.42572E-02 ppm1      4.546 ppm2      3.165 CV     1
 ASSI {  299}
   (( segid "PROT" and resid 47   and name HA  ))
   (( segid "PROT" and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.32328E-02 ppm1      4.205 ppm2      1.976 CV     1
 ASSI {  302}
   (( segid "PROT" and resid 47   and name HA  ))
   (  segid "PROT" and resid 47   and name HD2%)
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.18902E-02 ppm1      4.188 ppm2      0.862 CV     1
 ASSI {  304}
   (( segid "PROT" and resid 84   and name HA  ))
   (( segid "PROT" and resid 88   and name HA  ))
      3.800     3.800     2.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.67792E-03 ppm1      4.407 ppm2      4.046 CV     1
 ASSI {  306}
   (( segid "PROT" and resid 60   and name HA  ))
   (( segid "PROT" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      4.813 ppm2      3.165 CV     1
 ASSI {  314}
   (( segid "PROT" and resid 60   and name HA  ))
   (( segid "PROT" and resid 70   and name HG1 ))
      3.800     1.800     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.27968E-03 ppm1      4.827 ppm2      1.926 CV     1
 ASSI {  316}
   (( segid "PROT" and resid 85   and name HA  ))
   (( segid "PROT" and resid 88   and name HB1 ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.26424E-02 ppm1      4.342 ppm2      1.775 CV     1
 ASSI {  317}
   (( segid "PROT" and resid 47   and name HA  ))
   (( segid "PROT" and resid 47   and name HG  ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      4.214 ppm2      1.773 CV     1
 ASSI {  322}
   (( segid "PROT" and resid 122  and name HA  ))
   (( segid "PROT" and resid 122  and name HB2 ))
      2.500     0.800     0.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.32841E-02 ppm1      4.891 ppm2      3.495 CV     1
 ASSI {  325}
   (( segid "PROT" and resid 122  and name HA  ))
   (( segid "PROT" and resid 122  and name HB1 ))
      3.100     1.200     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.20127E-02 ppm1      4.904 ppm2      2.953 CV     1
 ASSI {  327}
   (( segid "PROT" and resid 96   and name HA  ))
   (( segid "PROT" and resid 115  and name HB1 ))
      4.400     2.400     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.30365E-03 ppm1      4.672 ppm2      2.698 CV     1
 ASSI {  328}
   (( segid "PROT" and resid 96   and name HA  ))
   (( segid "PROT" and resid 96   and name HB1 ))
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.15105E-02 ppm1      4.663 ppm2      2.615 CV     1
 ASSI {  329}
   (( segid "PROT" and resid 96   and name HA  ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.800     2.900     1.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.12262E-03 ppm1      4.657 ppm2      3.949 CV     1
 ASSI {  330}
   (( segid "PROT" and resid 17   and name HA  ))
   (( segid "PROT" and resid 57   and name HD2 ))
      3.400     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.18014E-02 ppm1      4.863 ppm2      3.439 CV     1
 ASSI {  331}
   (( segid "PROT" and resid 49   and name HA  ))
   (( segid "PROT" and resid 49   and name HB1 ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.24055E-02 ppm1      4.700 ppm2      3.226 CV     1
 ASSI {  332}
   (( segid "PROT" and resid 94   and name HA  ))
   (( segid "PROT" and resid 94   and name HB1 ))
      2.600     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.42983E-02 ppm1      4.621 ppm2      3.174 CV     1
 ASSI {  333}
   (( segid "PROT" and resid 49   and name HA  ))
   (( segid "PROT" and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.18285E-02 ppm1      4.710 ppm2      3.079 CV     1
 ASSI {  334}
   (( segid "PROT" and resid 94   and name HA  ))
   (( segid "PROT" and resid 94   and name HB2 ))
      2.900     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.19029E-02 ppm1      4.591 ppm2      2.951 CV     1
 ASSI {  337}
   (( segid "PROT" and resid 96   and name HA  ))
   (( segid "PROT" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.78246E-03 ppm1      4.653 ppm2      2.413 CV     1
 ASSI {  338}
   (( segid "PROT" and resid 44   and name HA  ))
   (( segid "PROT" and resid 44   and name HB1 ))
      3.200     1.300     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.15171E-02 ppm1      4.502 ppm2      2.162 CV     1
 ASSI {  339}
   (( segid "PROT" and resid 17   and name HA  ))
   (( segid "PROT" and resid 20   and name HG1 ))
      3.800     1.800     1.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.12672E-02 ppm1      4.850 ppm2      2.156 CV     1
 ASSI {  340}
   (( segid "PROT" and resid 44   and name HA  ))
   (  segid "PROT" and resid 44   and name HE% )
      3.200     3.200     2.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.27449E-02 ppm1      4.502 ppm2      2.087 CV     1
 ASSI {  343}
   (( segid "PROT" and resid 44   and name HA  ))
   (  segid "PROT" and resid 47   and name HD1%)
      3.300     3.300     2.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      4.508 ppm2      0.957 CV     1
 ASSI {  344}
   (( segid "PROT" and resid 94   and name HA  ))
   (  segid "PROT" and resid 97   and name HD1%)
      3.300     1.300     1.300 peak   344 spectrum    1 weight  0.10000E+01 volume  0.10819E-02 ppm1      4.603 ppm2      0.726 CV     1
 ASSI {  348}
   (( segid "PROT" and resid 30   and name HA  ))
   (( segid "PROT" and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.28550E-02 ppm1      4.285 ppm2      2.680 CV     1
 ASSI {  349}
   (( segid "PROT" and resid 30   and name HA  ))
   (( segid "PROT" and resid 30   and name HB1 ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.28531E-02 ppm1      4.290 ppm2      2.575 CV     1
 ASSI {  350}
   (( segid "PROT" and resid 30   and name HA  ))
   (( segid "PROT" and resid 29   and name HG2 ))
      4.600     2.600     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.18113E-03 ppm1      4.301 ppm2      2.316 CV     1
 ASSI {  351}
   (( segid "PROT" and resid 94   and name HA  ))
   (( segid "PROT" and resid 97   and name HG11))
      3.900     1.900     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.41528E-03 ppm1      4.627 ppm2      2.036 CV     1
 ASSI {  357}
   (( segid "PROT" and resid 62   and name HA  ))
   (( segid "PROT" and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.53856E-02 ppm1      4.512 ppm2      1.825 CV     1
 OR {  357}
   (( segid "PROT" and resid 62   and name HA  ))
   (( segid "PROT" and resid 62   and name HB1 ))
 ASSI {  358}
   (( segid "PROT" and resid 22   and name HA  ))
   (( segid "PROT" and resid 25   and name HG  ))
      4.900     3.000     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.12029E-03 ppm1      3.841 ppm2      1.764 CV     1
 ASSI {  359}
   (( segid "PROT" and resid 22   and name HA  ))
   (( segid "PROT" and resid 50   and name HG  ))
      3.200     1.300     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      3.839 ppm2      1.616 CV     1
 ASSI {  360}
   (( segid "PROT" and resid 62   and name HA  ))
   (( segid "PROT" and resid 62   and name HD1 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.16404E-02 ppm1      4.511 ppm2      1.538 CV     1
 ASSI {  361}
   (( segid "PROT" and resid 22   and name HA  ))
   (  segid "PROT" and resid 22   and name HB% )
      2.300     0.600     0.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.81339E-02 ppm1      3.838 ppm2      1.472 CV     1
 ASSI {  362}
   (( segid "PROT" and resid 62   and name HA  ))
   (( segid "PROT" and resid 61   and name HG  ))
      3.700     1.700     1.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.64667E-03 ppm1      4.517 ppm2      1.410 CV     1
 OR {  362}
   (( segid "PROT" and resid 62   and name HA  ))
   (( segid "PROT" and resid 61   and name HB2 ))
 ASSI {  365}
   (( segid "PROT" and resid 22   and name HA  ))
   (( segid "PROT" and resid 27   and name HG12))
      4.500     2.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.22105E-03 ppm1      3.843 ppm2      1.117 CV     1
 ASSI {  366}
   (( segid "PROT" and resid 22   and name HA  ))
   (  segid "PROT" and resid 50   and name HD1%)
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.47408E-02 ppm1      3.839 ppm2      0.928 CV     1
 ASSI {  373}
   (( segid "PROT" and resid 103  and name HA  ))
   (( segid "PROT" and resid 103  and name HB2 ))
      3.300     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.13343E-02 ppm1      4.422 ppm2      1.971 CV     1
 ASSI {  374}
   (( segid "PROT" and resid 83   and name HA  ))
   (( segid "PROT" and resid 86   and name HG11))
      3.500     1.500     1.500 peak   374 spectrum    1 weight  0.10000E+01 volume  0.57788E-03 ppm1      4.017 ppm2      1.939 CV     1
 ASSI {  376}
   (( segid "PROT" and resid 83   and name HA  ))
   (( segid "PROT" and resid 86   and name HB  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.33288E-02 ppm1      4.008 ppm2      1.805 CV     1
 ASSI {  378}
   (( segid "PROT" and resid 83   and name HA  ))
   (  segid "PROT" and resid 83   and name HB% )
      2.300     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.80081E-02 ppm1      4.007 ppm2      1.471 CV     1
 ASSI {  379}
   (( segid "PROT" and resid 83   and name HA  ))
   (  segid "PROT" and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.37045E-02 ppm1      4.009 ppm2      0.858 CV     1
 ASSI {  381}
   (( segid "PROT" and resid 14   and name HA  ))
   (( segid "PROT" and resid 16   and name HD2 ))
      4.900     3.000     1.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.55948E-04 ppm1      4.575 ppm2      3.520 CV     1
 ASSI {  383}
   (( segid "PROT" and resid 8    and name HA  ))
   (( segid "PROT" and resid 11   and name HG2 ))
      3.800     1.800     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.56446E-03 ppm1      4.159 ppm2      2.765 CV     1
 OR {  383}
   (( segid "PROT" and resid 8    and name HA  ))
   (( segid "PROT" and resid 11   and name HG1 ))
 ASSI {  385}
   (( segid "PROT" and resid 14   and name HA  ))
   (( segid "PROT" and resid 14   and name HG  ))
      4.300     2.300     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.16045E-03 ppm1      4.565 ppm2      2.296 CV     1
 ASSI {  388}
   (( segid "PROT" and resid 14   and name HA  ))
   (  segid "PROT" and resid 14   and name HD1%)
      3.400     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.23352E-02 ppm1      4.570 ppm2      1.142 CV     1
 ASSI {  389}
   (( segid "PROT" and resid 8    and name HA  ))
   (  segid "PROT" and resid 7    and name HG1%)
      4.900     3.000     1.100 peak   389 spectrum    1 weight  0.10000E+01 volume  0.94501E-04 ppm1      4.164 ppm2      1.043 CV     1
 ASSI {  390}
   (( segid "PROT" and resid 14   and name HA  ))
   (  segid "PROT" and resid 14   and name HD2%)
      2.900     1.000     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.21324E-02 ppm1      4.575 ppm2      0.969 CV     1
 ASSI {  393}
   (( segid "PROT" and resid 52   and name HA  ))
   (( segid "PROT" and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak   393 spectrum    1 weight  0.10000E+01 volume  0.24761E-02 ppm1      4.105 ppm2      2.218 CV     1
 ASSI {  394}
   (( segid "PROT" and resid 52   and name HA  ))
   (( segid "PROT" and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.13211E-02 ppm1      4.119 ppm2      1.966 CV     1
 ASSI {  399}
   (( segid "PROT" and resid 93   and name HA  ))
   (  segid "PROT" and resid 93   and name HB% )
      2.200     0.600     0.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.97061E-02 ppm1      4.209 ppm2      1.766 CV     1
 ASSI {  401}
   (( segid "PROT" and resid 32   and name HA  ))
   (  segid "PROT" and resid 32   and name HB% )
      2.400     0.700     0.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.57177E-02 ppm1      3.832 ppm2      1.286 CV     1
 ASSI {  402}
   (( segid "PROT" and resid 32   and name HA  ))
   (  segid "PROT" and resid 27   and name HG2%)
      2.800     2.800     3.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1      3.830 ppm2      0.976 CV     1
 ASSI {  405}
   (( segid "PROT" and resid 93   and name HA  ))
   (  segid "PROT" and resid 92   and name HG2%)
      6.000     5.600     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.12036E-04 ppm1      4.207 ppm2      0.457 CV     1
 ASSI {  406}
   (( segid "PROT" and resid 80   and name HA  ))
   (( segid "PROT" and resid 81   and name HA2 ))
      6.000     5.800     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.43817E-04 ppm1      4.000 ppm2      4.356 CV     1
 ASSI {  407}
   (( segid "PROT" and resid 80   and name HA  ))
   (( segid "PROT" and resid 76   and name HA  ))
      4.000     2.000     2.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.35076E-03 ppm1      3.994 ppm2      3.752 CV     1
 ASSI {  408}
   (( segid "PROT" and resid 43   and name HA  ))
   (( segid "PROT" and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.43986E-02 ppm1      4.619 ppm2      2.803 CV     1
 ASSI {  411}
   (( segid "PROT" and resid 80   and name HA  ))
   (( segid "PROT" and resid 86   and name HG11))
      4.900     3.000     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.10705E-03 ppm1      3.990 ppm2      1.941 CV     1
 ASSI {  413}
   (( segid "PROT" and resid 80   and name HA  ))
   (  segid "PROT" and resid 86   and name HD1%)
      2.500     2.500     3.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.44893E-02 ppm1      3.992 ppm2      0.861 CV     1
 ASSI {  414}
   (( segid "PROT" and resid 80   and name HA  ))
   (( segid "PROT" and resid 86   and name HG12))
      4.500     2.500     1.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.16536E-03 ppm1      3.988 ppm2      0.664 CV     1
 ASSI {  416}
   (( segid "PROT" and resid 2    and name HA  ))
   (( segid "PROT" and resid 3    and name HA  ))
      6.000     6.000     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12166E-04 ppm1      4.861 ppm2      3.776 CV     1
 ASSI {  417}
   (( segid "PROT" and resid 2    and name HA  ))
   (( segid "PROT" and resid 1    and name HA  ))
      6.000     6.000     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.14993E-04 ppm1      4.851 ppm2      3.726 CV     1
 ASSI {  419}
   (( segid "PROT" and resid 40   and name HA  ))
   (( segid "PROT" and resid 40   and name HB2 ))
      3.100     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.15151E-02 ppm1      4.749 ppm2      2.779 CV     1
 ASSI {  420}
   (( segid "PROT" and resid 2    and name HA  ))
   (( segid "PROT" and resid 2    and name HB1 ))
      2.400     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.52716E-02 ppm1      4.869 ppm2      2.702 CV     1
 ASSI {  426}
   (( segid "PROT" and resid 2    and name HA  ))
   (( segid "PROT" and resid 1    and name HB  ))
      4.900     3.000     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.15660E-03 ppm1      4.865 ppm2      2.015 CV     1
 ASSI {  428}
   (( segid "PROT" and resid 61   and name HA  ))
   (( segid "PROT" and resid 62   and name HB1 ))
      4.900     3.000     1.100 peak   428 spectrum    1 weight  0.10000E+01 volume  0.30193E-03 ppm1      5.231 ppm2      1.842 CV     1
 OR {  428}
   (( segid "PROT" and resid 61   and name HA  ))
   (( segid "PROT" and resid 62   and name HB2 ))
 ASSI {  435}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 97   and name HA  ))
      5.300     3.500     0.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.15417E-03 ppm1      4.376 ppm2      3.896 CV     1
 ASSI {  436}
   (( segid "PROT" and resid 42   and name HA  ))
   (( segid "PROT" and resid 32   and name HA  ))
      4.900     3.000     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.40459E-04 ppm1      4.300 ppm2      3.830 CV     1
 ASSI {  437}
   (( segid "PROT" and resid 42   and name HA  ))
   (  segid "PROT" and resid 42   and name HB% )
      2.100     0.500     0.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.15733E-01 ppm1      4.298 ppm2      1.381 CV     1
 ASSI {  439}
   (( segid "PROT" and resid 82   and name HA  ))
   (( segid "PROT" and resid 81   and name HA1 ))
      6.000     6.000     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.12023E-04 ppm1      4.995 ppm2      3.722 CV     1
 ASSI {  440}
   (( segid "PROT" and resid 82   and name HA  ))
   (( segid "PROT" and resid 82   and name HB2 ))
      2.900     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.28468E-02 ppm1      4.997 ppm2      3.157 CV     1
 ASSI {  441}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 112  and name HE1 ))
      4.100     2.100     1.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.47773E-03 ppm1      4.370 ppm2      3.013 CV     1
 OR {  441}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 112  and name HE2 ))
 ASSI {  443}
   (( segid "PROT" and resid 82   and name HA  ))
   (( segid "PROT" and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.29704E-02 ppm1      4.996 ppm2      2.722 CV     1
 ASSI {  444}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 103  and name HG2 ))
      3.300     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.97716E-03 ppm1      4.376 ppm2      2.183 CV     1
 OR {  444}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI {  445}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 112  and name HB1 ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.11860E-02 ppm1      4.364 ppm2      1.899 CV     1
 ASSI {  446}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.23452E-02 ppm1      4.377 ppm2      1.737 CV     1
 OR {  446}
   (( segid "PROT" and resid 100  and name HA  ))
   (( segid "PROT" and resid 112  and name HD2 ))
 ASSI {  447}
   (( segid "PROT" and resid 100  and name HA  ))
   (  segid "PROT" and resid 100  and name HB% )
      2.100     0.500     0.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.12208E-01 ppm1      4.377 ppm2      1.545 CV     1
 ASSI {  450}
   (( segid "PROT" and resid 104  and name HA  ))
   (( segid "PROT" and resid 105  and name HA  ))
      5.700     4.000     0.300 peak   450 spectrum    1 weight  0.10000E+01 volume  0.45054E-04 ppm1      4.453 ppm2      4.867 CV     1
 ASSI {  461}
   (( segid "PROT" and resid 16   and name HD1 ))
   (( segid "PROT" and resid 16   and name HA  ))
      3.600     1.700     1.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.58387E-03 ppm1      3.623 ppm2      4.368 CV     1
 ASSI {  462}
   (( segid "PROT" and resid 16   and name HD2 ))
   (( segid "PROT" and resid 16   and name HD1 ))
      1.600     0.300     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.18099E-01 ppm1      3.518 ppm2      3.641 CV     1
 ASSI {  463}
   (( segid "PROT" and resid 16   and name HD1 ))
   (( segid "PROT" and resid 15   and name HB1 ))
      2.300     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.23542E-02 ppm1      3.634 ppm2      2.600 CV     1
 ASSI {  464}
   (( segid "PROT" and resid 16   and name HD1 ))
   (( segid "PROT" and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.53283E-02 ppm1      3.633 ppm2      2.227 CV     1
 ASSI {  465}
   (( segid "PROT" and resid 16   and name HD1 ))
   (( segid "PROT" and resid 16   and name HG2 ))
      2.800     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.39602E-02 ppm1      3.618 ppm2      1.987 CV     1
 ASSI {  466}
   (( segid "PROT" and resid 16   and name HD1 ))
   (( segid "PROT" and resid 18   and name HB  ))
      2.900     2.900     3.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.44436E-02 ppm1      3.634 ppm2      1.885 CV     1
 ASSI {  467}
   (( segid "PROT" and resid 20   and name HD1 ))
   (( segid "PROT" and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.15792E-02 ppm1      3.550 ppm2      4.866 CV     1
 ASSI {  468}
   (( segid "PROT" and resid 20   and name HD2 ))
   (( segid "PROT" and resid 17   and name HA  ))
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.82924E-03 ppm1      3.415 ppm2      4.861 CV     1
 ASSI {  472}
   (( segid "PROT" and resid 16   and name HD2 ))
   (( segid "PROT" and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.11276E-02 ppm1      3.549 ppm2      4.384 CV     1
 ASSI {  474}
   (( segid "PROT" and resid 20   and name HD2 ))
   (( segid "PROT" and resid 20   and name HD1 ))
      1.800     0.400     0.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      3.389 ppm2      3.551 CV     1
 ASSI {  476}
   (( segid "PROT" and resid 20   and name HD2 ))
   (( segid "PROT" and resid 19   and name HG1 ))
      5.000     3.100     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.24624E-03 ppm1      3.396 ppm2      2.781 CV     1
 ASSI {  477}
   (( segid "PROT" and resid 20   and name HD2 ))
   (( segid "PROT" and resid 20   and name HB1 ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.91228E-03 ppm1      3.399 ppm2      2.355 CV     1
 ASSI {  478}
   (( segid "PROT" and resid 20   and name HD1 ))
   (( segid "PROT" and resid 20   and name HB1 ))
      2.900     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.63376E-02 ppm1      3.564 ppm2      2.336 CV     1
 ASSI {  481}
   (( segid "PROT" and resid 16   and name HD2 ))
   (( segid "PROT" and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.30874E-02 ppm1      3.514 ppm2      1.987 CV     1
 ASSI {  482}
   (( segid "PROT" and resid 20   and name HD1 ))
   (( segid "PROT" and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.36398E-02 ppm1      3.546 ppm2      1.755 CV     1
 ASSI {  483}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 70   and name HA  ))
      3.400     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.68184E-03 ppm1      3.609 ppm2      4.403 CV     1
 ASSI {  484}
   (( segid "PROT" and resid 70   and name HD2 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      1.700     0.400     0.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.10688E-01 ppm1      3.699 ppm2      3.621 CV     1
 ASSI {  485}
   (( segid "PROT" and resid 70   and name HD2 ))
   (( segid "PROT" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.80505E-03 ppm1      3.673 ppm2      3.167 CV     1
 ASSI {  486}
   (( segid "PROT" and resid 70   and name HD2 ))
   (( segid "PROT" and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.71367E-03 ppm1      3.682 ppm2      2.815 CV     1
 ASSI {  487}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 69   and name HB2 ))
      2.000     0.500     0.500 peak   487 spectrum    1 weight  0.10000E+01 volume  0.65854E-02 ppm1      3.622 ppm2      2.209 CV     1
 ASSI {  488}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 73   and name HB2 ))
      2.800     2.800     3.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.36507E-02 ppm1      3.623 ppm2      1.974 CV     1
 OR {  488}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI {  489}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 70   and name HG1 ))
      2.000     0.500     0.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.72374E-02 ppm1      3.638 ppm2      1.935 CV     1
 ASSI {  492}
   (( segid "PROT" and resid 70   and name HD2 ))
   (( segid "PROT" and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.91023E-03 ppm1      3.684 ppm2      4.829 CV     1
 ASSI {  493}
   (( segid "PROT" and resid 70   and name HD1 ))
   (( segid "PROT" and resid 70   and name HB1 ))
      3.200     1.300     1.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.79273E-03 ppm1      3.637 ppm2      2.608 CV     1
 ASSI {  495}
   (( segid "PROT" and resid 48   and name HA1 ))
   (( segid "PROT" and resid 114  and name HA  ))
      3.100     3.100     2.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.41704E-02 ppm1      4.168 ppm2      3.707 CV     1
 ASSI {  496}
   (( segid "PROT" and resid 48   and name HA1 ))
   (( segid "PROT" and resid 111  and name HB2 ))
      3.700     1.700     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.49362E-03 ppm1      4.154 ppm2      2.830 CV     1
 OR {  496}
   (( segid "PROT" and resid 48   and name HA1 ))
   (( segid "PROT" and resid 111  and name HB1 ))
 ASSI {  502}
   (( segid "PROT" and resid 110  and name HA1 ))
   (( segid "PROT" and resid 113  and name HB1 ))
      3.900     1.900     1.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.38587E-03 ppm1      3.864 ppm2      2.841 CV     1
 OR {  502}
   (( segid "PROT" and resid 110  and name HA1 ))
   (( segid "PROT" and resid 113  and name HB2 ))
 OR {  502}
   (( segid "PROT" and resid 110  and name HA2 ))
   (( segid "PROT" and resid 113  and name HB1 ))
 OR {  502}
   (( segid "PROT" and resid 110  and name HA2 ))
   (( segid "PROT" and resid 113  and name HB2 ))
 ASSI {  504}
   (( segid "PROT" and resid 110  and name HA2 ))
   (  segid "PROT" and resid 52   and name HB% )
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      3.873 ppm2      1.428 CV     1
 OR {  504}
   (( segid "PROT" and resid 110  and name HA1 ))
   (  segid "PROT" and resid 52   and name HB% )
 ASSI {  505}
   (( segid "PROT" and resid 110  and name HA1 ))
   (  segid "PROT" and resid 109  and name HG2%)
      3.600     1.700     1.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.55432E-03 ppm1      3.879 ppm2      0.835 CV     1
 OR {  505}
   (( segid "PROT" and resid 110  and name HA2 ))
   (  segid "PROT" and resid 109  and name HG2%)
 ASSI {  508}
   (( segid "PROT" and resid 63   and name HA2 ))
   (( segid "PROT" and resid 63   and name HA1 ))
      1.900     0.500     0.500 peak   508 spectrum    1 weight  0.10000E+01 volume  0.10529E-01 ppm1      3.663 ppm2      4.197 CV     1
 ASSI {  510}
   (( segid "PROT" and resid 63   and name HA1 ))
   (( segid "PROT" and resid 62   and name HB2 ))
      6.000     4.700     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.25034E-04 ppm1      4.178 ppm2      1.827 CV     1
 OR {  510}
   (( segid "PROT" and resid 63   and name HA1 ))
   (( segid "PROT" and resid 62   and name HB1 ))
 ASSI {  511}
   (( segid "PROT" and resid 63   and name HA2 ))
   (( segid "PROT" and resid 61   and name HG  ))
      6.000     6.000     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.92447E-05 ppm1      3.670 ppm2      1.396 CV     1
 ASSI {  512}
   (( segid "PROT" and resid 63   and name HA1 ))
   (  segid "PROT" and resid 64   and name HG2%)
      5.500     3.700     0.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.58320E-04 ppm1      4.198 ppm2      1.123 CV     1
 ASSI {  513}
   (( segid "PROT" and resid 63   and name HA2 ))
   (  segid "PROT" and resid 64   and name HG2%)
      5.400     3.600     0.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.55896E-04 ppm1      3.660 ppm2      1.116 CV     1
 ASSI {  514}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      1.420 ppm2      4.549 CV     1
 ASSI {  515}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.300     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.57306E-03 ppm1      0.943 ppm2      4.542 CV     1
 ASSI {  516}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 52   and name HA  ))
      6.000     5.000     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.39558E-04 ppm1      0.954 ppm2      4.134 CV     1
 ASSI {  517}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 52   and name HA  ))
      4.400     2.400     1.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.32673E-03 ppm1      1.412 ppm2      4.106 CV     1
 ASSI {  518}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 55   and name HA  ))
      6.000     5.700     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.32178E-04 ppm1      1.416 ppm2      3.773 CV     1
 ASSI {  520}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 55   and name HG2 ))
      5.500     3.800     0.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.60716E-04 ppm1      1.417 ppm2      2.786 CV     1
 ASSI {  521}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 55   and name HG2 ))
      6.000     6.000     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.96574E-05 ppm1      0.931 ppm2      2.747 CV     1
 ASSI {  522}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 60   and name HG2 ))
      5.600     4.000     0.400 peak   522 spectrum    1 weight  0.10000E+01 volume  0.36075E-04 ppm1      1.442 ppm2      2.401 CV     1
 OR {  522}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  523}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 60   and name HG2 ))
      6.000     5.300     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.28314E-04 ppm1      0.926 ppm2      2.391 CV     1
 OR {  523}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  524}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 55   and name HB1 ))
      2.600     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      1.415 ppm2      2.217 CV     1
 ASSI {  526}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.24751E-02 ppm1      1.419 ppm2      1.945 CV     1
 ASSI {  527}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.34851E-02 ppm1      0.949 ppm2      1.939 CV     1
 ASSI {  528}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 56   and name HG1 ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      1.424 ppm2      1.813 CV     1
 ASSI {  529}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 56   and name HD1 ))
      4.900     3.000     1.100 peak   529 spectrum    1 weight  0.10000E+01 volume  0.36493E-03 ppm1      1.420 ppm2      1.737 CV     1
 OR {  529}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 56   and name HD2 ))
 ASSI {  530}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 56   and name HG2 ))
      4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.57290E-03 ppm1      1.438 ppm2      1.530 CV     1
 ASSI {  532}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 61   and name HB1 ))
      1.900     0.400     0.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.78592E-02 ppm1      1.422 ppm2      0.954 CV     1
 ASSI {  533}
   (( segid "PROT" and resid 61   and name HB2 ))
   (  segid "PROT" and resid 61   and name HD1%)
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      1.423 ppm2      0.871 CV     1
 ASSI {  534}
   (( segid "PROT" and resid 61   and name HB2 ))
   (  segid "PROT" and resid 61   and name HD2%)
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.15054E-02 ppm1      1.418 ppm2      0.704 CV     1
 ASSI {  535}
   (( segid "PROT" and resid 61   and name HB1 ))
   (  segid "PROT" and resid 61   and name HD2%)
      2.600     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.32434E-02 ppm1      0.946 ppm2      0.705 CV     1
 ASSI {  536}
   (( segid "PROT" and resid 61   and name HB2 ))
   (  segid "PROT" and resid 66   and name HD2%)
      3.400     3.400     2.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.73427E-03 ppm1      1.428 ppm2      0.583 CV     1
 ASSI {  537}
   (( segid "PROT" and resid 61   and name HB1 ))
   (  segid "PROT" and resid 66   and name HD2%)
      3.400     3.400     2.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17364E-02 ppm1      0.951 ppm2      0.580 CV     1
 ASSI {  538}
   (( segid "PROT" and resid 66   and name HB2 ))
   (( segid "PROT" and resid 65   and name HA  ))
      6.000     6.000     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.85838E-05 ppm1      1.574 ppm2      4.411 CV     1
 ASSI {  539}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 65   and name HA  ))
      6.000     6.000     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.86672E-05 ppm1      0.928 ppm2      4.390 CV     1
 ASSI {  540}
   (( segid "PROT" and resid 41   and name HA1 ))
   (( segid "PROT" and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.27976E-03 ppm1      3.929 ppm2      4.314 CV     1
 ASSI {  541}
   (( segid "PROT" and resid 66   and name HB2 ))
   (( segid "PROT" and resid 97   and name HA  ))
      5.300     3.500     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.74242E-04 ppm1      1.573 ppm2      3.869 CV     1
 ASSI {  542}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 97   and name HA  ))
      6.000     6.000     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.96837E-05 ppm1      0.935 ppm2      3.858 CV     1
 ASSI {  543}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 60   and name HG2 ))
      6.000     4.600     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.30933E-04 ppm1      0.963 ppm2      2.409 CV     1
 OR {  543}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI {  544}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 97   and name HG11))
      4.800     2.900     1.200 peak   544 spectrum    1 weight  0.10000E+01 volume  0.11164E-03 ppm1      0.949 ppm2      2.037 CV     1
 ASSI {  546}
   (( segid "PROT" and resid 66   and name HB2 ))
   (( segid "PROT" and resid 66   and name HG  ))
      2.300     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.62586E-02 ppm1      1.568 ppm2      1.475 CV     1
 ASSI {  547}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 66   and name HG  ))
      2.600     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.40876E-02 ppm1      0.945 ppm2      1.469 CV     1
 ASSI {  548}
   (( segid "PROT" and resid 41   and name HA1 ))
   (  segid "PROT" and resid 42   and name HB% )
      5.200     3.400     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.15527E-03 ppm1      3.931 ppm2      1.374 CV     1
 ASSI {  549}
   (( segid "PROT" and resid 66   and name HB2 ))
   (  segid "PROT" and resid 60   and name HE% )
      5.500     3.800     0.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.11134E-03 ppm1      1.569 ppm2      1.230 CV     1
 ASSI {  550}
   (( segid "PROT" and resid 66   and name HB1 ))
   (  segid "PROT" and resid 60   and name HE% )
      4.100     2.100     1.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.23010E-03 ppm1      0.937 ppm2      1.222 CV     1
 ASSI {  551}
   (( segid "PROT" and resid 66   and name HB2 ))
   (( segid "PROT" and resid 66   and name HB1 ))
      1.700     0.300     0.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.20229E-01 ppm1      1.577 ppm2      0.946 CV     1
 ASSI {  552}
   (( segid "PROT" and resid 66   and name HB2 ))
   (  segid "PROT" and resid 66   and name HD1%)
      2.400     0.700     0.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.67920E-02 ppm1      1.577 ppm2      0.760 CV     1
 ASSI {  553}
   (( segid "PROT" and resid 66   and name HB1 ))
   (  segid "PROT" and resid 66   and name HD1%)
      2.600     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.46254E-02 ppm1      0.940 ppm2      0.757 CV     1
 ASSI {  555}
   (( segid "PROT" and resid 66   and name HB2 ))
   (  segid "PROT" and resid 66   and name HD2%)
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.21710E-02 ppm1      1.579 ppm2      0.579 CV     1
 ASSI {  556}
   (( segid "PROT" and resid 102  and name HA2 ))
   (( segid "PROT" and resid 102  and name HA1 ))
      1.800     0.400     0.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.15122E-01 ppm1      3.765 ppm2      4.176 CV     1
 ASSI {  558}
   (( segid "PROT" and resid 81   and name HA1 ))
   (  segid "PROT" and resid 80   and name HB% )
      4.300     2.300     1.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.34059E-03 ppm1      3.721 ppm2      1.530 CV     1
 ASSI {  561}
   (( segid "PROT" and resid 17   and name HB2 ))
   (( segid "PROT" and resid 14   and name HA  ))
      4.600     2.600     1.400 peak   561 spectrum    1 weight  0.10000E+01 volume  0.19158E-03 ppm1      2.541 ppm2      4.568 CV     1
 OR {  561}
   (( segid "PROT" and resid 17   and name HB1 ))
   (( segid "PROT" and resid 14   and name HA  ))
 ASSI {  563}
   (( segid "PROT" and resid 81   and name HA2 ))
   (( segid "PROT" and resid 81   and name HA1 ))
      1.900     0.400     0.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13233E-01 ppm1      4.336 ppm2      3.716 CV     1
 ASSI {  564}
   (( segid "PROT" and resid 17   and name HB1 ))
   (( segid "PROT" and resid 57   and name HD1 ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.12924E-02 ppm1      2.533 ppm2      3.602 CV     1
 OR {  564}
   (( segid "PROT" and resid 17   and name HB2 ))
   (( segid "PROT" and resid 57   and name HD1 ))
 ASSI {  565}
   (( segid "PROT" and resid 17   and name HB1 ))
   (( segid "PROT" and resid 57   and name HD2 ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.32530E-02 ppm1      2.547 ppm2      3.427 CV     1
 OR {  565}
   (( segid "PROT" and resid 17   and name HB2 ))
   (( segid "PROT" and resid 57   and name HD2 ))
 ASSI {  567}
   (( segid "PROT" and resid 17   and name HB2 ))
   (( segid "PROT" and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.90375E-03 ppm1      2.550 ppm2      2.050 CV     1
 OR {  567}
   (( segid "PROT" and resid 17   and name HB1 ))
   (( segid "PROT" and resid 14   and name HB2 ))
 ASSI {  569}
   (( segid "PROT" and resid 81   and name HA2 ))
   (  segid "PROT" and resid 80   and name HB% )
      4.500     2.500     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.24001E-03 ppm1      4.342 ppm2      1.531 CV     1
 ASSI {  570}
   (( segid "PROT" and resid 17   and name HB2 ))
   (  segid "PROT" and resid 14   and name HD1%)
      4.200     2.200     1.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.36975E-03 ppm1      2.561 ppm2      1.129 CV     1
 OR {  570}
   (( segid "PROT" and resid 17   and name HB1 ))
   (  segid "PROT" and resid 14   and name HD1%)
 ASSI {  571}
   (( segid "PROT" and resid 17   and name HB2 ))
   (  segid "PROT" and resid 14   and name HD2%)
      2.400     2.400     3.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.62764E-02 ppm1      2.556 ppm2      0.968 CV     1
 OR {  571}
   (( segid "PROT" and resid 17   and name HB1 ))
   (  segid "PROT" and resid 14   and name HD2%)
 ASSI {  573}
   (( segid "PROT" and resid 107  and name HB1 ))
   (( segid "PROT" and resid 107  and name HB2 ))
      2.100     0.500     0.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.67574E-02 ppm1      2.824 ppm2      3.794 CV     1
 ASSI {  575}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 57   and name HA  ))
      4.600     2.600     1.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.27331E-03 ppm1      3.607 ppm2      4.067 CV     1
 ASSI {  576}
   (( segid "PROT" and resid 57   and name HD2 ))
   (( segid "PROT" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.39568E-03 ppm1      3.432 ppm2      4.067 CV     1
 ASSI {  578}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 57   and name HD2 ))
      1.800     0.400     0.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.96388E-02 ppm1      3.612 ppm2      3.434 CV     1
 ASSI {  581}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 20   and name HB1 ))
      5.800     4.200     0.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.52461E-04 ppm1      3.593 ppm2      2.369 CV     1
 ASSI {  582}
   (( segid "PROT" and resid 57   and name HD2 ))
   (( segid "PROT" and resid 20   and name HB1 ))
      6.000     6.000     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.10274E-04 ppm1      3.437 ppm2      2.360 CV     1
 ASSI {  583}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 57   and name HG1 ))
      2.400     0.700     0.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.45883E-02 ppm1      3.609 ppm2      2.116 CV     1
 OR {  583}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 57   and name HB1 ))
 ASSI {  584}
   (( segid "PROT" and resid 57   and name HD2 ))
   (( segid "PROT" and resid 57   and name HG1 ))
      2.600     0.900     0.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.45226E-02 ppm1      3.428 ppm2      2.116 CV     1
 OR {  584}
   (( segid "PROT" and resid 57   and name HD2 ))
   (( segid "PROT" and resid 57   and name HB1 ))
 ASSI {  585}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 20   and name HB2 ))
      3.700     1.700     1.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.43134E-03 ppm1      3.608 ppm2      1.763 CV     1
 ASSI {  586}
   (( segid "PROT" and resid 57   and name HD2 ))
   (( segid "PROT" and resid 20   and name HB2 ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16131E-03 ppm1      3.419 ppm2      1.754 CV     1
 ASSI {  587}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 57   and name HG2 ))
      2.800     1.000     1.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      3.605 ppm2      1.594 CV     1
 ASSI {  593}
   (( segid "PROT" and resid 14   and name HB2 ))
   (( segid "PROT" and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   593 spectrum    1 weight  0.10000E+01 volume  0.18499E-02 ppm1      2.063 ppm2      4.570 CV     1
 ASSI {  594}
   (( segid "PROT" and resid 14   and name HB1 ))
   (( segid "PROT" and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.22383E-02 ppm1      1.608 ppm2      4.571 CV     1
 ASSI {  596}
   (( segid "PROT" and resid 14   and name HB1 ))
   (( segid "PROT" and resid 11   and name HA  ))
      6.000     5.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.26847E-04 ppm1      1.623 ppm2      4.335 CV     1
 ASSI {  597}
   (( segid "PROT" and resid 14   and name HB2 ))
   (( segid "PROT" and resid 14   and name HG  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.20275E-02 ppm1      2.067 ppm2      2.294 CV     1
 ASSI {  598}
   (( segid "PROT" and resid 14   and name HB1 ))
   (( segid "PROT" and resid 14   and name HG  ))
      3.100     1.200     1.200 peak   598 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      1.608 ppm2      2.294 CV     1
 ASSI {  600}
   (( segid "PROT" and resid 14   and name HB1 ))
   (( segid "PROT" and resid 18   and name HG11))
      2.600     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.25280E-02 ppm1      1.618 ppm2      1.841 CV     1
 ASSI {  601}
   (( segid "PROT" and resid 14   and name HB2 ))
   (( segid "PROT" and resid 18   and name HG11))
      3.400     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.63326E-03 ppm1      2.063 ppm2      1.827 CV     1
 ASSI {  602}
   (( segid "PROT" and resid 14   and name HB2 ))
   (( segid "PROT" and resid 14   and name HB1 ))
      1.900     0.400     0.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.80941E-02 ppm1      2.065 ppm2      1.617 CV     1
 ASSI {  603}
   (( segid "PROT" and resid 14   and name HB2 ))
   (  segid "PROT" and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.17621E-02 ppm1      2.067 ppm2      1.133 CV     1
 ASSI {  604}
   (( segid "PROT" and resid 14   and name HB1 ))
   (  segid "PROT" and resid 14   and name HD1%)
      2.900     1.000     1.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.25616E-02 ppm1      1.608 ppm2      1.135 CV     1
 ASSI {  606}
   (( segid "PROT" and resid 14   and name HB1 ))
   (  segid "PROT" and resid 14   and name HD2%)
      2.300     0.700     0.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.60058E-02 ppm1      1.612 ppm2      0.960 CV     1
 ASSI {  607}
   (( segid "PROT" and resid 14   and name HB1 ))
   (( segid "PROT" and resid 18   and name HG12))
      3.800     1.800     1.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.58703E-03 ppm1      1.618 ppm2      0.852 CV     1
 ASSI {  610}
   (( segid "PROT" and resid 105  and name HB1 ))
   (( segid "PROT" and resid 105  and name HB2 ))
      1.800     0.400     0.400 peak   610 spectrum    1 weight  0.10000E+01 volume  0.14184E-01 ppm1      2.609 ppm2      2.945 CV     1
 ASSI {  612}
   (( segid "PROT" and resid 121  and name HB1 ))
   (( segid "PROT" and resid 121  and name HA  ))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.46153E-02 ppm1      1.330 ppm2      3.766 CV     1
 ASSI {  613}
   (( segid "PROT" and resid 121  and name HB2 ))
   (( segid "PROT" and resid 121  and name HA  ))
      2.300     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.52865E-02 ppm1      1.087 ppm2      3.761 CV     1
 ASSI {  615}
   (( segid "PROT" and resid 121  and name HB2 ))
   (( segid "PROT" and resid 121  and name HB1 ))
      1.600     0.300     0.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.19186E-01 ppm1      1.078 ppm2      1.317 CV     1
 ASSI {  616}
   (( segid "PROT" and resid 121  and name HB1 ))
   (( segid "PROT" and resid 121  and name HG  ))
      1.900     0.500     0.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14465E-01 ppm1      1.330 ppm2      1.122 CV     1
 ASSI {  617}
   (( segid "PROT" and resid 121  and name HB1 ))
   (  segid "PROT" and resid 121  and name HD2%)
      3.100     1.200     1.200 peak   617 spectrum    1 weight  0.10000E+01 volume  0.11066E-02 ppm1      1.335 ppm2      0.732 CV     1
 ASSI {  620}
   (( segid "PROT" and resid 121  and name HB1 ))
   (  segid "PROT" and resid 92   and name HD1%)
      4.200     2.200     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.78990E-03 ppm1      1.326 ppm2      0.507 CV     1
 ASSI {  621}
   (( segid "PROT" and resid 121  and name HB2 ))
   (  segid "PROT" and resid 92   and name HD1%)
      3.300     1.400     1.400 peak   621 spectrum    1 weight  0.10000E+01 volume  0.67266E-03 ppm1      1.089 ppm2      0.514 CV     1
 ASSI {  622}
   (( segid "PROT" and resid 88   and name HB2 ))
   (( segid "PROT" and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.80133E-02 ppm1      1.876 ppm2      4.351 CV     1
 ASSI {  623}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 116  and name HA  ))
      3.800     1.800     1.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.20370E-03 ppm1      2.868 ppm2      4.141 CV     1
 OR {  623}
   (( segid "PROT" and resid 120  and name HE1 ))
   (( segid "PROT" and resid 116  and name HA  ))
 ASSI {  624}
   (( segid "PROT" and resid 88   and name HB1 ))
   (( segid "PROT" and resid 88   and name HA  ))
      2.400     0.700     0.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.85433E-02 ppm1      1.770 ppm2      4.048 CV     1
 ASSI {  625}
   (( segid "PROT" and resid 120  and name HE1 ))
   (( segid "PROT" and resid 120  and name HA  ))
      4.100     2.100     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.29371E-03 ppm1      2.864 ppm2      4.010 CV     1
 OR {  625}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 120  and name HA  ))
 ASSI {  626}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 95   and name HB2 ))
      3.300     1.400     1.400 peak   626 spectrum    1 weight  0.10000E+01 volume  0.10151E-02 ppm1      2.850 ppm2      2.198 CV     1
 ASSI {  627}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 95   and name HB1 ))
      3.600     1.600     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.46699E-03 ppm1      2.841 ppm2      2.006 CV     1
 ASSI {  631}
   (( segid "PROT" and resid 88   and name HB2 ))
   (( segid "PROT" and resid 88   and name HB1 ))
      1.800     0.400     0.400 peak   631 spectrum    1 weight  0.10000E+01 volume  0.10433E-01 ppm1      1.893 ppm2      1.776 CV     1
 ASSI {  632}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 120  and name HD1 ))
      2.000     0.500     0.500 peak   632 spectrum    1 weight  0.10000E+01 volume  0.14951E-01 ppm1      2.850 ppm2      1.588 CV     1
 OR {  632}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 120  and name HD2 ))
 OR {  632}
   (( segid "PROT" and resid 120  and name HE2 ))
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI {  633}
   (( segid "PROT" and resid 88   and name HB2 ))
   (( segid "PROT" and resid 88   and name HG  ))
      2.400     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.53098E-02 ppm1      1.860 ppm2      1.469 CV     1
 ASSI {  634}
   (( segid "PROT" and resid 88   and name HB1 ))
   (( segid "PROT" and resid 88   and name HG  ))
      2.300     0.700     0.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.56908E-02 ppm1      1.795 ppm2      1.471 CV     1
 ASSI {  639}
   (( segid "PROT" and resid 88   and name HB2 ))
   (  segid "PROT" and resid 89   and name HG2%)
      3.700     1.700     1.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.24067E-02 ppm1      1.865 ppm2      0.496 CV     1
 ASSI {  640}
   (( segid "PROT" and resid 25   and name HB2 ))
   (( segid "PROT" and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.50428E-02 ppm1      1.651 ppm2      4.246 CV     1
 OR {  640}
   (( segid "PROT" and resid 25   and name HB1 ))
   (( segid "PROT" and resid 25   and name HA  ))
 ASSI {  641}
   (( segid "PROT" and resid 25   and name HB1 ))
   (( segid "PROT" and resid 22   and name HA  ))
      3.400     1.400     1.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      1.639 ppm2      3.847 CV     1
 OR {  641}
   (( segid "PROT" and resid 25   and name HB2 ))
   (( segid "PROT" and resid 22   and name HA  ))
 ASSI {  643}
   (( segid "PROT" and resid 25   and name HB2 ))
   (( segid "PROT" and resid 27   and name HG12))
      3.300     1.300     1.300 peak   643 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      1.642 ppm2      1.112 CV     1
 OR {  643}
   (( segid "PROT" and resid 25   and name HB1 ))
   (( segid "PROT" and resid 27   and name HG12))
 ASSI {  645}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 103  and name HA  ))
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.30413E-03 ppm1      3.016 ppm2      4.403 CV     1
 ASSI {  647}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 103  and name HG2 ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.22419E-03 ppm1      3.021 ppm2      2.192 CV     1
 ASSI {  648}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 103  and name HB2 ))
      3.700     3.700     2.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.60936E-03 ppm1      3.045 ppm2      1.967 CV     1
 ASSI {  649}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 101  and name HB1 ))
      3.500     1.600     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.99243E-03 ppm1      3.016 ppm2      1.910 CV     1
 OR {  649}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 101  and name HB2 ))
 ASSI {  650}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 101  and name HD2 ))
      2.000     0.500     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.17272E-01 ppm1      3.003 ppm2      1.756 CV     1
 OR {  650}
   (( segid "PROT" and resid 101  and name HE1 ))
   (( segid "PROT" and resid 101  and name HD1 ))
 ASSI {  652}
   (( segid "PROT" and resid 9    and name HE1 ))
   (( segid "PROT" and resid 9    and name HD2 ))
      1.900     0.400     0.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.26283E-01 ppm1      2.986 ppm2      1.735 CV     1
 OR {  652}
   (( segid "PROT" and resid 9    and name HE2 ))
   (( segid "PROT" and resid 9    and name HD1 ))
 OR {  652}
   (( segid "PROT" and resid 9    and name HE1 ))
   (( segid "PROT" and resid 9    and name HD1 ))
 OR {  652}
   (( segid "PROT" and resid 9    and name HE2 ))
   (( segid "PROT" and resid 9    and name HD2 ))
 ASSI {  657}
   (( segid "PROT" and resid 56   and name HE1 ))
   (( segid "PROT" and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.20927E-02 ppm1      2.948 ppm2      4.195 CV     1
 ASSI {  658}
   (( segid "PROT" and resid 56   and name HE2 ))
   (( segid "PROT" and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.10931E-02 ppm1      2.769 ppm2      4.196 CV     1
 ASSI {  660}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 59   and name HA  ))
      3.400     1.400     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.84663E-03 ppm1      2.682 ppm2      3.776 CV     1
 OR {  660}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 59   and name HA  ))
 ASSI {  661}
   (( segid "PROT" and resid 56   and name HE1 ))
   (( segid "PROT" and resid 56   and name HE2 ))
      1.500     0.300     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.28914E-01 ppm1      2.928 ppm2      2.795 CV     1
 ASSI {  664}
   (( segid "PROT" and resid 56   and name HE1 ))
   (( segid "PROT" and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak   664 spectrum    1 weight  0.10000E+01 volume  0.68415E-03 ppm1      2.933 ppm2      2.039 CV     1
 ASSI {  665}
   (( segid "PROT" and resid 56   and name HE2 ))
   (( segid "PROT" and resid 56   and name HB2 ))
      4.000     2.000     2.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.40817E-03 ppm1      2.788 ppm2      2.037 CV     1
 ASSI {  666}
   (( segid "PROT" and resid 56   and name HE2 ))
   (( segid "PROT" and resid 56   and name HB1 ))
      4.000     2.000     2.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.68158E-03 ppm1      2.781 ppm2      2.002 CV     1
 ASSI {  668}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.79613E-03 ppm1      2.695 ppm2      1.830 CV     1
 OR {  668}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HB2 ))
 OR {  668}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HB1 ))
 OR {  668}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HB1 ))
 ASSI {  670}
   (( segid "PROT" and resid 56   and name HE2 ))
   (( segid "PROT" and resid 56   and name HD1 ))
      2.800     1.000     1.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      2.773 ppm2      1.730 CV     1
 OR {  670}
   (( segid "PROT" and resid 56   and name HE2 ))
   (( segid "PROT" and resid 56   and name HD2 ))
 ASSI {  671}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HD1 ))
      2.600     0.800     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.33460E-02 ppm1      2.695 ppm2      1.535 CV     1
 OR {  671}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HD1 ))
 ASSI {  672}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HD2 ))
      2.500     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.42946E-02 ppm1      2.686 ppm2      1.429 CV     1
 OR {  672}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HD2 ))
 ASSI {  673}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HG1 ))
      3.100     1.200     1.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.24723E-02 ppm1      2.685 ppm2      1.289 CV     1
 OR {  673}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HG1 ))
 ASSI {  674}
   (( segid "PROT" and resid 62   and name HE1 ))
   (( segid "PROT" and resid 62   and name HG2 ))
      2.800     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.24574E-02 ppm1      2.685 ppm2      1.179 CV     1
 OR {  674}
   (( segid "PROT" and resid 62   and name HE2 ))
   (( segid "PROT" and resid 62   and name HG2 ))
 ASSI {  676}
   (( segid "PROT" and resid 47   and name HB1 ))
   (( segid "PROT" and resid 44   and name HA  ))
      3.500     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.57519E-03 ppm1      1.972 ppm2      4.510 CV     1
 ASSI {  677}
   (( segid "PROT" and resid 47   and name HB2 ))
   (( segid "PROT" and resid 44   and name HA  ))
      4.800     2.800     1.200 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10171E-03 ppm1      1.597 ppm2      4.510 CV     1
 ASSI {  678}
   (( segid "PROT" and resid 21   and name HB2 ))
   (( segid "PROT" and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      3.266 ppm2      4.426 CV     1
 ASSI {  680}
   (( segid "PROT" and resid 47   and name HB2 ))
   (( segid "PROT" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.34237E-02 ppm1      1.573 ppm2      4.208 CV     1
 ASSI {  681}
   (( segid "PROT" and resid 90   and name HE1 ))
   (( segid "PROT" and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.87936E-03 ppm1      2.192 ppm2      3.889 CV     1
 OR {  681}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 90   and name HA  ))
 ASSI {  682}
   (( segid "PROT" and resid 90   and name HE1 ))
   (( segid "PROT" and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.18410E-02 ppm1      2.226 ppm2      3.665 CV     1
 ASSI {  684}
   (( segid "PROT" and resid 21   and name HB2 ))
   (( segid "PROT" and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   684 spectrum    1 weight  0.10000E+01 volume  0.42405E-03 ppm1      3.268 ppm2      3.553 CV     1
 ASSI {  685}
   (( segid "PROT" and resid 21   and name HB1 ))
   (( segid "PROT" and resid 21   and name HB2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.87686E-02 ppm1      2.765 ppm2      3.280 CV     1
 ASSI {  686}
   (( segid "PROT" and resid 90   and name HE1 ))
   (( segid "PROT" and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.21155E-02 ppm1      2.224 ppm2      3.176 CV     1
 ASSI {  689}
   (( segid "PROT" and resid 47   and name HB1 ))
   (( segid "PROT" and resid 44   and name HG1 ))
      4.800     2.900     1.200 peak   689 spectrum    1 weight  0.10000E+01 volume  0.16090E-03 ppm1      1.976 ppm2      2.748 CV     1
 ASSI {  690}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 76   and name HG1 ))
      3.500     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.11808E-02 ppm1      2.181 ppm2      2.559 CV     1
 ASSI {  692}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 90   and name HG1 ))
      2.600     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.42396E-02 ppm1      2.178 ppm2      1.835 CV     1
 ASSI {  693}
   (( segid "PROT" and resid 47   and name HB2 ))
   (( segid "PROT" and resid 47   and name HG  ))
      2.300     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.72425E-02 ppm1      1.608 ppm2      1.751 CV     1
 ASSI {  694}
   (( segid "PROT" and resid 47   and name HB1 ))
   (( segid "PROT" and resid 47   and name HB2 ))
      1.900     0.400     0.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.92037E-02 ppm1      1.968 ppm2      1.581 CV     1
 ASSI {  695}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 90   and name HD1 ))
      2.600     0.800     0.800 peak   695 spectrum    1 weight  0.10000E+01 volume  0.25779E-02 ppm1      2.173 ppm2      1.227 CV     1
 ASSI {  698}
   (( segid "PROT" and resid 90   and name HE2 ))
   (  segid "PROT" and resid 86   and name HG2%)
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      2.168 ppm2      1.014 CV     1
 ASSI {  700}
   (( segid "PROT" and resid 47   and name HB1 ))
   (  segid "PROT" and resid 47   and name HD1%)
      2.800     1.000     1.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.47755E-02 ppm1      1.957 ppm2      0.950 CV     1
 ASSI {  701}
   (( segid "PROT" and resid 47   and name HB2 ))
   (  segid "PROT" and resid 47   and name HD1%)
      2.400     0.700     0.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.50741E-02 ppm1      1.584 ppm2      0.945 CV     1
 ASSI {  702}
   (( segid "PROT" and resid 21   and name HB2 ))
   (  segid "PROT" and resid 50   and name HD1%)
      3.000     1.100     1.100 peak   702 spectrum    1 weight  0.10000E+01 volume  0.22406E-02 ppm1      3.268 ppm2      0.926 CV     1
 ASSI {  704}
   (( segid "PROT" and resid 47   and name HB1 ))
   (  segid "PROT" and resid 47   and name HD2%)
      2.900     1.100     1.100 peak   704 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      1.947 ppm2      0.873 CV     1
 ASSI {  705}
   (( segid "PROT" and resid 47   and name HB2 ))
   (  segid "PROT" and resid 47   and name HD2%)
      2.900     1.000     1.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.34284E-02 ppm1      1.586 ppm2      0.872 CV     1
 ASSI {  706}
   (( segid "PROT" and resid 21   and name HB1 ))
   (  segid "PROT" and resid 18   and name HG2%)
      4.100     2.100     1.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.46134E-03 ppm1      2.762 ppm2      0.812 CV     1
 OR {  706}
   (( segid "PROT" and resid 21   and name HB1 ))
   (( segid "PROT" and resid 18   and name HG12))
 ASSI {  708}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      2.400     0.700     0.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.70590E-02 ppm1      2.158 ppm2      0.803 CV     1
 ASSI {  709}
   (( segid "PROT" and resid 90   and name HE1 ))
   (( segid "PROT" and resid 90   and name HG2 ))
      2.700     0.900     0.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.24302E-02 ppm1      2.194 ppm2      0.714 CV     1
 OR {  709}
   (( segid "PROT" and resid 90   and name HE2 ))
   (( segid "PROT" and resid 90   and name HG2 ))
 ASSI {  710}
   (( segid "PROT" and resid 43   and name HB1 ))
   (( segid "PROT" and resid 43   and name HA  ))
      2.200     0.600     0.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13019E-01 ppm1      2.720 ppm2      4.608 CV     1
 ASSI {  712}
   (( segid "PROT" and resid 2    and name HB2 ))
   (( segid "PROT" and resid 5    and name HB  ))
      3.600     1.600     1.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.88295E-03 ppm1      2.908 ppm2      4.299 CV     1
 OR {  712}
   (( segid "PROT" and resid 2    and name HB2 ))
   (( segid "PROT" and resid 5    and name HA  ))
 ASSI {  716}
   (( segid "PROT" and resid 2    and name HB1 ))
   (( segid "PROT" and resid 2    and name HB2 ))
      1.800     0.400     0.400 peak   716 spectrum    1 weight  0.10000E+01 volume  0.15370E-01 ppm1      2.694 ppm2      2.916 CV     1
 ASSI {  717}
   (( segid "PROT" and resid 2    and name HB2 ))
   (  segid "PROT" and resid 5    and name HG2%)
      4.000     2.000     2.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.30946E-03 ppm1      2.921 ppm2      1.260 CV     1
 ASSI {  720}
   (( segid "PROT" and resid 50   and name HB1 ))
   (( segid "PROT" and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      2.287 ppm2      4.209 CV     1
 ASSI {  721}
   (( segid "PROT" and resid 50   and name HB2 ))
   (( segid "PROT" and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.78137E-03 ppm1      1.540 ppm2      4.210 CV     1
 ASSI {  722}
   (( segid "PROT" and resid 50   and name HB1 ))
   (( segid "PROT" and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.15394E-02 ppm1      2.280 ppm2      3.978 CV     1
 ASSI {  723}
   (( segid "PROT" and resid 50   and name HB2 ))
   (( segid "PROT" and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      1.535 ppm2      3.980 CV     1
 ASSI {  724}
   (( segid "PROT" and resid 50   and name HB2 ))
   (( segid "PROT" and resid 53   and name HB1 ))
      6.000     6.000     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.90169E-05 ppm1      1.562 ppm2      3.581 CV     1
 ASSI {  728}
   (( segid "PROT" and resid 50   and name HB1 ))
   (( segid "PROT" and resid 50   and name HB2 ))
      1.800     0.400     0.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.10329E-01 ppm1      2.280 ppm2      1.544 CV     1
 ASSI {  729}
   (( segid "PROT" and resid 4    and name HB2 ))
   (  segid "PROT" and resid 5    and name HG2%)
      3.500     1.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12362E-02 ppm1      2.742 ppm2      1.255 CV     1
 OR {  729}
   (( segid "PROT" and resid 4    and name HB1 ))
   (  segid "PROT" and resid 5    and name HG2%)
 ASSI {  730}
   (( segid "PROT" and resid 50   and name HB1 ))
   (  segid "PROT" and resid 50   and name HD2%)
      2.600     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.52768E-02 ppm1      2.275 ppm2      0.950 CV     1
 ASSI {  731}
   (( segid "PROT" and resid 50   and name HB2 ))
   (  segid "PROT" and resid 50   and name HD2%)
      2.300     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.10220E-01 ppm1      1.533 ppm2      0.944 CV     1
 OR {  731}
   (( segid "PROT" and resid 50   and name HB2 ))
   (  segid "PROT" and resid 50   and name HD1%)
 ASSI {  732}
   (( segid "PROT" and resid 50   and name HB1 ))
   (  segid "PROT" and resid 25   and name HD1%)
      3.200     3.200     2.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.26414E-02 ppm1      2.281 ppm2      0.819 CV     1
 ASSI {  735}
   (( segid "PROT" and resid 67   and name HB2 ))
   (( segid "PROT" and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.39005E-02 ppm1      2.804 ppm2      4.560 CV     1
 ASSI {  738}
   (( segid "PROT" and resid 67   and name HB2 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      5.300     3.600     0.700 peak   738 spectrum    1 weight  0.10000E+01 volume  0.15988E-03 ppm1      2.815 ppm2      3.628 CV     1
 ASSI {  739}
   (( segid "PROT" and resid 67   and name HB1 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      3.700     1.700     1.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.49506E-03 ppm1      3.165 ppm2      3.619 CV     1
 ASSI {  741}
   (( segid "PROT" and resid 67   and name HB1 ))
   (( segid "PROT" and resid 67   and name HB2 ))
      1.800     0.400     0.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.94456E-02 ppm1      3.157 ppm2      2.816 CV     1
 ASSI {  742}
   (( segid "PROT" and resid 67   and name HB1 ))
   (( segid "PROT" and resid 70   and name HG2 ))
      4.900     3.000     1.100 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11017E-03 ppm1      3.171 ppm2      1.807 CV     1
 ASSI {  743}
   (( segid "PROT" and resid 84   and name HB1 ))
   (( segid "PROT" and resid 84   and name HA  ))
      2.000     0.500     0.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.19367E-01 ppm1      2.723 ppm2      4.422 CV     1
 ASSI {  744}
   (( segid "PROT" and resid 115  and name HB1 ))
   (( segid "PROT" and resid 115  and name HA  ))
      2.400     0.700     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.73613E-02 ppm1      2.689 ppm2      4.320 CV     1
 ASSI {  745}
   (( segid "PROT" and resid 27   and name HB  ))
   (( segid "PROT" and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.22960E-02 ppm1      1.563 ppm2      4.308 CV     1
 ASSI {  746}
   (( segid "PROT" and resid 27   and name HB  ))
   (( segid "PROT" and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.29105E-02 ppm1      1.561 ppm2      3.840 CV     1
 ASSI {  749}
   (( segid "PROT" and resid 117  and name HB1 ))
   (( segid "PROT" and resid 117  and name HA  ))
      2.800     1.000     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.25829E-02 ppm1      3.022 ppm2      3.525 CV     1
 ASSI {  752}
   (( segid "PROT" and resid 117  and name HB1 ))
   (( segid "PROT" and resid 117  and name HB2 ))
      1.900     0.500     0.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.76372E-02 ppm1      3.026 ppm2      2.336 CV     1
 ASSI {  753}
   (( segid "PROT" and resid 27   and name HB  ))
   (  segid "PROT" and resid 32   and name HB% )
      4.100     2.100     1.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.34741E-03 ppm1      1.546 ppm2      1.276 CV     1
 ASSI {  754}
   (( segid "PROT" and resid 27   and name HB  ))
   (( segid "PROT" and resid 27   and name HG12))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.17841E-02 ppm1      1.551 ppm2      1.105 CV     1
 ASSI {  755}
   (( segid "PROT" and resid 27   and name HB  ))
   (  segid "PROT" and resid 27   and name HG2%)
      2.300     0.700     0.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.66284E-02 ppm1      1.558 ppm2      0.992 CV     1
 ASSI {  756}
   (( segid "PROT" and resid 85   and name HB2 ))
   (( segid "PROT" and resid 85   and name HA  ))
      2.700     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.31811E-02 ppm1      2.858 ppm2      4.352 CV     1
 ASSI {  757}
   (( segid "PROT" and resid 85   and name HB1 ))
   (( segid "PROT" and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.29407E-02 ppm1      2.332 ppm2      4.354 CV     1
 ASSI {  759}
   (( segid "PROT" and resid 115  and name HB2 ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.400     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.67317E-03 ppm1      2.565 ppm2      4.087 CV     1
 ASSI {  760}
   (( segid "PROT" and resid 115  and name HB1 ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.400     1.400     1.400 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12491E-02 ppm1      2.726 ppm2      4.078 CV     1
 ASSI {  763}
   (( segid "PROT" and resid 113  and name HB1 ))
   (( segid "PROT" and resid 48   and name HA2 ))
      4.700     2.800     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.20252E-03 ppm1      2.838 ppm2      3.396 CV     1
 OR {  763}
   (( segid "PROT" and resid 113  and name HB2 ))
   (( segid "PROT" and resid 48   and name HA2 ))
 ASSI {  765}
   (( segid "PROT" and resid 85   and name HB1 ))
   (( segid "PROT" and resid 82   and name HB2 ))
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.90625E-03 ppm1      2.316 ppm2      3.136 CV     1
 ASSI {  766}
   (( segid "PROT" and resid 85   and name HB1 ))
   (( segid "PROT" and resid 85   and name HB2 ))
      1.700     0.400     0.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.17372E-01 ppm1      2.320 ppm2      2.862 CV     1
 ASSI {  770}
   (( segid "PROT" and resid 30   and name HB1 ))
   (  segid "PROT" and resid 31   and name HD1%)
      4.800     2.800     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      2.594 ppm2      0.856 CV     1
 OR {  770}
   (( segid "PROT" and resid 30   and name HB1 ))
   (  segid "PROT" and resid 31   and name HG2%)
 ASSI {  777}
   (( segid "PROT" and resid 94   and name HB2 ))
   (( segid "PROT" and resid 95   and name HA  ))
      4.200     2.200     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.48653E-03 ppm1      2.941 ppm2      4.096 CV     1
 ASSI {  778}
   (( segid "PROT" and resid 94   and name HB1 ))
   (( segid "PROT" and resid 91   and name HA2 ))
      3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.34997E-02 ppm1      3.165 ppm2      3.975 CV     1
 OR {  778}
   (( segid "PROT" and resid 94   and name HB1 ))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI {  779}
   (( segid "PROT" and resid 94   and name HB2 ))
   (( segid "PROT" and resid 91   and name HA2 ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.38540E-02 ppm1      2.923 ppm2      3.970 CV     1
 OR {  779}
   (( segid "PROT" and resid 94   and name HB2 ))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI {  780}
   (( segid "PROT" and resid 113  and name HB2 ))
   (( segid "PROT" and resid 113  and name HA  ))
      2.600     0.800     0.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      2.812 ppm2      3.962 CV     1
 OR {  780}
   (( segid "PROT" and resid 113  and name HB1 ))
   (( segid "PROT" and resid 113  and name HA  ))
 ASSI {  783}
   (( segid "PROT" and resid 94   and name HB1 ))
   (( segid "PROT" and resid 94   and name HB2 ))
      1.800     0.400     0.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.14843E-01 ppm1      3.172 ppm2      2.953 CV     1
 ASSI {  785}
   (( segid "PROT" and resid 113  and name HB2 ))
   (( segid "PROT" and resid 112  and name HB1 ))
      2.900     2.900     3.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.95399E-03 ppm1      2.817 ppm2      1.906 CV     1
 OR {  785}
   (( segid "PROT" and resid 113  and name HB1 ))
   (( segid "PROT" and resid 112  and name HB1 ))
 ASSI {  786}
   (( segid "PROT" and resid 94   and name HB2 ))
   (  segid "PROT" and resid 93   and name HB% )
      4.800     2.900     1.200 peak   786 spectrum    1 weight  0.10000E+01 volume  0.17018E-03 ppm1      2.940 ppm2      1.779 CV     1
 ASSI {  789}
   (( segid "PROT" and resid 82   and name HB1 ))
   (( segid "PROT" and resid 82   and name HB2 ))
      1.900     0.400     0.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.91741E-02 ppm1      2.721 ppm2      3.152 CV     1
 ASSI {  792}
   (( segid "PROT" and resid 99   and name HB2 ))
   (( segid "PROT" and resid 99   and name HA  ))
      2.500     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.47978E-02 ppm1      2.844 ppm2      4.548 CV     1
 OR {  792}
   (( segid "PROT" and resid 99   and name HB1 ))
   (( segid "PROT" and resid 99   and name HA  ))
 ASSI {  794}
   (( segid "PROT" and resid 13   and name HB1 ))
   (( segid "PROT" and resid 13   and name HA  ))
      3.500     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.97408E-03 ppm1      3.289 ppm2      4.039 CV     1
 ASSI {  795}
   (( segid "PROT" and resid 13   and name HB2 ))
   (( segid "PROT" and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.50021E-02 ppm1      3.012 ppm2      4.035 CV     1
 ASSI {  797}
   (( segid "PROT" and resid 1    and name HB  ))
   (( segid "PROT" and resid 1    and name HA  ))
      3.400     1.400     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.65565E-03 ppm1      2.003 ppm2      3.741 CV     1
 ASSI {  799}
   (( segid "PROT" and resid 13   and name HB1 ))
   (( segid "PROT" and resid 13   and name HB2 ))
      1.800     0.400     0.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.14011E-01 ppm1      3.292 ppm2      3.023 CV     1
 ASSI {  800}
   (( segid "PROT" and resid 82   and name HB2 ))
   (( segid "PROT" and resid 85   and name HB2 ))
      2.200     0.600     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.52645E-02 ppm1      3.143 ppm2      2.874 CV     1
 ASSI {  803}
   (( segid "PROT" and resid 99   and name HB1 ))
   (( segid "PROT" and resid 98   and name HB2 ))
      4.300     2.400     1.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.19293E-03 ppm1      2.836 ppm2      2.200 CV     1
 OR {  803}
   (( segid "PROT" and resid 99   and name HB2 ))
   (( segid "PROT" and resid 98   and name HB2 ))
 OR {  803}
   (( segid "PROT" and resid 99   and name HB1 ))
   (( segid "PROT" and resid 98   and name HB1 ))
 OR {  803}
   (( segid "PROT" and resid 99   and name HB2 ))
   (( segid "PROT" and resid 98   and name HB1 ))
 ASSI {  805}
   (( segid "PROT" and resid 99   and name HB1 ))
   (  segid "PROT" and resid 100  and name HB% )
      3.600     1.600     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.13202E-02 ppm1      2.822 ppm2      1.544 CV     1
 OR {  805}
   (( segid "PROT" and resid 99   and name HB2 ))
   (  segid "PROT" and resid 100  and name HB% )
 ASSI {  806}
   (( segid "PROT" and resid 1    and name HB  ))
   (( segid "PROT" and resid 1    and name HG12))
      3.100     1.200     1.200 peak   806 spectrum    1 weight  0.10000E+01 volume  0.14847E-02 ppm1      1.988 ppm2      1.235 CV     1
 ASSI {  807}
   (( segid "PROT" and resid 1    and name HB  ))
   (  segid "PROT" and resid 1    and name HG2%)
      2.200     0.600     0.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      1.995 ppm2      0.965 CV     1
 ASSI {  808}
   (( segid "PROT" and resid 1    and name HB  ))
   (( segid "PROT" and resid 79   and name HA  ))
      2.700     2.700     3.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.36162E-02 ppm1      1.990 ppm2      4.584 CV     1
 ASSI {  809}
   (( segid "PROT" and resid 75   and name HB  ))
   (( segid "PROT" and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.14749E-02 ppm1      2.092 ppm2      4.427 CV     1
 ASSI {  811}
   (( segid "PROT" and resid 75   and name HB  ))
   (( segid "PROT" and resid 90   and name HA  ))
      4.600     2.700     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.26301E-03 ppm1      2.095 ppm2      3.908 CV     1
 ASSI {  813}
   (( segid "PROT" and resid 122  and name HB1 ))
   (( segid "PROT" and resid 122  and name HB2 ))
      1.800     0.400     0.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.13322E-01 ppm1      2.940 ppm2      3.495 CV     1
 ASSI {  814}
   (( segid "PROT" and resid 10   and name HB1 ))
   (( segid "PROT" and resid 10   and name HB2 ))
      1.600     0.300     0.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.24246E-01 ppm1      2.984 ppm2      3.293 CV     1
 ASSI {  817}
   (( segid "PROT" and resid 75   and name HB  ))
   (( segid "PROT" and resid 75   and name HG12))
      3.500     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.87589E-03 ppm1      2.079 ppm2      1.346 CV     1
 ASSI {  819}
   (( segid "PROT" and resid 53   and name HB2 ))
   (( segid "PROT" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      3.285 ppm2      3.990 CV     1
 ASSI {  821}
   (( segid "PROT" and resid 75   and name HB  ))
   (( segid "PROT" and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.26829E-03 ppm1      2.086 ppm2      3.642 CV     1
 ASSI {  822}
   (( segid "PROT" and resid 75   and name HB  ))
   (( segid "PROT" and resid 86   and name HA  ))
      5.300     3.600     0.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.17093E-03 ppm1      2.064 ppm2      3.175 CV     1
 ASSI {  823}
   (( segid "PROT" and resid 75   and name HB  ))
   (  segid "PROT" and resid 75   and name HG2%)
      2.300     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.59529E-02 ppm1      2.099 ppm2      1.018 CV     1
 OR {  823}
   (( segid "PROT" and resid 75   and name HB  ))
   (  segid "PROT" and resid 75   and name HD1%)
 ASSI {  824}
   (( segid "PROT" and resid 122  and name HB2 ))
   (  segid "PROT" and resid 118  and name HG2%)
      4.100     2.100     1.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.57150E-03 ppm1      3.512 ppm2      0.969 CV     1
 ASSI {  827}
   (( segid "PROT" and resid 31   and name HB  ))
   (( segid "PROT" and resid 27   and name HA  ))
      2.900     2.900     3.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1      1.948 ppm2      4.313 CV     1
 ASSI {  832}
   (( segid "PROT" and resid 53   and name HB2 ))
   (( segid "PROT" and resid 53   and name HB1 ))
      2.000     0.500     0.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.77489E-02 ppm1      3.279 ppm2      3.581 CV     1
 ASSI {  834}
   (( segid "PROT" and resid 92   and name HB  ))
   (( segid "PROT" and resid 89   and name HA  ))
      2.500     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.36244E-02 ppm1      1.824 ppm2      3.433 CV     1
 ASSI {  836}
   (( segid "PROT" and resid 53   and name HB1 ))
   (( segid "PROT" and resid 21   and name HB1 ))
      3.100     1.200     1.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.94116E-03 ppm1      3.563 ppm2      2.773 CV     1
 ASSI {  841}
   (( segid "PROT" and resid 92   and name HB  ))
   (( segid "PROT" and resid 92   and name HG12))
      2.100     0.500     0.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.14301E-01 ppm1      1.805 ppm2      0.823 CV     1
 ASSI {  845}
   (( segid "PROT" and resid 92   and name HB  ))
   (  segid "PROT" and resid 92   and name HD1%)
      2.300     2.300     3.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.11886E-01 ppm1      1.830 ppm2      0.499 CV     1
 ASSI {  847}
   (( segid "PROT" and resid 109  and name HB  ))
   (( segid "PROT" and resid 109  and name HA  ))
      3.000     1.200     1.200 peak   847 spectrum    1 weight  0.10000E+01 volume  0.14803E-02 ppm1      1.935 ppm2      3.446 CV     1
 ASSI {  849}
   (( segid "PROT" and resid 109  and name HB  ))
   (( segid "PROT" and resid 109  and name HG11))
      2.000     0.500     0.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.10094E-01 ppm1      1.936 ppm2      1.721 CV     1
 ASSI {  856}
   (( segid "PROT" and resid 118  and name HB  ))
   (( segid "PROT" and resid 115  and name HA  ))
      3.100     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.12919E-02 ppm1      2.030 ppm2      4.333 CV     1
 ASSI {  857}
   (( segid "PROT" and resid 96   and name HB2 ))
   (( segid "PROT" and resid 93   and name HA  ))
      4.400     2.400     1.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.12884E-03 ppm1      2.434 ppm2      4.189 CV     1
 ASSI {  858}
   (( segid "PROT" and resid 96   and name HB2 ))
   (( segid "PROT" and resid 113  and name HA  ))
      5.800     4.100     0.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.12538E-03 ppm1      2.440 ppm2      3.965 CV     1
 ASSI {  860}
   (( segid "PROT" and resid 69   and name HG1 ))
   (( segid "PROT" and resid 69   and name HA  ))
      3.300     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.15007E-02 ppm1      2.508 ppm2      3.843 CV     1
 ASSI {  861}
   (( segid "PROT" and resid 69   and name HG2 ))
   (( segid "PROT" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.28778E-02 ppm1      2.318 ppm2      3.846 CV     1
 ASSI {  862}
   (( segid "PROT" and resid 69   and name HG2 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      4.700     2.800     1.300 peak   862 spectrum    1 weight  0.10000E+01 volume  0.62553E-03 ppm1      2.315 ppm2      3.631 CV     1
 ASSI {  863}
   (( segid "PROT" and resid 108  and name HB2 ))
   (( segid "PROT" and resid 108  and name HB1 ))
      1.900     0.400     0.400 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10272E-01 ppm1      2.793 ppm2      3.068 CV     1
 ASSI {  865}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 105  and name HB1 ))
      3.000     1.100     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.25187E-02 ppm1      3.055 ppm2      2.615 CV     1
 ASSI {  866}
   (( segid "PROT" and resid 69   and name HG2 ))
   (( segid "PROT" and resid 69   and name HG1 ))
      1.800     0.400     0.400 peak   866 spectrum    1 weight  0.10000E+01 volume  0.15904E-01 ppm1      2.318 ppm2      2.517 CV     1
 ASSI {  868}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 103  and name HG1 ))
      2.700     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.28842E-02 ppm1      3.055 ppm2      2.185 CV     1
 OR {  868}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI {  869}
   (( segid "PROT" and resid 108  and name HB2 ))
   (( segid "PROT" and resid 103  and name HG1 ))
      3.400     1.400     1.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.15989E-02 ppm1      2.809 ppm2      2.184 CV     1
 OR {  869}
   (( segid "PROT" and resid 108  and name HB2 ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI {  870}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 103  and name HB2 ))
      4.500     2.500     1.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.24128E-03 ppm1      3.099 ppm2      1.981 CV     1
 ASSI {  874}
   (( segid "PROT" and resid 58   and name HB  ))
   (( segid "PROT" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.85395E-03 ppm1      2.351 ppm2      1.505 CV     1
 ASSI {  875}
   (( segid "PROT" and resid 58   and name HB  ))
   (  segid "PROT" and resid 58   and name HG2%)
      2.200     0.600     0.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.96927E-02 ppm1      2.354 ppm2      0.968 CV     1
 ASSI {  876}
   (( segid "PROT" and resid 58   and name HB  ))
   (  segid "PROT" and resid 58   and name HD1%)
      2.400     0.700     0.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.62053E-02 ppm1      2.354 ppm2      0.805 CV     1
 ASSI {  877}
   (( segid "PROT" and resid 69   and name HG2 ))
   (  segid "PROT" and resid 68   and name HG1%)
      4.100     2.100     1.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.44259E-03 ppm1      2.318 ppm2      0.574 CV     1
 ASSI {  878}
   (( segid "PROT" and resid 96   and name HB1 ))
   (( segid "PROT" and resid 93   and name HA  ))
      5.300     3.500     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.14569E-03 ppm1      2.595 ppm2      4.185 CV     1
 ASSI {  879}
   (( segid "PROT" and resid 96   and name HB1 ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.200     2.200     1.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.15049E-03 ppm1      2.605 ppm2      3.955 CV     1
 ASSI {  881}
   (( segid "PROT" and resid 76   and name HG2 ))
   (( segid "PROT" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.45193E-02 ppm1      2.186 ppm2      3.762 CV     1
 ASSI {  882}
   (( segid "PROT" and resid 69   and name HG1 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      4.900     3.000     1.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.34938E-03 ppm1      2.521 ppm2      3.632 CV     1
 ASSI {  886}
   (( segid "PROT" and resid 76   and name HG2 ))
   (( segid "PROT" and resid 76   and name HG1 ))
      2.000     0.500     0.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.76924E-02 ppm1      2.196 ppm2      2.558 CV     1
 ASSI {  887}
   (( segid "PROT" and resid 96   and name HB1 ))
   (( segid "PROT" and resid 96   and name HB2 ))
      1.900     0.500     0.500 peak   887 spectrum    1 weight  0.10000E+01 volume  0.88558E-02 ppm1      2.610 ppm2      2.423 CV     1
 ASSI {  889}
   (( segid "PROT" and resid 76   and name HG1 ))
   (( segid "PROT" and resid 76   and name HB2 ))
      2.600     0.900     0.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.24127E-02 ppm1      2.549 ppm2      2.099 CV     1
 ASSI {  890}
   (( segid "PROT" and resid 69   and name HG1 ))
   (( segid "PROT" and resid 69   and name HB1 ))
      2.900     1.000     1.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.29541E-02 ppm1      2.519 ppm2      2.011 CV     1
 ASSI {  893}
   (( segid "PROT" and resid 49   and name HB2 ))
   (  segid "PROT" and resid 25   and name HD1%)
      4.000     2.000     2.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.35554E-03 ppm1      3.091 ppm2      0.841 CV     1
 ASSI {  895}
   (( segid "PROT" and resid 76   and name HG1 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      3.900     1.900     1.900 peak   895 spectrum    1 weight  0.10000E+01 volume  0.43996E-03 ppm1      2.539 ppm2      0.811 CV     1
 ASSI {  897}
   (( segid "PROT" and resid 69   and name HG1 ))
   (  segid "PROT" and resid 68   and name HG1%)
      5.100     3.200     0.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10300E-03 ppm1      2.521 ppm2      0.577 CV     1
 ASSI {  899}
   (( segid "PROT" and resid 76   and name HG2 ))
   (( segid "PROT" and resid 72   and name HA  ))
      2.800     2.800     3.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.41602E-02 ppm1      2.176 ppm2      4.436 CV     1
 ASSI {  900}
   (( segid "PROT" and resid 76   and name HG1 ))
   (( segid "PROT" and resid 72   and name HA  ))
      4.900     3.100     1.100 peak   900 spectrum    1 weight  0.10000E+01 volume  0.67150E-04 ppm1      2.561 ppm2      4.422 CV     1
 ASSI {  901}
   (( segid "PROT" and resid 76   and name HG1 ))
   (( segid "PROT" and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   901 spectrum    1 weight  0.10000E+01 volume  0.43279E-03 ppm1      2.557 ppm2      4.046 CV     1
 ASSI {  902}
   (( segid "PROT" and resid 59   and name HG2 ))
   (( segid "PROT" and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.52330E-02 ppm1      2.087 ppm2      3.771 CV     1
 OR {  902}
   (( segid "PROT" and resid 59   and name HG1 ))
   (( segid "PROT" and resid 59   and name HA  ))
 ASSI {  903}
   (( segid "PROT" and resid 76   and name HG1 ))
   (( segid "PROT" and resid 76   and name HA  ))
      3.300     1.300     1.300 peak   903 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      2.552 ppm2      3.760 CV     1
 ASSI {  904}
   (( segid "PROT" and resid 76   and name HG2 ))
   (( segid "PROT" and resid 73   and name HE1 ))
      3.200     3.200     2.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.54970E-03 ppm1      2.204 ppm2      3.061 CV     1
 ASSI {  906}
   (( segid "PROT" and resid 59   and name HG2 ))
   (( segid "PROT" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.65277E-02 ppm1      2.104 ppm2      2.446 CV     1
 OR {  906}
   (( segid "PROT" and resid 59   and name HG1 ))
   (( segid "PROT" and resid 59   and name HB2 ))
 ASSI {  912}
   (( segid "PROT" and resid 76   and name HG2 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      2.900     2.900     3.100 peak   912 spectrum    1 weight  0.10000E+01 volume  0.27250E-02 ppm1      2.194 ppm2      0.806 CV     1
 ASSI {  913}
   (( segid "PROT" and resid 97   and name HB  ))
   (  segid "PROT" and resid 97   and name HD1%)
      2.600     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.46288E-02 ppm1      2.357 ppm2      0.744 CV     1
 ASSI {  918}
   (( segid "PROT" and resid 95   and name HG2 ))
   (( segid "PROT" and resid 95   and name HA  ))
      3.100     1.200     1.200 peak   918 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      2.221 ppm2      4.090 CV     1
 ASSI {  923}
   (( segid "PROT" and resid 12   and name HG2 ))
   (( segid "PROT" and resid 16   and name HD2 ))
      5.500     3.800     0.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.76860E-04 ppm1      2.189 ppm2      3.515 CV     1
 ASSI {  927}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 120  and name HE2 ))
      3.900     1.900     1.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.28504E-03 ppm1      3.285 ppm2      2.853 CV     1
 OR {  927}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 120  and name HE1 ))
 ASSI {  930}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 96   and name HB1 ))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      3.259 ppm2      2.613 CV     1
 ASSI {  931}
   (( segid "PROT" and resid 116  and name HB1 ))
   (( segid "PROT" and resid 96   and name HB1 ))
      4.300     2.300     1.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.24354E-03 ppm1      3.065 ppm2      2.616 CV     1
 ASSI {  936}
   (( segid "PROT" and resid 103  and name HG2 ))
   (( segid "PROT" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.74075E-02 ppm1      2.187 ppm2      4.413 CV     1
 OR {  936}
   (( segid "PROT" and resid 103  and name HG1 ))
   (( segid "PROT" and resid 103  and name HA  ))
 ASSI {  939}
   (( segid "PROT" and resid 116  and name HB1 ))
   (( segid "PROT" and resid 116  and name HA  ))
      2.500     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.41881E-02 ppm1      3.059 ppm2      4.155 CV     1
 ASSI {  940}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 116  and name HA  ))
      3.300     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.99635E-03 ppm1      3.259 ppm2      4.142 CV     1
 ASSI {  942}
   (( segid "PROT" and resid 116  and name HB1 ))
   (( segid "PROT" and resid 113  and name HA  ))
      4.800     2.900     1.200 peak   942 spectrum    1 weight  0.10000E+01 volume  0.10195E-03 ppm1      3.050 ppm2      3.942 CV     1
 ASSI {  949}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 115  and name HB1 ))
      4.100     2.100     1.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.75326E-03 ppm1      3.272 ppm2      2.702 CV     1
 ASSI {  950}
   (( segid "PROT" and resid 116  and name HB1 ))
   (( segid "PROT" and resid 115  and name HB1 ))
      4.500     2.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.27403E-03 ppm1      3.057 ppm2      2.707 CV     1
 ASSI {  953}
   (( segid "PROT" and resid 116  and name HB2 ))
   (( segid "PROT" and resid 120  and name HG1 ))
      6.000     6.000     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.97536E-05 ppm1      3.259 ppm2      1.509 CV     1
 ASSI {  959}
   (( segid "PROT" and resid 72   and name HB2 ))
   (  segid "PROT" and resid 75   and name HD1%)
      5.500     3.800     0.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.18817E-03 ppm1      3.170 ppm2      1.024 CV     1
 OR {  959}
   (( segid "PROT" and resid 72   and name HB2 ))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI {  962}
   (( segid "PROT" and resid 98   and name HG1 ))
   (( segid "PROT" and resid 99   and name HA  ))
      4.400     2.400     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.42381E-03 ppm1      2.411 ppm2      4.549 CV     1
 OR {  962}
   (( segid "PROT" and resid 98   and name HG2 ))
   (( segid "PROT" and resid 99   and name HA  ))
 ASSI {  964}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   964 spectrum    1 weight  0.10000E+01 volume  0.23188E-02 ppm1      3.176 ppm2      4.423 CV     1
 ASSI {  966}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 73   and name HA  ))
      3.800     1.800     1.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.45911E-03 ppm1      3.180 ppm2      4.047 CV     1
 ASSI {  967}
   (( segid "PROT" and resid 72   and name HB1 ))
   (( segid "PROT" and resid 73   and name HA  ))
      5.900     4.400     0.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.30338E-04 ppm1      3.664 ppm2      4.025 CV     1
 ASSI {  968}
   (( segid "PROT" and resid 72   and name HB1 ))
   (( segid "PROT" and resid 69   and name HA  ))
      3.600     1.700     1.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.19405E-02 ppm1      3.664 ppm2      3.844 CV     1
 ASSI {  969}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 69   and name HA  ))
      3.100     1.200     1.200 peak   969 spectrum    1 weight  0.10000E+01 volume  0.10590E-02 ppm1      3.177 ppm2      3.849 CV     1
 ASSI {  970}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 72   and name HB1 ))
      1.900     0.400     0.400 peak   970 spectrum    1 weight  0.10000E+01 volume  0.10393E-01 ppm1      3.176 ppm2      3.664 CV     1
 ASSI {  972}
   (( segid "PROT" and resid 98   and name HG1 ))
   (( segid "PROT" and resid 94   and name HB2 ))
      4.300     2.400     1.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.95637E-04 ppm1      2.416 ppm2      2.950 CV     1
 OR {  972}
   (( segid "PROT" and resid 98   and name HG2 ))
   (( segid "PROT" and resid 94   and name HB2 ))
 ASSI {  977}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 90   and name HE2 ))
      4.500     2.500     1.500 peak   977 spectrum    1 weight  0.10000E+01 volume  0.67292E-03 ppm1      3.175 ppm2      2.139 CV     1
 ASSI {  978}
   (( segid "PROT" and resid 72   and name HB1 ))
   (( segid "PROT" and resid 73   and name HB2 ))
      6.000     6.000     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.87224E-05 ppm1      3.664 ppm2      1.988 CV     1
 OR {  978}
   (( segid "PROT" and resid 72   and name HB1 ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI {  979}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 73   and name HB2 ))
      5.900     4.300     0.100 peak   979 spectrum    1 weight  0.10000E+01 volume  0.46764E-04 ppm1      3.189 ppm2      1.972 CV     1
 OR {  979}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI {  980}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 90   and name HG1 ))
      6.000     6.000     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.26933E-04 ppm1      3.182 ppm2      1.804 CV     1
 ASSI {  983}
   (( segid "PROT" and resid 106  and name HG2 ))
   (  segid "PROT" and resid 52   and name HB% )
      3.000     1.200     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.17436E-02 ppm1      2.213 ppm2      1.428 CV     1
 ASSI {  985}
   (( segid "PROT" and resid 98   and name HG2 ))
   (  segid "PROT" and resid 97   and name HG2%)
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.66887E-03 ppm1      2.418 ppm2      0.950 CV     1
 OR {  985}
   (( segid "PROT" and resid 98   and name HG1 ))
   (  segid "PROT" and resid 97   and name HG2%)
 ASSI {  987}
   (( segid "PROT" and resid 72   and name HB2 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      4.300     2.400     1.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.83611E-03 ppm1      3.173 ppm2      0.792 CV     1
 ASSI {  989}
   (( segid "PROT" and resid 72   and name HB1 ))
   (( segid "PROT" and resid 90   and name HG2 ))
      5.000     3.200     1.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.11993E-03 ppm1      3.663 ppm2      0.711 CV     1
 ASSI {  993}
   (( segid "PROT" and resid 55   and name HB1 ))
   (( segid "PROT" and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.17758E-02 ppm1      2.220 ppm2      3.765 CV     1
 ASSI {  994}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   994 spectrum    1 weight  0.10000E+01 volume  0.22369E-02 ppm1      1.943 ppm2      3.766 CV     1
 ASSI {  995}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 56   and name HE1 ))
      4.800     2.800     1.200 peak   995 spectrum    1 weight  0.10000E+01 volume  0.24372E-03 ppm1      1.940 ppm2      2.937 CV     1
 ASSI {  996}
   (( segid "PROT" and resid 55   and name HB1 ))
   (( segid "PROT" and resid 55   and name HG1 ))
      4.900     3.000     1.100 peak   996 spectrum    1 weight  0.10000E+01 volume  0.13389E-03 ppm1      2.219 ppm2      2.914 CV     1
 ASSI {  998}
   (( segid "PROT" and resid 55   and name HB1 ))
   (( segid "PROT" and resid 55   and name HG2 ))
      2.900     1.000     1.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      2.209 ppm2      2.770 CV     1
 ASSI {  999}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.21232E-02 ppm1      1.937 ppm2      2.763 CV     1
 ASSI { 1000}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 55   and name HB1 ))
      1.800     0.400     0.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.99307E-02 ppm1      1.951 ppm2      2.222 CV     1
 ASSI { 1002}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 60   and name HB2 ))
      4.700     2.700     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.52487E-03 ppm1      1.937 ppm2      1.673 CV     1
 ASSI { 1006}
   (( segid "PROT" and resid 55   and name HB1 ))
   (( segid "PROT" and resid 61   and name HB1 ))
      2.800     1.000     1.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.24576E-02 ppm1      2.220 ppm2      0.952 CV     1
 ASSI { 1008}
   (( segid "PROT" and resid 55   and name HB2 ))
   (  segid "PROT" and resid 61   and name HD1%)
      3.600     1.700     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      1.947 ppm2      0.864 CV     1
 ASSI { 1009}
   (( segid "PROT" and resid 55   and name HB1 ))
   (  segid "PROT" and resid 61   and name HD1%)
      3.300     1.300     1.300 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.18906E-02 ppm1      2.209 ppm2      0.858 CV     1
 ASSI { 1010}
   (( segid "PROT" and resid 55   and name HB1 ))
   (  segid "PROT" and resid 61   and name HD2%)
      5.100     3.200     0.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.11281E-03 ppm1      2.203 ppm2      0.713 CV     1
 ASSI { 1011}
   (( segid "PROT" and resid 55   and name HB2 ))
   (  segid "PROT" and resid 61   and name HD2%)
      4.500     2.600     1.500 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.13892E-03 ppm1      1.947 ppm2      0.703 CV     1
 ASSI { 1012}
   (( segid "PROT" and resid 46   and name HG1 ))
   (( segid "PROT" and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.28652E-02 ppm1      2.454 ppm2      4.341 CV     1
 ASSI { 1013}
   (( segid "PROT" and resid 46   and name HG2 ))
   (( segid "PROT" and resid 46   and name HA  ))
      2.600     0.900     0.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.54270E-02 ppm1      2.326 ppm2      4.331 CV     1
 ASSI { 1016}
   (( segid "PROT" and resid 60   and name HB2 ))
   (( segid "PROT" and resid 67   and name HB2 ))
      5.800     4.200     0.200 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.51755E-04 ppm1      1.693 ppm2      2.789 CV     1
 ASSI { 1019}
   (( segid "PROT" and resid 60   and name HB2 ))
   (( segid "PROT" and resid 60   and name HB1 ))
      2.000     0.500     0.500 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.55999E-02 ppm1      1.678 ppm2      2.258 CV     1
 ASSI { 1020}
   (( segid "PROT" and resid 46   and name HG2 ))
   (( segid "PROT" and resid 46   and name HB2 ))
      2.000     0.500     0.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.19475E-01 ppm1      2.326 ppm2      2.141 CV     1
 OR { 1020}
   (( segid "PROT" and resid 46   and name HG2 ))
   (( segid "PROT" and resid 46   and name HB1 ))
 ASSI { 1025}
   (( segid "PROT" and resid 46   and name HG2 ))
   (( segid "PROT" and resid 27   and name HG12))
      3.600     1.600     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.28273E-03 ppm1      2.312 ppm2      1.126 CV     1
 ASSI { 1029}
   (( segid "PROT" and resid 87   and name HG1 ))
   (( segid "PROT" and resid 84   and name HA  ))
      2.600     0.900     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.40941E-02 ppm1      2.406 ppm2      4.405 CV     1
 OR { 1029}
   (( segid "PROT" and resid 87   and name HG2 ))
   (( segid "PROT" and resid 84   and name HA  ))
 ASSI { 1030}
   (( segid "PROT" and resid 87   and name HG2 ))
   (( segid "PROT" and resid 87   and name HB2 ))
      1.800     0.400     0.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.35615E-01 ppm1      2.397 ppm2      2.151 CV     1
 OR { 1030}
   (( segid "PROT" and resid 87   and name HG2 ))
   (( segid "PROT" and resid 87   and name HB1 ))
 ASSI { 1032}
   (( segid "PROT" and resid 62   and name HB2 ))
   (( segid "PROT" and resid 62   and name HD2 ))
      2.600     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.75801E-02 ppm1      1.819 ppm2      1.428 CV     1
 OR { 1032}
   (( segid "PROT" and resid 62   and name HB1 ))
   (( segid "PROT" and resid 62   and name HD2 ))
 ASSI { 1033}
   (( segid "PROT" and resid 62   and name HB1 ))
   (( segid "PROT" and resid 62   and name HG1 ))
      2.400     0.700     0.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.45982E-02 ppm1      1.821 ppm2      1.291 CV     1
 OR { 1033}
   (( segid "PROT" and resid 62   and name HB2 ))
   (( segid "PROT" and resid 62   and name HG1 ))
 ASSI { 1034}
   (( segid "PROT" and resid 62   and name HB1 ))
   (( segid "PROT" and resid 62   and name HG2 ))
      2.500     0.800     0.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.41430E-02 ppm1      1.824 ppm2      1.181 CV     1
 OR { 1034}
   (( segid "PROT" and resid 62   and name HB2 ))
   (( segid "PROT" and resid 62   and name HG2 ))
 ASSI { 1035}
   (( segid "PROT" and resid 46   and name HG1 ))
   (  segid "PROT" and resid 27   and name HD1%)
      2.700     2.700     3.300 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.27442E-02 ppm1      2.434 ppm2      0.821 CV     1
 ASSI { 1038}
   (( segid "PROT" and resid 120  and name HB1 ))
   (( segid "PROT" and resid 120  and name HA  ))
      2.300     0.600     0.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.63247E-02 ppm1      1.745 ppm2      4.012 CV     1
 ASSI { 1039}
   (( segid "PROT" and resid 120  and name HB2 ))
   (( segid "PROT" and resid 120  and name HA  ))
      2.900     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.28163E-02 ppm1      1.573 ppm2      4.008 CV     1
 ASSI { 1040}
   (( segid "PROT" and resid 87   and name HG1 ))
   (( segid "PROT" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.21765E-02 ppm1      2.430 ppm2      3.874 CV     1
 ASSI { 1041}
   (( segid "PROT" and resid 3    and name HG1 ))
   (( segid "PROT" and resid 3    and name HA  ))
      2.700     0.900     0.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.44667E-02 ppm1      1.939 ppm2      3.783 CV     1
 OR { 1041}
   (( segid "PROT" and resid 3    and name HG2 ))
   (( segid "PROT" and resid 3    and name HA  ))
 ASSI { 1043}
   (( segid "PROT" and resid 120  and name HB2 ))
   (( segid "PROT" and resid 120  and name HE1 ))
      5.200     3.400     0.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.79972E-04 ppm1      1.572 ppm2      2.891 CV     1
 ASSI { 1044}
   (( segid "PROT" and resid 120  and name HB2 ))
   (( segid "PROT" and resid 120  and name HB1 ))
      1.800     0.400     0.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.98980E-02 ppm1      1.574 ppm2      1.752 CV     1
 ASSI { 1045}
   (( segid "PROT" and resid 120  and name HB1 ))
   (( segid "PROT" and resid 120  and name HB2 ))
      1.500     0.300     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.39566E-01 ppm1      1.750 ppm2      1.584 CV     1
 OR { 1045}
   (( segid "PROT" and resid 120  and name HB1 ))
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI { 1048}
   (( segid "PROT" and resid 120  and name HB2 ))
   (( segid "PROT" and resid 92   and name HG12))
      3.200     1.300     1.300 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.22922E-02 ppm1      1.575 ppm2      0.827 CV     1
 ASSI { 1051}
   (( segid "PROT" and resid 120  and name HB2 ))
   (  segid "PROT" and resid 92   and name HD1%)
      2.900     1.100     1.100 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.16684E-02 ppm1      1.575 ppm2      0.507 CV     1
 ASSI { 1052}
   (( segid "PROT" and resid 112  and name HB2 ))
   (( segid "PROT" and resid 100  and name HA  ))
      2.800     1.000     1.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.21138E-02 ppm1      1.744 ppm2      4.356 CV     1
 ASSI { 1054}
   (( segid "PROT" and resid 55   and name HG1 ))
   (( segid "PROT" and resid 52   and name HA  ))
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.16344E-03 ppm1      2.909 ppm2      4.100 CV     1
 ASSI { 1055}
   (( segid "PROT" and resid 112  and name HB2 ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.000     1.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.24164E-02 ppm1      1.740 ppm2      4.064 CV     1
 ASSI { 1056}
   (( segid "PROT" and resid 68   and name HB  ))
   (( segid "PROT" and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.51625E-02 ppm1      1.746 ppm2      3.898 CV     1
 ASSI { 1061}
   (( segid "PROT" and resid 74   and name HG2 ))
   (( segid "PROT" and resid 74   and name HA  ))
      3.100     1.200     1.200 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.26730E-02 ppm1      1.775 ppm2      3.487 CV     1
 ASSI { 1062}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 109  and name HA  ))
      3.800     1.800     1.800 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.95656E-03 ppm1      1.886 ppm2      3.436 CV     1
 ASSI { 1066}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 103  and name HG2 ))
      4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.37534E-03 ppm1      1.903 ppm2      2.178 CV     1
 OR { 1066}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI { 1067}
   (( segid "PROT" and resid 74   and name HG1 ))
   (( segid "PROT" and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.80453E-03 ppm1      2.491 ppm2      1.274 CV     1
 ASSI { 1068}
   (( segid "PROT" and resid 74   and name HG1 ))
   (  segid "PROT" and resid 71   and name HG1%)
      4.700     2.800     1.300 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.13264E-03 ppm1      2.487 ppm2      1.140 CV     1
 ASSI { 1069}
   (( segid "PROT" and resid 112  and name HB1 ))
   (  segid "PROT" and resid 109  and name HG2%)
      4.600     2.600     1.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.25846E-03 ppm1      1.897 ppm2      0.837 CV     1
 ASSI { 1070}
   (( segid "PROT" and resid 68   and name HB  ))
   (  segid "PROT" and resid 68   and name HG2%)
      2.300     0.700     0.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.73824E-02 ppm1      1.745 ppm2      0.727 CV     1
 ASSI { 1071}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 112  and name HA  ))
      2.300     0.700     0.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.55765E-02 ppm1      1.905 ppm2      4.069 CV     1
 ASSI { 1072}
   (( segid "PROT" and resid 112  and name HB2 ))
   (( segid "PROT" and resid 112  and name HE1 ))
      4.600     2.700     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.34764E-03 ppm1      1.739 ppm2      3.009 CV     1
 OR { 1072}
   (( segid "PROT" and resid 112  and name HB2 ))
   (( segid "PROT" and resid 112  and name HE2 ))
 ASSI { 1073}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 112  and name HE1 ))
      4.600     2.700     1.400 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.24703E-03 ppm1      1.913 ppm2      3.005 CV     1
 OR { 1073}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 112  and name HE2 ))
 ASSI { 1074}
   (( segid "PROT" and resid 74   and name HG1 ))
   (( segid "PROT" and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.84817E-02 ppm1      2.525 ppm2      1.909 CV     1
 ASSI { 1075}
   (( segid "PROT" and resid 74   and name HG1 ))
   (( segid "PROT" and resid 74   and name HG2 ))
      1.800     0.400     0.400 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.99237E-02 ppm1      2.516 ppm2      1.786 CV     1
 ASSI { 1076}
   (( segid "PROT" and resid 112  and name HB1 ))
   (( segid "PROT" and resid 112  and name HG1 ))
      2.000     0.500     0.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.14902E-01 ppm1      1.899 ppm2      1.640 CV     1
 ASSI { 1078}
   (( segid "PROT" and resid 70   and name HB1 ))
   (( segid "PROT" and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.51896E-02 ppm1      2.607 ppm2      4.403 CV     1
 ASSI { 1079}
   (( segid "PROT" and resid 70   and name HB2 ))
   (( segid "PROT" and resid 70   and name HA  ))
      3.000     1.100     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.23338E-02 ppm1      1.506 ppm2      4.399 CV     1
 ASSI { 1083}
   (( segid "PROT" and resid 39   and name HB2 ))
   (( segid "PROT" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.14195E-01 ppm1      1.933 ppm2      4.167 CV     1
 OR { 1083}
   (( segid "PROT" and resid 39   and name HB1 ))
   (( segid "PROT" and resid 39   and name HA  ))
 ASSI { 1084}
   (( segid "PROT" and resid 77   and name HB  ))
   (( segid "PROT" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.26707E-02 ppm1      2.115 ppm2      3.940 CV     1
 ASSI { 1085}
   (( segid "PROT" and resid 9    and name HB1 ))
   (( segid "PROT" and resid 6    and name HA  ))
      2.900     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.38877E-02 ppm1      1.980 ppm2      3.802 CV     1
 ASSI { 1086}
   (( segid "PROT" and resid 70   and name HB2 ))
   (( segid "PROT" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.22469E-03 ppm1      1.522 ppm2      3.798 CV     1
 ASSI { 1087}
   (( segid "PROT" and resid 55   and name HG2 ))
   (( segid "PROT" and resid 55   and name HA  ))
      3.000     1.100     1.100 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      2.781 ppm2      3.756 CV     1
 ASSI { 1088}
   (( segid "PROT" and resid 70   and name HB1 ))
   (( segid "PROT" and resid 70   and name HD2 ))
      3.500     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.15573E-02 ppm1      2.610 ppm2      3.716 CV     1
 ASSI { 1089}
   (( segid "PROT" and resid 70   and name HB2 ))
   (( segid "PROT" and resid 70   and name HD2 ))
      3.400     1.500     1.500 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.17923E-02 ppm1      1.505 ppm2      3.716 CV     1
 ASSI { 1092}
   (( segid "PROT" and resid 11   and name HG1 ))
   (( segid "PROT" and resid 11   and name HB2 ))
      2.300     0.600     0.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.96362E-02 ppm1      2.795 ppm2      2.337 CV     1
 OR { 1092}
   (( segid "PROT" and resid 11   and name HG2 ))
   (( segid "PROT" and resid 11   and name HB2 ))
 ASSI { 1093}
   (( segid "PROT" and resid 9    and name HB2 ))
   (( segid "PROT" and resid 9    and name HB1 ))
      1.500     0.300     0.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.26346E-01 ppm1      1.775 ppm2      2.015 CV     1
 ASSI { 1095}
   (( segid "PROT" and resid 70   and name HB2 ))
   (( segid "PROT" and resid 70   and name HG1 ))
      2.800     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.33424E-02 ppm1      1.526 ppm2      1.921 CV     1
 ASSI { 1097}
   (( segid "PROT" and resid 70   and name HB1 ))
   (( segid "PROT" and resid 70   and name HB2 ))
      1.700     0.400     0.500 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.16702E-01 ppm1      2.604 ppm2      1.509 CV     1
 ASSI { 1099}
   (( segid "PROT" and resid 77   and name HB  ))
   (  segid "PROT" and resid 77   and name HG2%)
      2.300     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.62832E-02 ppm1      2.117 ppm2      1.230 CV     1
 ASSI { 1100}
   (( segid "PROT" and resid 70   and name HB2 ))
   (  segid "PROT" and resid 71   and name HG1%)
      4.700     2.700     1.300 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.19808E-03 ppm1      1.486 ppm2      1.133 CV     1
 ASSI { 1102}
   (( segid "PROT" and resid 11   and name HG2 ))
   (  segid "PROT" and resid 7    and name HG1%)
      2.500     2.500     3.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.21540E-02 ppm1      2.766 ppm2      1.018 CV     1
 OR { 1102}
   (( segid "PROT" and resid 11   and name HG1 ))
   (  segid "PROT" and resid 7    and name HG1%)
 ASSI { 1106}
   (( segid "PROT" and resid 9    and name HB2 ))
   (  segid "PROT" and resid 78   and name HG1%)
      3.100     1.200     1.200 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.98223E-03 ppm1      1.776 ppm2     -0.251 CV     1
 ASSI { 1107}
   (( segid "PROT" and resid 56   and name HB1 ))
   (( segid "PROT" and resid 56   and name HA  ))
      2.400     0.700     0.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.53992E-02 ppm1      2.017 ppm2      4.556 CV     1
 OR { 1107}
   (( segid "PROT" and resid 56   and name HB2 ))
   (( segid "PROT" and resid 56   and name HA  ))
 ASSI { 1112}
   (( segid "PROT" and resid 56   and name HB2 ))
   (( segid "PROT" and resid 56   and name HE1 ))
      3.500     1.600     1.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.59609E-03 ppm1      2.025 ppm2      2.931 CV     1
 OR { 1112}
   (( segid "PROT" and resid 56   and name HB1 ))
   (( segid "PROT" and resid 56   and name HE1 ))
 ASSI { 1113}
   (( segid "PROT" and resid 44   and name HG2 ))
   (( segid "PROT" and resid 111  and name HB2 ))
      2.500     0.800     0.800 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.64030E-02 ppm1      2.568 ppm2      2.849 CV     1
 OR { 1113}
   (( segid "PROT" and resid 44   and name HG2 ))
   (( segid "PROT" and resid 111  and name HB1 ))
 ASSI { 1115}
   (( segid "PROT" and resid 19   and name HG2 ))
   (( segid "PROT" and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.64571E-02 ppm1      2.568 ppm2      2.215 CV     1
 ASSI { 1117}
   (( segid "PROT" and resid 9    and name HB2 ))
   (( segid "PROT" and resid 78   and name HB  ))
      3.500     1.500     1.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.24891E-02 ppm1      1.785 ppm2      1.336 CV     1
 ASSI { 1121}
   (( segid "PROT" and resid 56   and name HB1 ))
   (( segid "PROT" and resid 61   and name HB1 ))
      2.800     1.000     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.27909E-02 ppm1      2.022 ppm2      0.950 CV     1
 OR { 1121}
   (( segid "PROT" and resid 56   and name HB2 ))
   (( segid "PROT" and resid 61   and name HB1 ))
 ASSI { 1122}
   (( segid "PROT" and resid 56   and name HB1 ))
   (  segid "PROT" and resid 61   and name HD1%)
      3.700     1.700     1.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.83912E-03 ppm1      1.995 ppm2      0.862 CV     1
 ASSI { 1125}
   (( segid "PROT" and resid 65   and name HB2 ))
   (( segid "PROT" and resid 65   and name HA  ))
      2.400     0.700     0.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.57415E-02 ppm1      2.119 ppm2      4.413 CV     1
 ASSI { 1126}
   (( segid "PROT" and resid 65   and name HB1 ))
   (( segid "PROT" and resid 65   and name HA  ))
      2.100     0.600     0.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.10591E-01 ppm1      1.905 ppm2      4.411 CV     1
 ASSI { 1127}
   (( segid "PROT" and resid 90   and name HB1 ))
   (( segid "PROT" and resid 88   and name HA  ))
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.52832E-03 ppm1      1.782 ppm2      4.055 CV     1
 ASSI { 1131}
   (( segid "PROT" and resid 78   and name HB  ))
   (( segid "PROT" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      1.328 ppm2      3.620 CV     1
 ASSI { 1132}
   (( segid "PROT" and resid 78   and name HB  ))
   (( segid "PROT" and resid 79   and name HB2 ))
      3.700     3.700     2.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.75981E-03 ppm1      1.329 ppm2      3.341 CV     1
 ASSI { 1133}
   (( segid "PROT" and resid 78   and name HB  ))
   (( segid "PROT" and resid 78   and name HA  ))
      3.800     1.800     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.40380E-03 ppm1      1.316 ppm2      3.306 CV     1
 ASSI { 1134}
   (( segid "PROT" and resid 19   and name HG2 ))
   (( segid "PROT" and resid 19   and name HG1 ))
      1.700     0.300     0.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.21312E-01 ppm1      2.566 ppm2      2.787 CV     1
 ASSI { 1137}
   (( segid "PROT" and resid 44   and name HB2 ))
   (( segid "PROT" and resid 44   and name HG2 ))
      3.700     1.700     1.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.10014E-02 ppm1      2.113 ppm2      2.552 CV     1
 ASSI { 1139}
   (( segid "PROT" and resid 65   and name HB1 ))
   (( segid "PROT" and resid 65   and name HB2 ))
      1.600     0.300     0.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.21142E-01 ppm1      1.886 ppm2      2.133 CV     1
 ASSI { 1144}
   (( segid "PROT" and resid 60   and name HG1 ))
   (( segid "PROT" and resid 60   and name HB2 ))
      2.700     0.900     0.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.24684E-02 ppm1      2.395 ppm2      1.680 CV     1
 OR { 1144}
   (( segid "PROT" and resid 60   and name HG2 ))
   (( segid "PROT" and resid 60   and name HB2 ))
 ASSI { 1145}
   (( segid "PROT" and resid 90   and name HB1 ))
   (( segid "PROT" and resid 90   and name HB2 ))
      1.800     0.400     0.400 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.12487E-01 ppm1      1.761 ppm2      1.500 CV     1
 ASSI { 1147}
   (( segid "PROT" and resid 90   and name HB1 ))
   (( segid "PROT" and resid 90   and name HD1 ))
      2.800     1.000     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.33237E-02 ppm1      1.760 ppm2      1.227 CV     1
 ASSI { 1148}
   (( segid "PROT" and resid 90   and name HB2 ))
   (( segid "PROT" and resid 90   and name HD1 ))
      2.400     0.700     0.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.32922E-02 ppm1      1.491 ppm2      1.228 CV     1
 ASSI { 1151}
   (( segid "PROT" and resid 90   and name HB1 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      3.400     1.400     1.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.19432E-02 ppm1      1.762 ppm2      0.804 CV     1
 ASSI { 1153}
   (( segid "PROT" and resid 90   and name HB1 ))
   (( segid "PROT" and resid 90   and name HG2 ))
      2.400     0.700     0.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      1.755 ppm2      0.709 CV     1
 ASSI { 1154}
   (( segid "PROT" and resid 90   and name HB2 ))
   (( segid "PROT" and resid 90   and name HG2 ))
      2.700     0.900     0.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.37885E-02 ppm1      1.498 ppm2      0.716 CV     1
 ASSI { 1160}
   (( segid "PROT" and resid 44   and name HB1 ))
   (( segid "PROT" and resid 47   and name HB2 ))
      4.600     2.600     1.400 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.18094E-03 ppm1      2.153 ppm2      1.617 CV     1
 ASSI { 1162}
   (( segid "PROT" and resid 86   and name HG11))
   (( segid "PROT" and resid 76   and name HA  ))
      6.000     4.800     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.84561E-04 ppm1      1.931 ppm2      3.759 CV     1
 ASSI { 1165}
   (( segid "PROT" and resid 54   and name HB  ))
   (  segid "PROT" and resid 54   and name HG1%)
      2.000     0.500     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.18066E-01 ppm1      2.291 ppm2      0.983 CV     1
 OR { 1165}
   (( segid "PROT" and resid 54   and name HB  ))
   (  segid "PROT" and resid 54   and name HG2%)
 ASSI { 1167}
   (( segid "PROT" and resid 86   and name HG12))
   (( segid "PROT" and resid 79   and name HA  ))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.89226E-04 ppm1      0.676 ppm2      4.578 CV     1
 ASSI { 1169}
   (( segid "PROT" and resid 16   and name HB2 ))
   (( segid "PROT" and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.18710E-02 ppm1      1.714 ppm2      4.372 CV     1
 ASSI { 1170}
   (( segid "PROT" and resid 86   and name HG12))
   (( segid "PROT" and resid 83   and name HA  ))
      4.400     2.500     1.600 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.44941E-03 ppm1      0.666 ppm2      4.000 CV     1
 ASSI { 1172}
   (( segid "PROT" and resid 16   and name HB1 ))
   (( segid "PROT" and resid 16   and name HD1 ))
      3.400     1.400     1.400 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.89900E-03 ppm1      2.313 ppm2      3.653 CV     1
 ASSI { 1173}
   (( segid "PROT" and resid 86   and name HG11))
   (( segid "PROT" and resid 79   and name HB2 ))
      3.300     3.300     2.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      1.937 ppm2      3.393 CV     1
 ASSI { 1176}
   (( segid "PROT" and resid 86   and name HG11))
   (( segid "PROT" and resid 79   and name HB1 ))
      2.900     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.26222E-02 ppm1      1.929 ppm2      3.033 CV     1
 ASSI { 1179}
   (( segid "PROT" and resid 86   and name HG12))
   (( segid "PROT" and resid 86   and name HG11))
      2.000     0.500     0.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.55783E-02 ppm1      0.667 ppm2      1.938 CV     1
 ASSI { 1182}
   (( segid "PROT" and resid 86   and name HG11))
   (( segid "PROT" and resid 86   and name HB  ))
      2.100     0.600     0.600 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.81102E-02 ppm1      1.934 ppm2      1.814 CV     1
 ASSI { 1183}
   (( segid "PROT" and resid 86   and name HG12))
   (( segid "PROT" and resid 86   and name HB  ))
      3.100     1.200     1.200 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.20469E-02 ppm1      0.664 ppm2      1.808 CV     1
 ASSI { 1184}
   (( segid "PROT" and resid 16   and name HB1 ))
   (( segid "PROT" and resid 16   and name HB2 ))
      1.800     0.400     0.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.15683E-01 ppm1      2.310 ppm2      1.724 CV     1
 ASSI { 1190}
   (( segid "PROT" and resid 86   and name HG11))
   (  segid "PROT" and resid 86   and name HD1%)
      2.300     0.700     0.700 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.52966E-02 ppm1      1.936 ppm2      0.855 CV     1
 ASSI { 1191}
   (( segid "PROT" and resid 86   and name HG12))
   (  segid "PROT" and resid 86   and name HD1%)
      2.300     0.600     0.600 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.64462E-02 ppm1      0.673 ppm2      0.852 CV     1
 ASSI { 1194}
   (( segid "PROT" and resid 11   and name HB2 ))
   (( segid "PROT" and resid 8    and name HA  ))
      3.000     1.100     1.100 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.20509E-02 ppm1      2.317 ppm2      4.164 CV     1
 ASSI { 1199}
   (( segid "PROT" and resid 11   and name HB1 ))
   (( segid "PROT" and resid 11   and name HB2 ))
      1.800     0.400     0.400 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.12706E-01 ppm1      1.986 ppm2      2.336 CV     1
 ASSI { 1200}
   (( segid "PROT" and resid 20   and name HB1 ))
   (( segid "PROT" and resid 20   and name HB2 ))
      1.800     0.400     0.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.10907E-01 ppm1      2.345 ppm2      1.755 CV     1
 ASSI { 1201}
   (( segid "PROT" and resid 103  and name HB1 ))
   (( segid "PROT" and resid 103  and name HA  ))
      2.500     0.800     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.38285E-02 ppm1      2.090 ppm2      4.432 CV     1
 ASSI { 1202}
   (( segid "PROT" and resid 103  and name HB1 ))
   (( segid "PROT" and resid 109  and name HA  ))
      3.000     1.100     1.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.53557E-02 ppm1      2.067 ppm2      3.434 CV     1
 ASSI { 1204}
   (( segid "PROT" and resid 20   and name HB2 ))
   (( segid "PROT" and resid 20   and name HG2 ))
      2.200     0.600     0.600 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.52916E-02 ppm1      1.765 ppm2      2.107 CV     1
 ASSI { 1205}
   (( segid "PROT" and resid 89   and name HB  ))
   (  segid "PROT" and resid 89   and name HG2%)
      2.400     0.700     0.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.44694E-02 ppm1      1.704 ppm2      0.488 CV     1
 ASSI { 1207}
   (( segid "PROT" and resid 74   and name HB2 ))
   (( segid "PROT" and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.32449E-02 ppm1      1.278 ppm2      3.501 CV     1
 ASSI { 1208}
   (( segid "PROT" and resid 109  and name HG12))
   (( segid "PROT" and resid 109  and name HA  ))
      2.400     0.700     0.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.42876E-02 ppm1      0.930 ppm2      3.448 CV     1
 ASSI { 1209}
   (( segid "PROT" and resid 74   and name HB2 ))
   (( segid "PROT" and resid 74   and name HB1 ))
      1.800     0.400     0.400 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.10194E-01 ppm1      1.272 ppm2      1.905 CV     1
 ASSI { 1210}
   (( segid "PROT" and resid 109  and name HG12))
   (( segid "PROT" and resid 109  and name HG11))
      1.900     0.400     0.400 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.77681E-02 ppm1      0.940 ppm2      1.721 CV     1
 ASSI { 1211}
   (( segid "PROT" and resid 109  and name HG12))
   (  segid "PROT" and resid 100  and name HB% )
      3.300     3.300     2.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.88379E-03 ppm1      0.933 ppm2      1.547 CV     1
 ASSI { 1212}
   (( segid "PROT" and resid 75   and name HG11))
   (  segid "PROT" and resid 75   and name HD1%)
      2.300     0.600     0.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.68267E-02 ppm1      2.114 ppm2      1.022 CV     1
 OR { 1212}
   (( segid "PROT" and resid 75   and name HG11))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI { 1214}
   (( segid "PROT" and resid 109  and name HG12))
   (  segid "PROT" and resid 109  and name HD1%)
      2.200     0.600     0.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.81525E-02 ppm1      0.931 ppm2      0.763 CV     1
 ASSI { 1215}
   (( segid "PROT" and resid 108  and name HB2 ))
   (( segid "PROT" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.25278E-02 ppm1      2.800 ppm2      4.675 CV     1
 ASSI { 1216}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 108  and name HA  ))
      2.700     0.900     0.900 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.29626E-02 ppm1      3.065 ppm2      4.670 CV     1
 ASSI { 1217}
   (( segid "PROT" and resid 11   and name HB1 ))
   (( segid "PROT" and resid 11   and name HA  ))
      3.700     1.700     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.60908E-03 ppm1      1.980 ppm2      4.362 CV     1
 ASSI { 1218}
   (( segid "PROT" and resid 11   and name HB2 ))
   (( segid "PROT" and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.79279E-03 ppm1      2.312 ppm2      3.789 CV     1
 ASSI { 1223}
   (( segid "PROT" and resid 16   and name HB2 ))
   (( segid "PROT" and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.26691E-02 ppm1      1.732 ppm2      1.984 CV     1
 ASSI { 1225}
   (( segid "PROT" and resid 57   and name HB1 ))
   (( segid "PROT" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.30538E-02 ppm1      2.087 ppm2      4.071 CV     1
 ASSI { 1226}
   (( segid "PROT" and resid 20   and name HB2 ))
   (( segid "PROT" and resid 20   and name HD2 ))
      2.500     2.500     3.500 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.41189E-02 ppm1      1.746 ppm2      3.415 CV     1
 ASSI { 1228}
   (( segid "PROT" and resid 89   and name HB  ))
   (( segid "PROT" and resid 86   and name HA  ))
      4.700     2.800     1.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.14517E-03 ppm1      1.710 ppm2      3.167 CV     1
 ASSI { 1229}
   (( segid "PROT" and resid 11   and name HB1 ))
   (( segid "PROT" and resid 11   and name HG2 ))
      3.300     1.400     1.400 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.81698E-03 ppm1      1.987 ppm2      2.793 CV     1
 OR { 1229}
   (( segid "PROT" and resid 11   and name HB1 ))
   (( segid "PROT" and resid 11   and name HG1 ))
 ASSI { 1232}
   (( segid "PROT" and resid 103  and name HB2 ))
   (( segid "PROT" and resid 109  and name HG11))
      2.000     0.500     0.500 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.81660E-02 ppm1      1.990 ppm2      1.723 CV     1
 ASSI { 1239}
   (( segid "PROT" and resid 109  and name HG12))
   (( segid "PROT" and resid 103  and name HG2 ))
      3.300     1.400     1.400 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.24495E-02 ppm1      0.946 ppm2      2.175 CV     1
 OR { 1239}
   (( segid "PROT" and resid 109  and name HG12))
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI { 1240}
   (( segid "PROT" and resid 75   and name HG12))
   (( segid "PROT" and resid 75   and name HG11))
      1.700     0.400     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.11980E-01 ppm1      1.342 ppm2      2.118 CV     1
 ASSI { 1241}
   (( segid "PROT" and resid 109  and name HG12))
   (( segid "PROT" and resid 103  and name HB1 ))
      4.000     2.000     2.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.98037E-03 ppm1      0.940 ppm2      2.110 CV     1
 ASSI { 1248}
   (( segid "PROT" and resid 75   and name HG12))
   (  segid "PROT" and resid 75   and name HD1%)
      2.200     0.600     0.600 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.61379E-02 ppm1      1.333 ppm2      1.021 CV     1
 OR { 1248}
   (( segid "PROT" and resid 75   and name HG12))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI { 1249}
   (( segid "PROT" and resid 109  and name HG11))
   (  segid "PROT" and resid 109  and name HD1%)
      2.300     0.700     0.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.59095E-02 ppm1      1.713 ppm2      0.759 CV     1
 ASSI { 1250}
   (( segid "PROT" and resid 74   and name HB2 ))
   (  segid "PROT" and resid 78   and name HG2%)
      3.600     1.600     1.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.35722E-03 ppm1      1.278 ppm2      0.402 CV     1
 ASSI { 1251}
   (( segid "PROT" and resid 74   and name HB1 ))
   (  segid "PROT" and resid 78   and name HG2%)
      5.400     3.700     0.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.10632E-03 ppm1      1.871 ppm2      0.394 CV     1
 ASSI { 1254}
   (( segid "PROT" and resid 57   and name HG2 ))
   (( segid "PROT" and resid 57   and name HA  ))
      3.000     1.100     1.100 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.26182E-02 ppm1      1.592 ppm2      4.069 CV     1
 ASSI { 1255}
   (( segid "PROT" and resid 12   and name HB2 ))
   (( segid "PROT" and resid 12   and name HA  ))
      2.000     0.500     0.500 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.19756E-01 ppm1      2.191 ppm2      4.033 CV     1
 OR { 1255}
   (( segid "PROT" and resid 12   and name HB1 ))
   (( segid "PROT" and resid 12   and name HA  ))
 ASSI { 1257}
   (( segid "PROT" and resid 18   and name HG11))
   (( segid "PROT" and resid 18   and name HA  ))
      2.900     1.100     1.100 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.23057E-02 ppm1      1.822 ppm2      3.482 CV     1
 ASSI { 1258}
   (( segid "PROT" and resid 57   and name HG1 ))
   (( segid "PROT" and resid 57   and name HD2 ))
      2.900     1.100     1.100 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.22688E-02 ppm1      2.113 ppm2      3.420 CV     1
 ASSI { 1259}
   (( segid "PROT" and resid 57   and name HG2 ))
   (( segid "PROT" and resid 57   and name HD2 ))
      2.700     0.900     0.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.20330E-02 ppm1      1.603 ppm2      3.426 CV     1
 ASSI { 1261}
   (( segid "PROT" and resid 57   and name HG2 ))
   (( segid "PROT" and resid 57   and name HG1 ))
      1.700     0.400     0.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.15926E-01 ppm1      1.587 ppm2      2.119 CV     1
 OR { 1261}
   (( segid "PROT" and resid 57   and name HG2 ))
   (( segid "PROT" and resid 57   and name HB1 ))
 ASSI { 1263}
   (( segid "PROT" and resid 18   and name HG12))
   (( segid "PROT" and resid 18   and name HG11))
      1.800     0.400     0.400 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.11647E-01 ppm1      0.819 ppm2      1.835 CV     1
 ASSI { 1264}
   (( segid "PROT" and resid 57   and name HG2 ))
   (( segid "PROT" and resid 18   and name HG11))
      2.500     2.500     3.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.25086E-02 ppm1      1.592 ppm2      1.824 CV     1
 ASSI { 1266}
   (( segid "PROT" and resid 57   and name HG1 ))
   (( segid "PROT" and resid 57   and name HG2 ))
      1.700     0.400     0.500 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.15255E-01 ppm1      2.112 ppm2      1.594 CV     1
 ASSI { 1268}
   (( segid "PROT" and resid 95   and name HB1 ))
   (( segid "PROT" and resid 95   and name HA  ))
      2.400     0.700     0.700 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.75628E-02 ppm1      2.017 ppm2      4.098 CV     1
 ASSI { 1273}
   (( segid "PROT" and resid 90   and name HD2 ))
   (( segid "PROT" and resid 90   and name HE1 ))
      2.500     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.28143E-02 ppm1      0.789 ppm2      2.235 CV     1
 ASSI { 1275}
   (( segid "PROT" and resid 90   and name HD1 ))
   (( segid "PROT" and resid 90   and name HG1 ))
      2.300     0.600     0.600 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.12867E-01 ppm1      1.217 ppm2      1.831 CV     1
 ASSI { 1277}
   (( segid "PROT" and resid 90   and name HD2 ))
   (( segid "PROT" and resid 90   and name HB2 ))
      2.500     0.800     0.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.37420E-02 ppm1      0.785 ppm2      1.497 CV     1
 ASSI { 1279}
   (( segid "PROT" and resid 90   and name HD1 ))
   (( segid "PROT" and resid 90   and name HD2 ))
      1.800     0.400     0.400 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.91697E-02 ppm1      1.218 ppm2      0.793 CV     1
 ASSI { 1280}
   (( segid "PROT" and resid 56   and name HD2 ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.100     1.200     1.200 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.34556E-02 ppm1      1.734 ppm2      4.551 CV     1
 OR { 1280}
   (( segid "PROT" and resid 56   and name HD1 ))
   (( segid "PROT" and resid 56   and name HA  ))
 ASSI { 1290}
   (( segid "PROT" and resid 76   and name HB1 ))
   (  segid "PROT" and resid 77   and name HG2%)
      5.300     3.500     0.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.10588E-03 ppm1      2.189 ppm2      1.232 CV     1
 ASSI { 1292}
   (( segid "PROT" and resid 62   and name HD2 ))
   (( segid "PROT" and resid 62   and name HA  ))
      3.500     1.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.13808E-02 ppm1      1.444 ppm2      4.522 CV     1
 ASSI { 1293}
   (( segid "PROT" and resid 112  and name HD1 ))
   (( segid "PROT" and resid 100  and name HA  ))
      2.800     0.900     0.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.39417E-02 ppm1      1.748 ppm2      4.393 CV     1
 OR { 1293}
   (( segid "PROT" and resid 112  and name HD2 ))
   (( segid "PROT" and resid 100  and name HA  ))
 ASSI { 1294}
   (( segid "PROT" and resid 29   and name HB1 ))
   (( segid "PROT" and resid 28   and name HA  ))
      3.500     1.500     1.500 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.18970E-02 ppm1      2.046 ppm2      4.257 CV     1
 OR { 1294}
   (( segid "PROT" and resid 29   and name HB2 ))
   (( segid "PROT" and resid 28   and name HA  ))
 ASSI { 1295}
   (( segid "PROT" and resid 98   and name HB1 ))
   (( segid "PROT" and resid 98   and name HA  ))
      2.100     0.500     0.500 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.16307E-01 ppm1      2.199 ppm2      4.053 CV     1
 OR { 1295}
   (( segid "PROT" and resid 98   and name HB2 ))
   (( segid "PROT" and resid 98   and name HA  ))
 ASSI { 1301}
   (( segid "PROT" and resid 97   and name HG11))
   (( segid "PROT" and resid 97   and name HG12))
      1.800     0.400     0.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.10762E-01 ppm1      2.029 ppm2      1.421 CV     1
 ASSI { 1302}
   (( segid "PROT" and resid 62   and name HD2 ))
   (( segid "PROT" and resid 62   and name HG1 ))
      2.100     0.500     0.500 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.10948E-01 ppm1      1.416 ppm2      1.300 CV     1
 ASSI { 1303}
   (( segid "PROT" and resid 97   and name HG11))
   (  segid "PROT" and resid 60   and name HE% )
      3.300     3.300     2.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.94296E-03 ppm1      2.060 ppm2      1.227 CV     1
 ASSI { 1304}
   (( segid "PROT" and resid 62   and name HD2 ))
   (( segid "PROT" and resid 62   and name HG2 ))
      2.200     0.600     0.600 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.90618E-02 ppm1      1.433 ppm2      1.185 CV     1
 ASSI { 1305}
   (( segid "PROT" and resid 29   and name HB2 ))
   (  segid "PROT" and resid 47   and name HD2%)
      2.500     2.500     3.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.71315E-02 ppm1      2.025 ppm2      0.855 CV     1
 OR { 1305}
   (( segid "PROT" and resid 29   and name HB1 ))
   (  segid "PROT" and resid 47   and name HD2%)
 ASSI { 1307}
   (( segid "PROT" and resid 46   and name HB1 ))
   (( segid "PROT" and resid 46   and name HA  ))
      2.100     0.600     0.600 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.11389E-01 ppm1      2.167 ppm2      4.340 CV     1
 OR { 1307}
   (( segid "PROT" and resid 46   and name HB2 ))
   (( segid "PROT" and resid 46   and name HA  ))
 ASSI { 1308}
   (( segid "PROT" and resid 9    and name HD1 ))
   (( segid "PROT" and resid 9    and name HA  ))
      2.500     0.800     0.800 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.42695E-02 ppm1      1.719 ppm2      4.225 CV     1
 OR { 1308}
   (( segid "PROT" and resid 9    and name HD2 ))
   (( segid "PROT" and resid 9    and name HA  ))
 ASSI { 1309}
   (( segid "PROT" and resid 120  and name HD2 ))
   (( segid "PROT" and resid 120  and name HA  ))
      2.900     1.000     1.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.38196E-02 ppm1      1.580 ppm2      4.009 CV     1
 OR { 1309}
   (( segid "PROT" and resid 120  and name HD1 ))
   (( segid "PROT" and resid 120  and name HA  ))
 ASSI { 1310}
   (( segid "PROT" and resid 97   and name HG12))
   (( segid "PROT" and resid 97   and name HA  ))
      4.100     2.100     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.20748E-03 ppm1      1.406 ppm2      3.898 CV     1
 ASSI { 1311}
   (( segid "PROT" and resid 92   and name HG11))
   (( segid "PROT" and resid 90   and name HA  ))
      4.600     2.600     1.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.14932E-03 ppm1      1.704 ppm2      3.871 CV     1
 ASSI { 1313}
   (( segid "PROT" and resid 120  and name HD1 ))
   (( segid "PROT" and resid 120  and name HE2 ))
      2.300     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.67349E-02 ppm1      1.583 ppm2      2.836 CV     1
 OR { 1313}
   (( segid "PROT" and resid 120  and name HD2 ))
   (( segid "PROT" and resid 120  and name HE2 ))
 ASSI { 1314}
   (( segid "PROT" and resid 98   and name HB2 ))
   (( segid "PROT" and resid 98   and name HG1 ))
      1.900     0.400     0.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.30315E-01 ppm1      2.203 ppm2      2.411 CV     1
 OR { 1314}
   (( segid "PROT" and resid 98   and name HB1 ))
   (( segid "PROT" and resid 98   and name HG2 ))
 OR { 1314}
   (( segid "PROT" and resid 98   and name HB1 ))
   (( segid "PROT" and resid 98   and name HG1 ))
 OR { 1314}
   (( segid "PROT" and resid 98   and name HB2 ))
   (( segid "PROT" and resid 98   and name HG2 ))
 ASSI { 1315}
   (( segid "PROT" and resid 97   and name HG12))
   (( segid "PROT" and resid 97   and name HB  ))
      4.800     2.900     1.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.11622E-03 ppm1      1.438 ppm2      2.354 CV     1
 ASSI { 1317}
   (( segid "PROT" and resid 97   and name HG12))
   (  segid "PROT" and resid 97   and name HG2%)
      2.600     0.800     0.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.42948E-02 ppm1      1.424 ppm2      0.953 CV     1
 ASSI { 1318}
   (( segid "PROT" and resid 97   and name HG11))
   (  segid "PROT" and resid 97   and name HD1%)
      2.400     0.700     0.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.56740E-02 ppm1      2.040 ppm2      0.733 CV     1
 ASSI { 1320}
   (( segid "PROT" and resid 120  and name HD2 ))
   (  segid "PROT" and resid 92   and name HD1%)
      3.000     3.000     3.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.35647E-02 ppm1      1.578 ppm2      0.505 CV     1
 OR { 1320}
   (( segid "PROT" and resid 120  and name HD1 ))
   (  segid "PROT" and resid 92   and name HD1%)
 ASSI { 1321}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 21   and name HA  ))
      2.700     2.700     3.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.95496E-02 ppm1      2.137 ppm2      4.425 CV     1
 OR { 1321}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 21   and name HA  ))
 ASSI { 1325}
   (( segid "PROT" and resid 70   and name HG2 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      2.700     0.900     0.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.51687E-02 ppm1      1.786 ppm2      3.618 CV     1
 ASSI { 1326}
   (( segid "PROT" and resid 70   and name HG1 ))
   (( segid "PROT" and resid 70   and name HB1 ))
      2.500     0.800     0.800 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.28101E-02 ppm1      1.911 ppm2      2.612 CV     1
 ASSI { 1327}
   (( segid "PROT" and resid 70   and name HG2 ))
   (( segid "PROT" and resid 70   and name HB1 ))
      3.800     1.800     1.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.77495E-03 ppm1      1.793 ppm2      2.613 CV     1
 ASSI { 1328}
   (( segid "PROT" and resid 120  and name HD1 ))
   (( segid "PROT" and resid 95   and name HG1 ))
      4.700     2.800     1.300 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.14577E-03 ppm1      1.571 ppm2      2.403 CV     1
 OR { 1328}
   (( segid "PROT" and resid 120  and name HD2 ))
   (( segid "PROT" and resid 95   and name HG1 ))
 ASSI { 1333}
   (( segid "PROT" and resid 97   and name HG11))
   (  segid "PROT" and resid 97   and name HG2%)
      3.500     1.500     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.11536E-02 ppm1      2.057 ppm2      0.956 CV     1
 ASSI { 1335}
   (( segid "PROT" and resid 46   and name HB2 ))
   (  segid "PROT" and resid 27   and name HD1%)
      2.700     2.700     3.300 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.40782E-02 ppm1      2.153 ppm2      0.822 CV     1
 OR { 1335}
   (( segid "PROT" and resid 46   and name HB1 ))
   (  segid "PROT" and resid 27   and name HD1%)
 ASSI { 1336}
   (( segid "PROT" and resid 15   and name HB1 ))
   (( segid "PROT" and resid 15   and name HA  ))
      3.200     1.300     1.300 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.16145E-02 ppm1      2.595 ppm2      4.564 CV     1
 ASSI { 1337}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.92133E-02 ppm1      2.118 ppm2      4.484 CV     1
 OR { 1337}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 20   and name HA  ))
 ASSI { 1340}
   (( segid "PROT" and resid 15   and name HB1 ))
   (( segid "PROT" and resid 12   and name HA  ))
      3.400     1.400     1.400 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.13721E-02 ppm1      2.596 ppm2      4.031 CV     1
 ASSI { 1346}
   (( segid "PROT" and resid 92   and name HG12))
   (( segid "PROT" and resid 92   and name HA  ))
      2.900     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      0.819 ppm2      3.548 CV     1
 ASSI { 1347}
   (( segid "PROT" and resid 16   and name HG1 ))
   (( segid "PROT" and resid 16   and name HD2 ))
      2.900     1.100     1.100 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.29185E-02 ppm1      1.940 ppm2      3.525 CV     1
 ASSI { 1348}
   (( segid "PROT" and resid 15   and name HB1 ))
   (( segid "PROT" and resid 16   and name HD2 ))
      4.900     3.000     1.100 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.19876E-03 ppm1      2.597 ppm2      3.519 CV     1
 ASSI { 1349}
   (( segid "PROT" and resid 15   and name HB1 ))
   (( segid "PROT" and resid 15   and name HG1 ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.45802E-02 ppm1      2.596 ppm2      2.861 CV     1
 ASSI { 1350}
   (( segid "PROT" and resid 15   and name HB2 ))
   (( segid "PROT" and resid 15   and name HG1 ))
      2.600     0.900     0.900 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.23782E-02 ppm1      2.219 ppm2      2.864 CV     1
 ASSI { 1353}
   (( segid "PROT" and resid 15   and name HB1 ))
   (( segid "PROT" and resid 15   and name HB2 ))
      1.800     0.400     0.400 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.97633E-02 ppm1      2.596 ppm2      2.226 CV     1
 ASSI { 1354}
   (( segid "PROT" and resid 15   and name HB1 ))
   (  segid "PROT" and resid 15   and name HE% )
      2.500     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.42859E-02 ppm1      2.590 ppm2      2.056 CV     1
 ASSI { 1356}
   (( segid "PROT" and resid 92   and name HG12))
   (( segid "PROT" and resid 88   and name HB2 ))
      2.900     2.900     3.100 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.90683E-03 ppm1      0.822 ppm2      1.860 CV     1
 ASSI { 1358}
   (( segid "PROT" and resid 92   and name HG12))
   (( segid "PROT" and resid 120  and name HB2 ))
      2.900     1.100     1.100 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.35877E-02 ppm1      0.818 ppm2      1.585 CV     1
 OR { 1358}
   (( segid "PROT" and resid 92   and name HG12))
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI { 1359}
   (( segid "PROT" and resid 92   and name HG11))
   (( segid "PROT" and resid 92   and name HG12))
      1.700     0.300     0.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.17012E-01 ppm1      1.696 ppm2      0.824 CV     1
 ASSI { 1365}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 20   and name HD1 ))
      2.200     0.600     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.62142E-02 ppm1      2.134 ppm2      3.557 CV     1
 OR { 1365}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 20   and name HD1 ))
 ASSI { 1366}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 20   and name HD2 ))
      2.200     0.600     0.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.76199E-02 ppm1      2.116 ppm2      3.404 CV     1
 OR { 1366}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 20   and name HD2 ))
 ASSI { 1370}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.76937E-02 ppm1      2.143 ppm2      1.759 CV     1
 OR { 1370}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 20   and name HB2 ))
 ASSI { 1372}
   (( segid "PROT" and resid 90   and name HG2 ))
   (( segid "PROT" and resid 90   and name HD1 ))
      3.400     1.500     1.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.43876E-03 ppm1      0.727 ppm2      1.228 CV     1
 ASSI { 1378}
   (( segid "PROT" and resid 90   and name HG1 ))
   (( segid "PROT" and resid 91   and name HA2 ))
      6.000     4.900     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.47649E-04 ppm1      1.812 ppm2      3.985 CV     1
 OR { 1378}
   (( segid "PROT" and resid 90   and name HG1 ))
   (( segid "PROT" and resid 91   and name HA1 ))
 ASSI { 1379}
   (( segid "PROT" and resid 90   and name HG1 ))
   (( segid "PROT" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.22632E-02 ppm1      1.834 ppm2      3.887 CV     1
 ASSI { 1381}
   (( segid "PROT" and resid 50   and name HG  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      6.000     5.800     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.15063E-04 ppm1      1.567 ppm2      2.770 CV     1
 ASSI { 1382}
   (( segid "PROT" and resid 50   and name HG  ))
   (( segid "PROT" and resid 50   and name HB1 ))
      2.900     1.000     1.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.16790E-02 ppm1      1.602 ppm2      2.284 CV     1
 ASSI { 1383}
   (( segid "PROT" and resid 90   and name HG1 ))
   (( segid "PROT" and resid 90   and name HE1 ))
      2.700     0.900     0.900 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.22417E-02 ppm1      1.811 ppm2      2.223 CV     1
 ASSI { 1384}
   (( segid "PROT" and resid 90   and name HG2 ))
   (( segid "PROT" and resid 90   and name HE1 ))
      3.500     1.500     1.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.83418E-03 ppm1      0.693 ppm2      2.227 CV     1
 ASSI { 1385}
   (( segid "PROT" and resid 90   and name HG2 ))
   (( segid "PROT" and resid 90   and name HE2 ))
      2.800     1.000     1.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.13448E-02 ppm1      0.709 ppm2      2.144 CV     1
 ASSI { 1392}
   (( segid "PROT" and resid 90   and name HG1 ))
   (  segid "PROT" and resid 75   and name HD1%)
      2.800     2.800     3.200 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      1.839 ppm2      1.015 CV     1
 OR { 1392}
   (( segid "PROT" and resid 90   and name HG1 ))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI { 1393}
   (( segid "PROT" and resid 50   and name HG  ))
   (  segid "PROT" and resid 50   and name HD2%)
      1.900     0.400     0.400 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.23892E-01 ppm1      1.573 ppm2      0.938 CV     1
 OR { 1393}
   (( segid "PROT" and resid 50   and name HG  ))
   (  segid "PROT" and resid 50   and name HD1%)
 ASSI { 1395}
   (( segid "PROT" and resid 90   and name HG1 ))
   (( segid "PROT" and resid 90   and name HG2 ))
      1.800     0.400     0.400 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.95001E-02 ppm1      1.826 ppm2      0.705 CV     1
 ASSI { 1398}
   (( segid "PROT" and resid 25   and name HG  ))
   (( segid "PROT" and resid 25   and name HA  ))
      2.900     1.100     1.100 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1      1.765 ppm2      4.243 CV     1
 ASSI { 1399}
   (( segid "PROT" and resid 50   and name HG  ))
   (( segid "PROT" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20207E-02 ppm1      1.563 ppm2      3.977 CV     1
 ASSI { 1400}
   (( segid "PROT" and resid 27   and name HG11))
   (( segid "PROT" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.83669E-03 ppm1      1.530 ppm2      3.853 CV     1
 ASSI { 1401}
   (( segid "PROT" and resid 27   and name HG12))
   (( segid "PROT" and resid 32   and name HA  ))
      3.600     3.600     2.400 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      1.128 ppm2      3.860 CV     1
 ASSI { 1404}
   (( segid "PROT" and resid 25   and name HG  ))
   (( segid "PROT" and resid 24   and name HG2 ))
      4.800     2.900     1.200 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.16019E-03 ppm1      1.777 ppm2      2.395 CV     1
 ASSI { 1405}
   (( segid "PROT" and resid 25   and name HG  ))
   (( segid "PROT" and resid 25   and name HB1 ))
      1.800     1.800     4.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.25027E-01 ppm1      1.764 ppm2      1.642 CV     1
 OR { 1405}
   (( segid "PROT" and resid 25   and name HG  ))
   (( segid "PROT" and resid 25   and name HB2 ))
 ASSI { 1407}
   (( segid "PROT" and resid 27   and name HG11))
   (( segid "PROT" and resid 27   and name HG12))
      1.800     0.400     0.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.11341E-01 ppm1      1.523 ppm2      1.109 CV     1
 ASSI { 1409}
   (( segid "PROT" and resid 27   and name HG12))
   (  segid "PROT" and resid 27   and name HD1%)
      2.300     0.600     0.600 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.80858E-02 ppm1      1.110 ppm2      0.835 CV     1
 ASSI { 1410}
   (( segid "PROT" and resid 61   and name HG  ))
   (  segid "PROT" and resid 61   and name HD2%)
      2.100     0.500     0.500 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.12255E-01 ppm1      1.397 ppm2      0.709 CV     1
 ASSI { 1411}
   (( segid "PROT" and resid 79   and name HB2 ))
   (( segid "PROT" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.39244E-02 ppm1      3.387 ppm2      4.574 CV     1
 ASSI { 1412}
   (( segid "PROT" and resid 79   and name HB1 ))
   (( segid "PROT" and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      3.016 ppm2      4.577 CV     1
 ASSI { 1414}
   (( segid "PROT" and resid 47   and name HG  ))
   (( segid "PROT" and resid 44   and name HA  ))
      6.000     6.000     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.15274E-04 ppm1      1.738 ppm2      4.497 CV     1
 ASSI { 1417}
   (( segid "PROT" and resid 79   and name HB2 ))
   (( segid "PROT" and resid 79   and name HB1 ))
      1.800     0.400     0.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.12734E-01 ppm1      3.387 ppm2      3.026 CV     1
 ASSI { 1419}
   (( segid "PROT" and resid 25   and name HG  ))
   (( segid "PROT" and resid 21   and name HB1 ))
      6.000     4.700     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.17040E-04 ppm1      1.747 ppm2      2.779 CV     1
 ASSI { 1421}
   (( segid "PROT" and resid 47   and name HG  ))
   (( segid "PROT" and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.25731E-02 ppm1      1.758 ppm2      1.968 CV     1
 ASSI { 1427}
   (( segid "PROT" and resid 14   and name HG  ))
   (  segid "PROT" and resid 14   and name HD1%)
      3.100     1.200     1.200 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      2.295 ppm2      1.140 CV     1
 ASSI { 1429}
   (( segid "PROT" and resid 14   and name HG  ))
   (  segid "PROT" and resid 14   and name HD2%)
      2.700     0.900     0.900 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.23707E-02 ppm1      2.288 ppm2      0.969 CV     1
 ASSI { 1430}
   (( segid "PROT" and resid 47   and name HG  ))
   (  segid "PROT" and resid 47   and name HD1%)
      2.200     0.600     0.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.98133E-02 ppm1      1.743 ppm2      0.943 CV     1
 ASSI { 1431}
   (( segid "PROT" and resid 79   and name HB2 ))
   (  segid "PROT" and resid 86   and name HD1%)
      5.300     3.500     0.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.10332E-03 ppm1      3.384 ppm2      0.853 CV     1
 ASSI { 1433}
   (( segid "PROT" and resid 79   and name HB1 ))
   (  segid "PROT" and resid 1    and name HD1%)
      3.000     3.000     3.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      3.023 ppm2      0.823 CV     1
 ASSI { 1434}
   (( segid "PROT" and resid 66   and name HG  ))
   (  segid "PROT" and resid 66   and name HD1%)
      2.200     0.600     0.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.93448E-02 ppm1      1.454 ppm2      0.761 CV     1
 ASSI { 1435}
   (( segid "PROT" and resid 79   and name HB2 ))
   (( segid "PROT" and resid 86   and name HG12))
      2.700     0.900     0.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.15574E-02 ppm1      3.387 ppm2      0.672 CV     1
 ASSI { 1436}
   (( segid "PROT" and resid 79   and name HB1 ))
   (( segid "PROT" and resid 86   and name HG12))
      3.100     1.200     1.200 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.27216E-02 ppm1      3.016 ppm2      0.681 CV     1
 ASSI { 1437}
   (( segid "PROT" and resid 66   and name HG  ))
   (  segid "PROT" and resid 66   and name HD2%)
      2.400     0.700     0.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.58800E-02 ppm1      1.454 ppm2      0.565 CV     1
 ASSI { 1438}
   (( segid "PROT" and resid 1    and name HG11))
   (( segid "PROT" and resid 1    and name HB  ))
      2.800     1.000     1.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.19579E-02 ppm1      1.575 ppm2      2.001 CV     1
 ASSI { 1440}
   (( segid "PROT" and resid 1    and name HG12))
   (  segid "PROT" and resid 1    and name HD1%)
      2.700     0.900     0.900 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.27408E-02 ppm1      1.224 ppm2      0.840 CV     1
 ASSI { 1445}
   (( segid "PROT" and resid 120  and name HG1 ))
   (( segid "PROT" and resid 120  and name HA  ))
      2.500     0.800     0.800 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.48004E-02 ppm1      1.510 ppm2      4.012 CV     1
 ASSI { 1446}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 97   and name HA  ))
      2.900     1.100     1.100 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.20180E-02 ppm1      0.758 ppm2      3.891 CV     1
 ASSI { 1447}
   (( segid "PROT" and resid 1    and name HG12))
   (( segid "PROT" and resid 1    and name HA  ))
      3.200     1.300     1.300 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.19568E-02 ppm1      1.237 ppm2      3.744 CV     1
 ASSI { 1450}
   (( segid "PROT" and resid 120  and name HG2 ))
   (( segid "PROT" and resid 120  and name HE1 ))
      2.700     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.32269E-02 ppm1      1.586 ppm2      2.881 CV     1
 ASSI { 1451}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 113  and name HB2 ))
      3.600     1.700     1.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.70321E-03 ppm1      0.757 ppm2      2.833 CV     1
 OR { 1451}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 113  and name HB1 ))
 ASSI { 1454}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 101  and name HB1 ))
      4.500     2.500     1.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.19810E-03 ppm1      0.762 ppm2      1.910 CV     1
 OR { 1454}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 101  and name HB2 ))
 ASSI { 1458}
   (( segid "PROT" and resid 1    and name HG11))
   (( segid "PROT" and resid 1    and name HG12))
      1.900     0.400     0.400 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.95739E-02 ppm1      1.586 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid "PROT" and resid 1    and name HG12))
   (  segid "PROT" and resid 1    and name HG2%)
      2.200     2.200     3.800 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.90439E-02 ppm1      1.217 ppm2      0.973 CV     1
 ASSI { 1462}
   (  segid "PROT" and resid 66   and name HD1%)
   (  segid "PROT" and resid 66   and name HD2%)
      2.100     2.100     3.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.13347E-01 ppm1      0.757 ppm2      0.586 CV     1
 ASSI { 1463}
   (( segid "PROT" and resid 120  and name HG2 ))
   (  segid "PROT" and resid 92   and name HD1%)
      3.200     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.28767E-02 ppm1      1.581 ppm2      0.498 CV     1
 ASSI { 1465}
   (( segid "PROT" and resid 26   and name HB1 ))
   (( segid "PROT" and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.25709E-02 ppm1      3.469 ppm2      4.312 CV     1
 ASSI { 1466}
   (( segid "PROT" and resid 26   and name HB2 ))
   (( segid "PROT" and resid 26   and name HA  ))
      2.600     0.800     0.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.38180E-02 ppm1      3.297 ppm2      4.310 CV     1
 ASSI { 1467}
   (( segid "PROT" and resid 69   and name HB2 ))
   (( segid "PROT" and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.24472E-02 ppm1      2.189 ppm2      3.846 CV     1
 ASSI { 1468}
   (( segid "PROT" and resid 69   and name HB1 ))
   (( segid "PROT" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.16843E-02 ppm1      2.007 ppm2      3.842 CV     1
 ASSI { 1470}
   (( segid "PROT" and resid 69   and name HB2 ))
   (( segid "PROT" and resid 70   and name HD2 ))
      3.000     1.100     1.100 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      2.195 ppm2      3.714 CV     1
 ASSI { 1471}
   (( segid "PROT" and resid 69   and name HB1 ))
   (( segid "PROT" and resid 70   and name HD2 ))
      4.600     2.600     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.79318E-03 ppm1      1.997 ppm2      3.704 CV     1
 ASSI { 1473}
   (( segid "PROT" and resid 69   and name HB1 ))
   (( segid "PROT" and resid 70   and name HD1 ))
      3.500     1.500     1.500 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.27904E-02 ppm1      1.994 ppm2      3.622 CV     1
 ASSI { 1476}
   (( segid "PROT" and resid 26   and name HB1 ))
   (( segid "PROT" and resid 26   and name HB2 ))
      1.900     0.400     0.400 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.13166E-01 ppm1      3.476 ppm2      3.298 CV     1
 ASSI { 1478}
   (( segid "PROT" and resid 69   and name HB2 ))
   (( segid "PROT" and resid 67   and name HB1 ))
      5.700     4.100     0.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.61227E-04 ppm1      2.213 ppm2      3.173 CV     1
 ASSI { 1482}
   (( segid "PROT" and resid 69   and name HB1 ))
   (( segid "PROT" and resid 69   and name HG2 ))
      3.400     1.400     1.400 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.66849E-03 ppm1      2.015 ppm2      2.341 CV     1
 ASSI { 1485}
   (  segid "PROT" and resid 14   and name HD2%)
   (( segid "PROT" and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.43665E-02 ppm1      0.953 ppm2      2.067 CV     1
 ASSI { 1486}
   (( segid "PROT" and resid 69   and name HB2 ))
   (( segid "PROT" and resid 69   and name HB1 ))
      1.800     0.400     0.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.11702E-01 ppm1      2.197 ppm2      2.001 CV     1
 ASSI { 1487}
   (( segid "PROT" and resid 69   and name HB2 ))
   (( segid "PROT" and resid 70   and name HG2 ))
      4.100     2.100     1.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.13229E-02 ppm1      2.190 ppm2      1.803 CV     1
 ASSI { 1490}
   (( segid "PROT" and resid 26   and name HB1 ))
   (( segid "PROT" and resid 27   and name HG12))
      4.900     3.100     1.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.78548E-04 ppm1      3.463 ppm2      1.125 CV     1
 ASSI { 1492}
   (( segid "PROT" and resid 121  and name HG  ))
   (  segid "PROT" and resid 121  and name HD2%)
      2.600     0.900     0.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.27335E-02 ppm1      1.108 ppm2      0.737 CV     1
 ASSI { 1494}
   (( segid "PROT" and resid 58   and name HG12))
   (( segid "PROT" and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.41606E-03 ppm1      1.230 ppm2      4.567 CV     1
 ASSI { 1497}
   (  segid "PROT" and resid 61   and name HD1%)
   (( segid "PROT" and resid 52   and name HA  ))
      3.000     3.000     3.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.25922E-02 ppm1      0.858 ppm2      4.127 CV     1
 ASSI { 1498}
   (  segid "PROT" and resid 50   and name HD2%)
   (( segid "PROT" and resid 50   and name HA  ))
      2.900     1.100     1.100 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      0.962 ppm2      3.977 CV     1
 ASSI { 1500}
   (  segid "PROT" and resid 50   and name HD2%)
   (( segid "PROT" and resid 22   and name HA  ))
      3.000     3.000     3.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.14330E-02 ppm1      0.966 ppm2      3.827 CV     1
 ASSI { 1501}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.34267E-02 ppm1      2.440 ppm2      3.772 CV     1
 ASSI { 1502}
   (( segid "PROT" and resid 59   and name HB1 ))
   (( segid "PROT" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.54265E-02 ppm1      2.119 ppm2      3.771 CV     1
 ASSI { 1508}
   (  segid "PROT" and resid 50   and name HD2%)
   (( segid "PROT" and resid 21   and name HB1 ))
      4.200     2.200     1.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18235E-03 ppm1      0.973 ppm2      2.765 CV     1
 ASSI { 1509}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 70   and name HB1 ))
      3.800     1.800     1.800 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.33855E-03 ppm1      2.452 ppm2      2.613 CV     1
 ASSI { 1510}
   (( segid "PROT" and resid 59   and name HB1 ))
   (( segid "PROT" and resid 70   and name HB1 ))
      3.800     1.800     1.800 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.34666E-03 ppm1      2.108 ppm2      2.613 CV     1
 ASSI { 1511}
   (( segid "PROT" and resid 58   and name HG12))
   (( segid "PROT" and resid 70   and name HB1 ))
      6.000     6.000     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.14400E-04 ppm1      1.255 ppm2      2.611 CV     1
 ASSI { 1513}
   (( segid "PROT" and resid 59   and name HB1 ))
   (( segid "PROT" and resid 59   and name HB2 ))
      1.800     0.400     0.400 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.15169E-01 ppm1      2.112 ppm2      2.451 CV     1
 ASSI { 1514}
   (( segid "PROT" and resid 58   and name HG11))
   (( segid "PROT" and resid 58   and name HB  ))
      2.700     0.900     0.900 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.19806E-02 ppm1      1.630 ppm2      2.358 CV     1
 ASSI { 1515}
   (( segid "PROT" and resid 58   and name HG12))
   (( segid "PROT" and resid 58   and name HB  ))
      2.900     1.000     1.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.26711E-02 ppm1      1.247 ppm2      2.359 CV     1
 ASSI { 1517}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 59   and name HB1 ))
      1.700     0.400     0.500 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.23252E-01 ppm1      2.442 ppm2      2.119 CV     1
 OR { 1517}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 59   and name HG2 ))
 ASSI { 1519}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 70   and name HG1 ))
      3.500     1.600     1.600 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.66201E-03 ppm1      2.433 ppm2      1.941 CV     1
 ASSI { 1521}
   (( segid "PROT" and resid 59   and name HB2 ))
   (( segid "PROT" and resid 70   and name HG2 ))
      4.000     2.000     2.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.62169E-03 ppm1      2.427 ppm2      1.798 CV     1
 ASSI { 1522}
   (( segid "PROT" and resid 58   and name HG12))
   (( segid "PROT" and resid 58   and name HG11))
      1.800     0.400     0.400 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.11568E-01 ppm1      1.271 ppm2      1.633 CV     1
 ASSI { 1524}
   (  segid "PROT" and resid 61   and name HD1%)
   (( segid "PROT" and resid 61   and name HG  ))
      2.200     0.600     0.600 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.88231E-02 ppm1      0.854 ppm2      1.415 CV     1
 OR { 1524}
   (  segid "PROT" and resid 61   and name HD1%)
   (( segid "PROT" and resid 61   and name HB2 ))
 ASSI { 1527}
   (( segid "PROT" and resid 58   and name HG12))
   (  segid "PROT" and resid 58   and name HG2%)
      2.400     2.400     3.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.42941E-02 ppm1      1.236 ppm2      0.968 CV     1
 ASSI { 1528}
   (( segid "PROT" and resid 58   and name HG11))
   (  segid "PROT" and resid 58   and name HD1%)
      2.300     0.600     0.600 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.68768E-02 ppm1      1.619 ppm2      0.818 CV     1
 ASSI { 1529}
   (( segid "PROT" and resid 58   and name HG12))
   (  segid "PROT" and resid 58   and name HD1%)
      2.300     0.600     0.600 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.70327E-02 ppm1      1.239 ppm2      0.817 CV     1
 ASSI { 1530}
   (  segid "PROT" and resid 61   and name HD1%)
   (  segid "PROT" and resid 61   and name HD2%)
      2.200     0.600     0.600 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.10058E-01 ppm1      0.866 ppm2      0.712 CV     1
 ASSI { 1531}
   (  segid "PROT" and resid 61   and name HD1%)
   (  segid "PROT" and resid 66   and name HD2%)
      2.600     2.600     3.400 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.37121E-02 ppm1      0.856 ppm2      0.581 CV     1
 ASSI { 1534}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 112  and name HA  ))
      3.400     1.500     1.500 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      1.620 ppm2      4.074 CV     1
 ASSI { 1535}
   (( segid "PROT" and resid 112  and name HG2 ))
   (( segid "PROT" and resid 112  and name HA  ))
      2.700     0.900     0.900 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.23895E-02 ppm1      1.497 ppm2      4.071 CV     1
 ASSI { 1536}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 112  and name HE1 ))
      2.700     0.900     0.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.37084E-02 ppm1      1.625 ppm2      3.001 CV     1
 OR { 1536}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 112  and name HE2 ))
 ASSI { 1537}
   (( segid "PROT" and resid 112  and name HG2 ))
   (( segid "PROT" and resid 112  and name HE1 ))
      2.500     0.800     0.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.52070E-02 ppm1      1.515 ppm2      3.003 CV     1
 OR { 1537}
   (( segid "PROT" and resid 112  and name HG2 ))
   (( segid "PROT" and resid 112  and name HE2 ))
 ASSI { 1538}
   (  segid "PROT" and resid 66   and name HD2%)
   (( segid "PROT" and resid 113  and name HB2 ))
      4.100     2.100     1.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.28479E-03 ppm1      0.559 ppm2      2.827 CV     1
 OR { 1538}
   (  segid "PROT" and resid 66   and name HD2%)
   (( segid "PROT" and resid 113  and name HB1 ))
 ASSI { 1539}
   (( segid "PROT" and resid 56   and name HG2 ))
   (( segid "PROT" and resid 56   and name HE2 ))
      2.900     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.26713E-02 ppm1      1.546 ppm2      2.793 CV     1
 ASSI { 1541}
   (( segid "PROT" and resid 58   and name HG12))
   (( segid "PROT" and resid 60   and name HB1 ))
      4.800     2.900     1.200 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.12788E-03 ppm1      1.245 ppm2      2.227 CV     1
 ASSI { 1542}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 103  and name HG1 ))
      3.400     1.400     1.400 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.54571E-03 ppm1      1.636 ppm2      2.187 CV     1
 OR { 1542}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 103  and name HG2 ))
 ASSI { 1543}
   (( segid "PROT" and resid 112  and name HG1 ))
   (( segid "PROT" and resid 103  and name HG1 ))
      3.800     1.800     1.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.29644E-03 ppm1      1.614 ppm2      2.146 CV     1
 ASSI { 1544}
   (  segid "PROT" and resid 66   and name HD2%)
   (  segid "PROT" and resid 55   and name HE% )
      3.000     3.000     3.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      0.572 ppm2      1.868 CV     1
 ASSI { 1547}
   (  segid "PROT" and resid 66   and name HD2%)
   (  segid "PROT" and resid 60   and name HE% )
      3.000     3.000     3.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.20506E-02 ppm1      0.581 ppm2      1.219 CV     1
 ASSI { 1549}
   (( segid "PROT" and resid 58   and name HG11))
   (  segid "PROT" and resid 58   and name HG2%)
      3.500     1.600     1.600 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      1.616 ppm2      0.968 CV     1
 ASSI { 1550}
   (  segid "PROT" and resid 66   and name HD2%)
   (( segid "PROT" and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.30174E-02 ppm1      0.581 ppm2      0.955 CV     1
 ASSI { 1551}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.300     1.300     1.300 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.17169E-02 ppm1      1.788 ppm2      4.559 CV     1
 ASSI { 1552}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 21   and name HA  ))
      4.100     2.100     1.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.11624E-03 ppm1      0.771 ppm2      4.424 CV     1
 ASSI { 1553}
   (( segid "PROT" and resid 9    and name HG1 ))
   (( segid "PROT" and resid 9    and name HA  ))
      3.400     1.400     1.400 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      1.709 ppm2      4.231 CV     1
 ASSI { 1558}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 53   and name HB1 ))
      2.800     2.800     3.200 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.12890E-02 ppm1      0.775 ppm2      3.579 CV     1
 ASSI { 1560}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 49   and name HB2 ))
      2.900     1.100     1.100 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.88719E-03 ppm1      0.780 ppm2      3.078 CV     1
 ASSI { 1561}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 56   and name HE2 ))
      3.700     1.700     1.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.34430E-03 ppm1      1.790 ppm2      2.788 CV     1
 ASSI { 1562}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 21   and name HB1 ))
      3.800     1.800     1.800 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.17569E-03 ppm1      0.772 ppm2      2.766 CV     1
 ASSI { 1564}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 24   and name HB2 ))
      4.100     2.100     1.900 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.11357E-03 ppm1      0.784 ppm2      2.127 CV     1
 ASSI { 1565}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 56   and name HB2 ))
      2.000     0.500     0.500 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.14944E-01 ppm1      1.767 ppm2      2.005 CV     1
 OR { 1565}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 56   and name HB1 ))
 ASSI { 1567}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.61759E-02 ppm1      0.777 ppm2      1.638 CV     1
 OR { 1567}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 25   and name HB2 ))
 ASSI { 1568}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 61   and name HB2 ))
      3.000     1.200     1.200 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.49980E-02 ppm1      1.786 ppm2      1.417 CV     1
 OR { 1568}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 61   and name HG  ))
 ASSI { 1569}
   (( segid "PROT" and resid 56   and name HG2 ))
   (( segid "PROT" and resid 61   and name HG  ))
      2.600     0.900     0.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.50265E-02 ppm1      1.537 ppm2      1.396 CV     1
 OR { 1569}
   (( segid "PROT" and resid 56   and name HG2 ))
   (( segid "PROT" and resid 61   and name HB2 ))
 ASSI { 1570}
   (( segid "PROT" and resid 56   and name HG1 ))
   (  segid "PROT" and resid 61   and name HD1%)
      4.400     2.400     1.600 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.54502E-03 ppm1      1.806 ppm2      0.858 CV     1
 ASSI { 1572}
   (  segid "PROT" and resid 88   and name HD2%)
   (( segid "PROT" and resid 85   and name HA  ))
      3.600     1.600     1.600 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.86370E-03 ppm1      0.847 ppm2      4.348 CV     1
 ASSI { 1574}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 25   and name HA  ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.68299E-03 ppm1      0.781 ppm2      4.242 CV     1
 ASSI { 1575}
   (  segid "PROT" and resid 47   and name HD1%)
   (( segid "PROT" and resid 47   and name HA  ))
      3.300     1.400     1.400 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.15068E-02 ppm1      0.940 ppm2      4.210 CV     1
 ASSI { 1577}
   (( segid "PROT" and resid 9    and name HG2 ))
   (( segid "PROT" and resid 78   and name HA  ))
      6.000     6.000     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.15445E-04 ppm1      1.567 ppm2      3.295 CV     1
 ASSI { 1580}
   (  segid "PROT" and resid 88   and name HD2%)
   (( segid "PROT" and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.22428E-02 ppm1      0.846 ppm2      1.890 CV     1
 ASSI { 1581}
   (  segid "PROT" and resid 25   and name HD2%)
   (( segid "PROT" and resid 25   and name HG  ))
      2.300     0.700     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.59411E-02 ppm1      0.794 ppm2      1.775 CV     1
 ASSI { 1582}
   (  segid "PROT" and resid 88   and name HD2%)
   (( segid "PROT" and resid 88   and name HG  ))
      2.700     0.900     0.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.26511E-02 ppm1      0.842 ppm2      1.467 CV     1
 ASSI { 1583}
   (  segid "PROT" and resid 47   and name HD1%)
   (  segid "PROT" and resid 42   and name HB% )
      2.900     2.900     3.100 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      0.956 ppm2      1.388 CV     1
 ASSI { 1584}
   (( segid "PROT" and resid 101  and name HG2 ))
   (( segid "PROT" and resid 101  and name HA  ))
      2.500     0.800     0.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.60235E-02 ppm1      1.565 ppm2      4.167 CV     1
 ASSI { 1585}
   (  segid "PROT" and resid 121  and name HD2%)
   (( segid "PROT" and resid 121  and name HA  ))
      3.200     1.300     1.300 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.28803E-02 ppm1      0.737 ppm2      3.767 CV     1
 ASSI { 1586}
   (( segid "PROT" and resid 101  and name HG2 ))
   (( segid "PROT" and resid 101  and name HE1 ))
      2.600     0.800     0.800 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.54200E-02 ppm1      1.563 ppm2      3.025 CV     1
 ASSI { 1587}
   (( segid "PROT" and resid 101  and name HG2 ))
   (( segid "PROT" and resid 101  and name HE2 ))
      2.600     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.41563E-02 ppm1      1.588 ppm2      2.937 CV     1
 ASSI { 1590}
   (  segid "PROT" and resid 121  and name HD2%)
   (  segid "PROT" and resid 92   and name HD1%)
      1.700     1.700     4.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.24703E-01 ppm1      0.761 ppm2      0.507 CV     1
 ASSI { 1592}
   (( segid "PROT" and resid 73   and name HG1 ))
   (( segid "PROT" and resid 70   and name HA  ))
      4.000     2.000     2.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.39634E-03 ppm1      1.607 ppm2      4.406 CV     1
 OR { 1592}
   (( segid "PROT" and resid 73   and name HG2 ))
   (( segid "PROT" and resid 70   and name HA  ))
 ASSI { 1594}
   (( segid "PROT" and resid 73   and name HG1 ))
   (( segid "PROT" and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.36343E-02 ppm1      1.603 ppm2      4.049 CV     1
 OR { 1594}
   (( segid "PROT" and resid 73   and name HG2 ))
   (( segid "PROT" and resid 73   and name HA  ))
 ASSI { 1595}
   (  segid "PROT" and resid 121  and name HD2%)
   (( segid "PROT" and resid 89   and name HA  ))
      5.700     4.100     0.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.44429E-04 ppm1      0.756 ppm2      3.448 CV     1
 ASSI { 1596}
   (( segid "PROT" and resid 39   and name HG2 ))
   (( segid "PROT" and resid 39   and name HE1 ))
      3.300     1.400     1.400 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.10920E-02 ppm1      1.450 ppm2      2.968 CV     1
 OR { 1596}
   (( segid "PROT" and resid 39   and name HG1 ))
   (( segid "PROT" and resid 39   and name HE2 ))
 OR { 1596}
   (( segid "PROT" and resid 39   and name HG1 ))
   (( segid "PROT" and resid 39   and name HE1 ))
 OR { 1596}
   (( segid "PROT" and resid 39   and name HG2 ))
   (( segid "PROT" and resid 39   and name HE2 ))
 ASSI { 1597}
   (( segid "PROT" and resid 73   and name HG2 ))
   (( segid "PROT" and resid 73   and name HB1 ))
      2.200     0.600     0.600 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.85331E-02 ppm1      1.590 ppm2      1.971 CV     1
 OR { 1597}
   (( segid "PROT" and resid 73   and name HG1 ))
   (( segid "PROT" and resid 73   and name HB2 ))
 OR { 1597}
   (( segid "PROT" and resid 73   and name HG2 ))
   (( segid "PROT" and resid 73   and name HB2 ))
 OR { 1597}
   (( segid "PROT" and resid 73   and name HG1 ))
   (( segid "PROT" and resid 73   and name HB1 ))
 ASSI { 1599}
   (( segid "PROT" and resid 62   and name HG1 ))
   (( segid "PROT" and resid 62   and name HA  ))
      3.300     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.16151E-02 ppm1      1.279 ppm2      4.533 CV     1
 ASSI { 1600}
   (( segid "PROT" and resid 62   and name HG2 ))
   (( segid "PROT" and resid 62   and name HA  ))
      3.800     1.800     1.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.31912E-03 ppm1      1.169 ppm2      4.536 CV     1
 ASSI { 1601}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.71893E-03 ppm1      0.922 ppm2      4.419 CV     1
 ASSI { 1602}
   (( segid "PROT" and resid 39   and name HG1 ))
   (( segid "PROT" and resid 115  and name HA  ))
      3.300     1.400     1.400 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.92698E-03 ppm1      1.422 ppm2      4.319 CV     1
 OR { 1602}
   (( segid "PROT" and resid 39   and name HG2 ))
   (( segid "PROT" and resid 115  and name HA  ))
 ASSI { 1603}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.53602E-02 ppm1      0.918 ppm2      3.982 CV     1
 ASSI { 1606}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.45433E-03 ppm1      0.910 ppm2      3.552 CV     1
 ASSI { 1608}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 21   and name HB1 ))
      2.600     0.800     0.800 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.37623E-02 ppm1      0.920 ppm2      2.765 CV     1
 ASSI { 1610}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 50   and name HB1 ))
      3.400     1.400     1.400 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.70757E-03 ppm1      0.923 ppm2      2.290 CV     1
 ASSI { 1612}
   (  segid "PROT" and resid 50   and name HD1%)
   (( segid "PROT" and resid 50   and name HG  ))
      2.200     0.600     0.600 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.92210E-02 ppm1      0.918 ppm2      1.578 CV     1
 ASSI { 1613}
   (  segid "PROT" and resid 88   and name HD1%)
   (( segid "PROT" and resid 85   and name HA  ))
      4.400     2.400     1.600 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.34429E-03 ppm1      0.905 ppm2      4.351 CV     1
 ASSI { 1614}
   (  segid "PROT" and resid 88   and name HD1%)
   (( segid "PROT" and resid 88   and name HA  ))
      2.700     0.900     0.900 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.37327E-02 ppm1      0.905 ppm2      4.041 CV     1
 ASSI { 1615}
   (  segid "PROT" and resid 7    and name HG2%)
   (( segid "PROT" and resid 7    and name HA  ))
      2.300     0.700     0.700 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.77386E-02 ppm1      1.179 ppm2      3.777 CV     1
 ASSI { 1620}
   (  segid "PROT" and resid 7    and name HG2%)
   (( segid "PROT" and resid 7    and name HB  ))
      2.500     0.800     0.800 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.45683E-02 ppm1      1.181 ppm2      2.210 CV     1
 ASSI { 1621}
   (  segid "PROT" and resid 88   and name HD1%)
   (( segid "PROT" and resid 88   and name HB1 ))
      3.300     1.400     1.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      0.900 ppm2      1.773 CV     1
 ASSI { 1622}
   (  segid "PROT" and resid 88   and name HD1%)
   (( segid "PROT" and resid 88   and name HG  ))
      2.400     0.700     0.700 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.52749E-02 ppm1      0.907 ppm2      1.467 CV     1
 ASSI { 1626}
   (  segid "PROT" and resid 88   and name HD1%)
   (( segid "PROT" and resid 88   and name HB2 ))
      3.700     1.700     1.700 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.50313E-03 ppm1      0.899 ppm2      1.889 CV     1
 ASSI { 1632}
   (  segid "PROT" and resid 61   and name HD2%)
   (( segid "PROT" and resid 64   and name HB  ))
      5.200     3.400     0.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.14334E-03 ppm1      0.699 ppm2      4.591 CV     1
 ASSI { 1634}
   (  segid "PROT" and resid 6    and name HG2%)
   (( segid "PROT" and resid 5    and name HB  ))
      4.200     2.200     1.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.30338E-03 ppm1      1.191 ppm2      4.304 CV     1
 OR { 1634}
   (  segid "PROT" and resid 6    and name HG2%)
   (( segid "PROT" and resid 5    and name HA  ))
 ASSI { 1645}
   (  segid "PROT" and resid 61   and name HD2%)
   (  segid "PROT" and resid 55   and name HE% )
      4.000     2.000     2.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.37053E-03 ppm1      0.693 ppm2      1.842 CV     1
 ASSI { 1646}
   (  segid "PROT" and resid 61   and name HD2%)
   (( segid "PROT" and resid 56   and name HG2 ))
      4.700     2.700     1.300 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.74691E-04 ppm1      0.703 ppm2      1.565 CV     1
 ASSI { 1647}
   (  segid "PROT" and resid 61   and name HD2%)
   (( segid "PROT" and resid 61   and name HG  ))
      2.400     0.700     0.700 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.54788E-02 ppm1      0.704 ppm2      1.416 CV     1
 OR { 1647}
   (  segid "PROT" and resid 61   and name HD2%)
   (( segid "PROT" and resid 61   and name HB2 ))
 ASSI { 1649}
   (  segid "PROT" and resid 61   and name HD2%)
   (  segid "PROT" and resid 64   and name HG2%)
      5.000     3.200     1.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.13025E-03 ppm1      0.712 ppm2      1.151 CV     1
 ASSI { 1652}
   (  segid "PROT" and resid 61   and name HD2%)
   (  segid "PROT" and resid 66   and name HD2%)
      2.300     2.300     3.700 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.10167E-01 ppm1      0.701 ppm2      0.594 CV     1
 ASSI { 1655}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 90   and name HA  ))
      4.300     2.300     1.700 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.26555E-03 ppm1      0.947 ppm2      3.888 CV     1
 ASSI { 1658}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 75   and name HA  ))
      4.000     2.000     2.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.14703E-03 ppm1      0.941 ppm2      3.605 CV     1
 ASSI { 1662}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 75   and name HG12))
      3.000     1.100     1.100 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.10687E-02 ppm1      0.921 ppm2      1.339 CV     1
 ASSI { 1663}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.58121E-02 ppm1      0.840 ppm2      4.245 CV     1
 ASSI { 1664}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 50   and name HA  ))
      4.000     2.000     2.000 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.25985E-03 ppm1      0.858 ppm2      3.974 CV     1
 ASSI { 1666}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 89   and name HA  ))
      2.800     1.000     1.000 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.19996E-02 ppm1      0.930 ppm2      3.431 CV     1
 ASSI { 1667}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 49   and name HB1 ))
      3.200     3.200     2.800 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.10186E-02 ppm1      0.842 ppm2      3.237 CV     1
 ASSI { 1670}
   (  segid "PROT" and resid 89   and name HG2%)
   (( segid "PROT" and resid 85   and name HB1 ))
      4.100     2.100     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.18483E-03 ppm1      0.489 ppm2      2.324 CV     1
 ASSI { 1671}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.76706E-03 ppm1      0.839 ppm2      2.224 CV     1
 ASSI { 1672}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 75   and name HG11))
      3.400     3.400     2.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.23514E-02 ppm1      0.925 ppm2      2.113 CV     1
 OR { 1672}
   (  segid "PROT" and resid 89   and name HG1%)
   (( segid "PROT" and resid 75   and name HB  ))
 ASSI { 1674}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.47172E-02 ppm1      0.846 ppm2      1.652 CV     1
 OR { 1674}
   (  segid "PROT" and resid 25   and name HD1%)
   (( segid "PROT" and resid 25   and name HB1 ))
 ASSI { 1675}
   (  segid "PROT" and resid 89   and name HG1%)
   (  segid "PROT" and resid 89   and name HG2%)
      2.800     1.000     1.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.21645E-02 ppm1      0.938 ppm2      0.494 CV     1
 ASSI { 1678}
   (  segid "PROT" and resid 89   and name HG2%)
   (( segid "PROT" and resid 85   and name HA  ))
      3.900     1.900     1.900 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.36428E-03 ppm1      0.481 ppm2      4.350 CV     1
 ASSI { 1680}
   (  segid "PROT" and resid 89   and name HG2%)
   (( segid "PROT" and resid 121  and name HA  ))
      5.100     3.200     0.900 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.13141E-03 ppm1      0.463 ppm2      3.752 CV     1
 ASSI { 1681}
   (  segid "PROT" and resid 78   and name HG2%)
   (( segid "PROT" and resid 75   and name HA  ))
      5.900     4.400     0.100 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.58771E-04 ppm1      0.412 ppm2      3.636 CV     1
 ASSI { 1682}
   (  segid "PROT" and resid 89   and name HG2%)
   (( segid "PROT" and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.45921E-02 ppm1      0.471 ppm2      3.431 CV     1
 ASSI { 1684}
   (  segid "PROT" and resid 78   and name HG2%)
   (( segid "PROT" and resid 13   and name HB2 ))
      3.400     1.500     1.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.56547E-03 ppm1      0.419 ppm2      3.021 CV     1
 ASSI { 1685}
   (  segid "PROT" and resid 54   and name HG2%)
   (( segid "PROT" and resid 17   and name HB2 ))
      3.000     3.000     3.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.22105E-02 ppm1      0.948 ppm2      2.563 CV     1
 OR { 1685}
   (  segid "PROT" and resid 54   and name HG1%)
   (( segid "PROT" and resid 17   and name HB2 ))
 OR { 1685}
   (  segid "PROT" and resid 54   and name HG2%)
   (( segid "PROT" and resid 17   and name HB1 ))
 OR { 1685}
   (  segid "PROT" and resid 54   and name HG1%)
   (( segid "PROT" and resid 17   and name HB1 ))
 ASSI { 1694}
   (  segid "PROT" and resid 89   and name HG2%)
   (  segid "PROT" and resid 121  and name HD2%)
      2.900     2.900     3.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.20723E-02 ppm1      0.500 ppm2      0.744 CV     1
 ASSI { 1698}
   (  segid "PROT" and resid 77   and name HG2%)
   (( segid "PROT" and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.35768E-03 ppm1      1.206 ppm2      3.504 CV     1
 ASSI { 1700}
   (  segid "PROT" and resid 14   and name HD1%)
   (( segid "PROT" and resid 58   and name HB  ))
      2.600     2.600     3.400 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.96201E-02 ppm1      1.154 ppm2      2.337 CV     1
 ASSI { 1706}
   (  segid "PROT" and resid 78   and name HG2%)
   (( segid "PROT" and resid 78   and name HB  ))
      2.400     0.700     0.700 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.49059E-02 ppm1      0.374 ppm2      1.327 CV     1
 ASSI { 1709}
   (  segid "PROT" and resid 68   and name HG2%)
   (( segid "PROT" and resid 94   and name HA  ))
      3.000     3.000     3.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.22711E-02 ppm1      0.735 ppm2      4.631 CV     1
 ASSI { 1717}
   (  segid "PROT" and resid 64   and name HG2%)
   (( segid "PROT" and resid 64   and name HB  ))
      2.300     0.700     0.700 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.65873E-02 ppm1      1.118 ppm2      4.588 CV     1
 ASSI { 1718}
   (  segid "PROT" and resid 5    and name HG2%)
   (( segid "PROT" and resid 5    and name HB  ))
      2.000     0.500     0.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.19235E-01 ppm1      1.250 ppm2      4.308 CV     1
 OR { 1718}
   (  segid "PROT" and resid 5    and name HG2%)
   (( segid "PROT" and resid 5    and name HA  ))
 ASSI { 1725}
   (  segid "PROT" and resid 7    and name HG1%)
   (( segid "PROT" and resid 7    and name HB  ))
      2.100     0.600     0.600 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.11860E-01 ppm1      1.041 ppm2      2.213 CV     1
 ASSI { 1732}
   (  segid "PROT" and resid 77   and name HG1%)
   (( segid "PROT" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.78310E-02 ppm1      1.078 ppm2      3.943 CV     1
 ASSI { 1734}
   (  segid "PROT" and resid 77   and name HG1%)
   (( segid "PROT" and resid 78   and name HA  ))
      2.900     2.900     3.100 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.23381E-02 ppm1      1.075 ppm2      3.322 CV     1
 ASSI { 1735}
   (  segid "PROT" and resid 77   and name HG1%)
   (( segid "PROT" and resid 9    and name HE1 ))
      3.800     1.800     1.800 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.46491E-03 ppm1      1.079 ppm2      3.015 CV     1
 OR { 1735}
   (  segid "PROT" and resid 77   and name HG1%)
   (( segid "PROT" and resid 9    and name HE2 ))
 ASSI { 1736}
   (  segid "PROT" and resid 77   and name HG1%)
   (( segid "PROT" and resid 77   and name HB  ))
      2.100     0.600     0.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.11978E-01 ppm1      1.080 ppm2      2.130 CV     1
 ASSI { 1737}
   (  segid "PROT" and resid 77   and name HG1%)
   (  segid "PROT" and resid 78   and name HG2%)
      3.500     3.500     2.500 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      1.077 ppm2      0.400 CV     1
 ASSI { 1744}
   (  segid "PROT" and resid 78   and name HG1%)
   (( segid "PROT" and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.21685E-03 ppm1     -0.285 ppm2      4.584 CV     1
 ASSI { 1747}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 113  and name HA  ))
      2.900     1.000     1.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.20446E-02 ppm1      1.537 ppm2      3.946 CV     1
 ASSI { 1748}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 109  and name HA  ))
      3.300     1.400     1.400 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.88879E-03 ppm1      1.532 ppm2      3.434 CV     1
 ASSI { 1749}
   (  segid "PROT" and resid 78   and name HG1%)
   (( segid "PROT" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.30169E-02 ppm1     -0.274 ppm2      3.309 CV     1
 ASSI { 1751}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 113  and name HB2 ))
      2.900     1.000     1.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.26476E-02 ppm1      1.534 ppm2      2.835 CV     1
 OR { 1751}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 113  and name HB1 ))
 ASSI { 1752}
   (  segid "PROT" and resid 78   and name HG1%)
   (( segid "PROT" and resid 9    and name HB1 ))
      2.900     1.100     1.100 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1     -0.270 ppm2      2.012 CV     1
 ASSI { 1753}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 112  and name HB1 ))
      3.300     1.300     1.300 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.13423E-02 ppm1      1.533 ppm2      1.903 CV     1
 ASSI { 1755}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.23237E-02 ppm1      1.534 ppm2      1.729 CV     1
 OR { 1755}
   (  segid "PROT" and resid 100  and name HB% )
   (( segid "PROT" and resid 112  and name HD2 ))
 ASSI { 1756}
   (  segid "PROT" and resid 78   and name HG1%)
   (( segid "PROT" and resid 9    and name HG2 ))
      4.500     2.600     1.500 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.30516E-03 ppm1     -0.282 ppm2      1.566 CV     1
 ASSI { 1757}
   (  segid "PROT" and resid 78   and name HG1%)
   (( segid "PROT" and resid 78   and name HB  ))
      2.500     0.800     0.800 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.35978E-02 ppm1     -0.271 ppm2      1.331 CV     1
 ASSI { 1758}
   (  segid "PROT" and resid 78   and name HG1%)
   (  segid "PROT" and resid 6    and name HG2%)
      3.100     3.100     2.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.19206E-02 ppm1     -0.279 ppm2      1.174 CV     1
 ASSI { 1760}
   (  segid "PROT" and resid 100  and name HB% )
   (  segid "PROT" and resid 66   and name HD1%)
      2.600     2.600     3.400 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.39895E-02 ppm1      1.538 ppm2      0.765 CV     1
 ASSI { 1761}
   (  segid "PROT" and resid 100  and name HB% )
   (  segid "PROT" and resid 66   and name HD2%)
      3.700     1.700     1.700 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.51166E-03 ppm1      1.532 ppm2      0.573 CV     1
 ASSI { 1762}
   (  segid "PROT" and resid 78   and name HG1%)
   (  segid "PROT" and resid 78   and name HG2%)
      2.800     1.000     1.000 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.24916E-02 ppm1     -0.251 ppm2      0.407 CV     1
 ASSI { 1763}
   (  segid "PROT" and resid 68   and name HG1%)
   (( segid "PROT" and resid 67   and name HA  ))
      4.200     2.200     1.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.28479E-03 ppm1      0.579 ppm2      4.578 CV     1
 ASSI { 1765}
   (  segid "PROT" and resid 68   and name HG1%)
   (( segid "PROT" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.28273E-02 ppm1      0.575 ppm2      3.885 CV     1
 ASSI { 1766}
   (  segid "PROT" and resid 68   and name HG1%)
   (( segid "PROT" and resid 67   and name HB1 ))
      4.500     2.500     1.500 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.31717E-03 ppm1      0.572 ppm2      3.177 CV     1
 ASSI { 1771}
   (  segid "PROT" and resid 42   and name HB% )
   (( segid "PROT" and resid 47   and name HG  ))
      4.500     2.500     1.500 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.20497E-03 ppm1      1.371 ppm2      1.754 CV     1
 ASSI { 1772}
   (  segid "PROT" and resid 68   and name HG1%)
   (( segid "PROT" and resid 68   and name HB  ))
      2.400     0.700     0.700 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.58814E-02 ppm1      0.573 ppm2      1.753 CV     1
 ASSI { 1774}
   (  segid "PROT" and resid 68   and name HG1%)
   (  segid "PROT" and resid 68   and name HG2%)
      2.500     0.800     0.800 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.58060E-02 ppm1      0.576 ppm2      0.726 CV     1
 ASSI { 1778}
   (  segid "PROT" and resid 32   and name HB% )
   (( segid "PROT" and resid 29   and name HB1 ))
      3.500     1.500     1.500 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.10367E-02 ppm1      1.287 ppm2      2.041 CV     1
 ASSI { 1781}
   (  segid "PROT" and resid 80   and name HB% )
   (( segid "PROT" and resid 80   and name HA  ))
      2.300     0.600     0.600 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.83726E-02 ppm1      1.522 ppm2      3.993 CV     1
 ASSI { 1785}
   (  segid "PROT" and resid 93   and name HB% )
   (( segid "PROT" and resid 75   and name HG11))
      5.000     3.100     1.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.13442E-03 ppm1      1.743 ppm2      2.119 CV     1
 ASSI { 1788}
   (  segid "PROT" and resid 93   and name HB% )
   (  segid "PROT" and resid 71   and name HG2%)
      2.700     2.700     3.300 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.36116E-02 ppm1      1.743 ppm2      1.290 CV     1
 ASSI { 1789}
   (  segid "PROT" and resid 93   and name HB% )
   (  segid "PROT" and resid 75   and name HD1%)
      2.600     2.600     3.400 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.35623E-02 ppm1      1.751 ppm2      1.029 CV     1
 ASSI { 1798}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 75   and name HA  ))
      2.800     1.000     1.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.18999E-02 ppm1      1.001 ppm2      3.630 CV     1
 ASSI { 1801}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 79   and name HB1 ))
      4.000     2.000     2.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.59595E-03 ppm1      1.000 ppm2      3.025 CV     1
 ASSI { 1802}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 75   and name HB  ))
      2.400     0.700     0.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.45429E-02 ppm1      1.001 ppm2      2.110 CV     1
 OR { 1802}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 75   and name HG11))
 ASSI { 1804}
   (  segid "PROT" and resid 86   and name HG2%)
   (( segid "PROT" and resid 86   and name HB  ))
      2.700     0.900     0.900 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.24395E-02 ppm1      1.001 ppm2      1.827 CV     1
 ASSI { 1805}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 89   and name HB  ))
      2.800     1.000     1.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      1.000 ppm2      1.739 CV     1
 ASSI { 1806}
   (  segid "PROT" and resid 75   and name HG2%)
   (( segid "PROT" and resid 75   and name HG12))
      2.800     1.000     1.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.15993E-02 ppm1      1.004 ppm2      1.350 CV     1
 ASSI { 1810}
   (  segid "PROT" and resid 75   and name HG2%)
   (  segid "PROT" and resid 89   and name HG2%)
      3.300     1.300     1.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.11598E-02 ppm1      1.001 ppm2      0.490 CV     1
 ASSI { 1811}
   (  segid "PROT" and resid 83   and name HB% )
   (( segid "PROT" and resid 84   and name HA  ))
      4.300     2.300     1.700 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.24064E-03 ppm1      1.454 ppm2      4.420 CV     1
 ASSI { 1812}
   (  segid "PROT" and resid 52   and name HB% )
   (( segid "PROT" and resid 52   and name HA  ))
      2.200     0.600     0.600 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.80267E-02 ppm1      1.422 ppm2      4.124 CV     1
 ASSI { 1823}
   (  segid "PROT" and resid 18   and name HG2%)
   (( segid "PROT" and resid 19   and name HA  ))
      3.400     1.500     1.500 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.73645E-03 ppm1      0.827 ppm2      4.496 CV     1
 ASSI { 1824}
   (  segid "PROT" and resid 8    and name HB% )
   (( segid "PROT" and resid 5    and name HA  ))
      2.900     2.900     3.100 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.24707E-02 ppm1      1.568 ppm2      4.292 CV     1
 ASSI { 1828}
   (  segid "PROT" and resid 118  and name HG2%)
   (( segid "PROT" and resid 122  and name HB1 ))
      4.200     2.200     1.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.45594E-03 ppm1      0.971 ppm2      2.955 CV     1
 ASSI { 1829}
   (  segid "PROT" and resid 109  and name HG2%)
   (( segid "PROT" and resid 113  and name HB2 ))
      3.500     1.500     1.500 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.66804E-03 ppm1      0.830 ppm2      2.820 CV     1
 OR { 1829}
   (  segid "PROT" and resid 109  and name HG2%)
   (( segid "PROT" and resid 113  and name HB1 ))
 ASSI { 1830}
   (  segid "PROT" and resid 109  and name HG2%)
   (( segid "PROT" and resid 103  and name HG2 ))
      3.300     3.300     2.700 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.23972E-02 ppm1      0.815 ppm2      2.162 CV     1
 OR { 1830}
   (  segid "PROT" and resid 109  and name HG2%)
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI { 1835}
   (  segid "PROT" and resid 8    and name HB% )
   (( segid "PROT" and resid 8    and name HA  ))
      2.100     0.600     0.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.13758E-01 ppm1      1.569 ppm2      4.168 CV     1
 ASSI { 1840}
   (  segid "PROT" and resid 118  and name HG2%)
   (( segid "PROT" and resid 119  and name HA  ))
      3.000     3.000     3.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.18040E-02 ppm1      0.955 ppm2      4.018 CV     1
 ASSI { 1845}
   (  segid "PROT" and resid 118  and name HG2%)
   (( segid "PROT" and resid 118  and name HA  ))
      2.600     0.900     0.900 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.35189E-02 ppm1      0.976 ppm2      3.684 CV     1
 ASSI { 1848}
   (  segid "PROT" and resid 18   and name HG2%)
   (( segid "PROT" and resid 18   and name HG11))
      2.700     0.900     0.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.68504E-02 ppm1      0.814 ppm2      1.818 CV     1
 ASSI { 1849}
   (  segid "PROT" and resid 92   and name HG2%)
   (( segid "PROT" and resid 120  and name HB2 ))
      2.200     2.200     3.800 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.56112E-02 ppm1      0.449 ppm2      1.581 CV     1
 OR { 1849}
   (  segid "PROT" and resid 92   and name HG2%)
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI { 1852}
   (  segid "PROT" and resid 27   and name HG2%)
   (( segid "PROT" and resid 27   and name HA  ))
      2.400     0.700     0.700 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.58838E-02 ppm1      0.985 ppm2      4.309 CV     1
 ASSI { 1854}
   (  segid "PROT" and resid 55   and name HE% )
   (( segid "PROT" and resid 110  and name HA1 ))
      3.300     1.300     1.300 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      1.860 ppm2      3.878 CV     1
 OR { 1854}
   (  segid "PROT" and resid 55   and name HE% )
   (( segid "PROT" and resid 110  and name HA2 ))
 ASSI { 1856}
   (  segid "PROT" and resid 55   and name HE% )
   (( segid "PROT" and resid 113  and name HB1 ))
      2.600     0.800     0.800 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.42882E-02 ppm1      1.862 ppm2      2.837 CV     1
 OR { 1856}
   (  segid "PROT" and resid 55   and name HE% )
   (( segid "PROT" and resid 113  and name HB2 ))
 ASSI { 1857}
   (  segid "PROT" and resid 60   and name HE% )
   (( segid "PROT" and resid 70   and name HG1 ))
      3.700     3.700     2.300 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.99461E-03 ppm1      1.227 ppm2      1.912 CV     1
 ASSI { 1858}
   (  segid "PROT" and resid 92   and name HG2%)
   (( segid "PROT" and resid 120  and name HB1 ))
      3.200     1.300     1.300 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.27919E-02 ppm1      0.422 ppm2      1.774 CV     1
 ASSI { 1859}
   (  segid "PROT" and resid 55   and name HE% )
   (  segid "PROT" and resid 60   and name HE% )
      2.900     2.900     3.100 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.20189E-02 ppm1      1.857 ppm2      1.217 CV     1
 ASSI { 1862}
   (  segid "PROT" and resid 97   and name HG2%)
   (( segid "PROT" and resid 98   and name HA  ))
      2.800     2.800     3.200 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.23614E-02 ppm1      0.947 ppm2      4.051 CV     1
 ASSI { 1863}
   (  segid "PROT" and resid 60   and name HE% )
   (( segid "PROT" and resid 68   and name HA  ))
      4.200     2.200     1.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.26785E-03 ppm1      1.229 ppm2      3.903 CV     1
 ASSI { 1865}
   (  segid "PROT" and resid 1    and name HG2%)
   (( segid "PROT" and resid 1    and name HA  ))
      2.900     1.000     1.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      0.965 ppm2      3.744 CV     1
 ASSI { 1868}
   (  segid "PROT" and resid 60   and name HE% )
   (( segid "PROT" and resid 60   and name HG2 ))
      3.000     1.100     1.100 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      1.208 ppm2      2.394 CV     1
 OR { 1868}
   (  segid "PROT" and resid 60   and name HE% )
   (( segid "PROT" and resid 60   and name HG1 ))
 ASSI { 1880}
   (  segid "PROT" and resid 22   and name HB% )
   (( segid "PROT" and resid 28   and name HA  ))
      5.000     3.100     1.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.13095E-03 ppm1      1.455 ppm2      4.268 CV     1
 ASSI { 1885}
   (  segid "PROT" and resid 22   and name HB% )
   (  segid "PROT" and resid 50   and name HD1%)
      2.400     2.400     3.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.99461E-02 ppm1      1.451 ppm2      0.924 CV     1
 ASSI { 1886}
   (  segid "PROT" and resid 22   and name HB% )
   (  segid "PROT" and resid 18   and name HG2%)
      2.500     2.500     3.500 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.49305E-02 ppm1      1.455 ppm2      0.835 CV     1
 ASSI { 1887}
   (  segid "PROT" and resid 58   and name HG2%)
   (( segid "PROT" and resid 58   and name HA  ))
      2.500     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.45654E-02 ppm1      0.963 ppm2      4.560 CV     1
 ASSI { 1892}
   (  segid "PROT" and resid 58   and name HG2%)
   (( segid "PROT" and resid 17   and name HB2 ))
      2.800     2.800     3.200 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.11364E-02 ppm1      0.962 ppm2      2.564 CV     1
 OR { 1892}
   (  segid "PROT" and resid 58   and name HG2%)
   (( segid "PROT" and resid 17   and name HB1 ))
 ASSI { 1893}
   (  segid "PROT" and resid 75   and name HD1%)
   (( segid "PROT" and resid 75   and name HG11))
      2.200     0.600     0.600 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.62970E-02 ppm1      1.027 ppm2      2.118 CV     1
 ASSI { 1895}
   (  segid "PROT" and resid 75   and name HD1%)
   (( segid "PROT" and resid 75   and name HG12))
      2.900     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      1.033 ppm2      1.346 CV     1
 ASSI { 1896}
   (  segid "PROT" and resid 19   and name HE% )
   (( segid "PROT" and resid 19   and name HA  ))
      3.500     3.500     2.500 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      2.026 ppm2      4.499 CV     1
 ASSI { 1898}
   (  segid "PROT" and resid 15   and name HE% )
   (( segid "PROT" and resid 15   and name HG1 ))
      4.000     2.000     2.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.36100E-03 ppm1      2.059 ppm2      2.861 CV     1
 ASSI { 1911}
   (  segid "PROT" and resid 18   and name HD1%)
   (( segid "PROT" and resid 15   and name HA  ))
      2.800     2.800     3.200 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.24304E-02 ppm1      0.947 ppm2      4.584 CV     1
 ASSI { 1912}
   (  segid "PROT" and resid 18   and name HD1%)
   (( segid "PROT" and resid 11   and name HA  ))
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.21020E-03 ppm1      0.940 ppm2      4.342 CV     1
 ASSI { 1913}
   (  segid "PROT" and resid 18   and name HD1%)
   (( segid "PROT" and resid 18   and name HA  ))
      4.100     2.100     1.900 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.67561E-03 ppm1      0.926 ppm2      3.484 CV     1
 ASSI { 1914}
   (  segid "PROT" and resid 27   and name HD1%)
   (( segid "PROT" and resid 46   and name HG2 ))
      3.800     1.800     1.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.47194E-03 ppm1      0.819 ppm2      2.319 CV     1
 ASSI { 1915}
   (  segid "PROT" and resid 18   and name HD1%)
   (( segid "PROT" and resid 14   and name HB2 ))
      2.700     2.700     3.300 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.29403E-02 ppm1      0.930 ppm2      2.044 CV     1
 ASSI { 1918}
   (  segid "PROT" and resid 27   and name HD1%)
   (( segid "PROT" and resid 27   and name HA  ))
      3.600     1.600     1.600 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.14178E-02 ppm1      0.819 ppm2      4.302 CV     1
 ASSI { 1919}
   (  segid "PROT" and resid 27   and name HD1%)
   (( segid "PROT" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.60894E-03 ppm1      0.820 ppm2      3.836 CV     1
 ASSI { 1920}
   (  segid "PROT" and resid 27   and name HD1%)
   (( segid "PROT" and resid 27   and name HG11))
      2.700     0.900     0.900 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.26543E-02 ppm1      0.821 ppm2      1.538 CV     1
 OR { 1920}
   (  segid "PROT" and resid 27   and name HD1%)
   (( segid "PROT" and resid 27   and name HB  ))
 ASSI { 1922}
   (  segid "PROT" and resid 86   and name HD1%)
   (( segid "PROT" and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.72984E-03 ppm1      0.861 ppm2      3.761 CV     1
 ASSI { 1924}
   (  segid "PROT" and resid 86   and name HD1%)
   (( segid "PROT" and resid 86   and name HA  ))
      5.300     3.500     0.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.20024E-03 ppm1      0.863 ppm2      3.176 CV     1
 ASSI { 1925}
   (  segid "PROT" and resid 86   and name HD1%)
   (( segid "PROT" and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.19652E-03 ppm1      0.862 ppm2      3.035 CV     1
 ASSI { 1927}
   (  segid "PROT" and resid 86   and name HD1%)
   (( segid "PROT" and resid 86   and name HB  ))
      2.600     0.900     0.900 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.34021E-02 ppm1      0.867 ppm2      1.806 CV     1
 ASSI { 1931}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 104  and name HA  ))
      3.400     1.400     1.400 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.68460E-03 ppm1      0.762 ppm2      4.442 CV     1
 ASSI { 1932}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.13943E-02 ppm1      0.761 ppm2      4.251 CV     1
 ASSI { 1933}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 120  and name HA  ))
      4.200     2.200     1.800 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.68973E-03 ppm1      0.507 ppm2      4.012 CV     1
 ASSI { 1934}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 106  and name HA  ))
      2.600     2.600     3.400 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      0.752 ppm2      3.891 CV     1
 ASSI { 1936}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 89   and name HA  ))
      2.800     2.800     3.200 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.35847E-02 ppm1      0.505 ppm2      3.447 CV     1
 ASSI { 1937}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 109  and name HA  ))
      4.800     2.900     1.200 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.38371E-03 ppm1      0.749 ppm2      3.437 CV     1
 ASSI { 1938}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 103  and name HG2 ))
      2.900     2.900     3.100 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.97658E-03 ppm1      0.757 ppm2      2.182 CV     1
 OR { 1938}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI { 1939}
   (  segid "PROT" and resid 109  and name HD1%)
   (( segid "PROT" and resid 103  and name HB1 ))
      3.100     3.100     2.900 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.58512E-03 ppm1      0.748 ppm2      2.069 CV     1
 ASSI { 1942}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 92   and name HG11))
      2.300     0.600     0.600 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.67401E-02 ppm1      0.506 ppm2      1.711 CV     1
 ASSI { 1943}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 120  and name HB2 ))
      2.700     0.900     0.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.34965E-02 ppm1      0.507 ppm2      1.581 CV     1
 OR { 1943}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 120  and name HG2 ))
 ASSI { 1944}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 88   and name HG  ))
      2.900     2.900     3.100 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.18922E-02 ppm1      0.519 ppm2      1.473 CV     1
 ASSI { 1945}
   (  segid "PROT" and resid 109  and name HD1%)
   (  segid "PROT" and resid 64   and name HG2%)
      3.000     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      0.754 ppm2      1.123 CV     1
 ASSI { 1946}
   (  segid "PROT" and resid 92   and name HD1%)
   (( segid "PROT" and resid 92   and name HG12))
      2.200     0.600     0.600 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.77733E-02 ppm1      0.528 ppm2      0.835 CV     1
 ASSI { 1957}
   (  segid "PROT" and resid 97   and name HD1%)
   (( segid "PROT" and resid 97   and name HA  ))
      3.000     1.100     1.100 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.27278E-02 ppm1      0.734 ppm2      3.895 CV     1
 ASSI { 1962}
   (  segid "PROT" and resid 31   and name HD1%)
   (( segid "PROT" and resid 31   and name HG11))
      2.800     1.000     1.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.23274E-02 ppm1      0.874 ppm2      1.509 CV     1
 ASSI { 1965}
   (  segid "PROT" and resid 97   and name HD1%)
   (( segid "PROT" and resid 66   and name HB2 ))
      3.100     3.100     2.900 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      0.736 ppm2      1.570 CV     1
 ASSI { 1966}
   (  segid "PROT" and resid 118  and name HD1%)
   (( segid "PROT" and resid 118  and name HG11))
      4.400     2.400     1.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.15469E-03 ppm1      0.812 ppm2      1.618 CV     1
 ASSI { 1968}
   (  segid "PROT" and resid 27   and name HG2%)
   (( segid "PROT" and resid 27   and name HB  ))
      2.900     1.000     1.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.20783E-02 ppm1      0.996 ppm2      1.538 CV     1
 OR { 1968}
   (  segid "PROT" and resid 27   and name HG2%)
   (( segid "PROT" and resid 27   and name HG11))
 ASSI { 1969}
   (  segid "PROT" and resid 118  and name HG2%)
   (( segid "PROT" and resid 118  and name HB  ))
      2.400     0.700     0.700 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.54459E-02 ppm1      0.954 ppm2      2.037 CV     1
 ASSI { 1972}
   (  segid "PROT" and resid 118  and name HD1%)
   (( segid "PROT" and resid 118  and name HA  ))
      5.500     3.800     0.500 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.60161E-04 ppm1      0.781 ppm2      3.674 CV     1
 ASSI { 1975}
   (( segid "PROT" and resid 25   and name HA  ))
   (( segid "PROT" and resid 24   and name HB1 ))
      5.500     3.800     0.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.60684E-04 ppm1      4.244 ppm2      2.220 CV     1
 ASSI { 1976}
   (( segid "PROT" and resid 61   and name HB1 ))
   (( segid "PROT" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.31341E-02 ppm1      0.951 ppm2      5.236 CV     1
 ASSI { 1977}
   (( segid "PROT" and resid 61   and name HB2 ))
   (( segid "PROT" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.16262E-02 ppm1      1.420 ppm2      5.232 CV     1
 ASSI { 1978}
   (( segid "PROT" and resid 66   and name HB1 ))
   (( segid "PROT" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      0.941 ppm2      5.265 CV     1
 ASSI { 1979}
   (( segid "PROT" and resid 66   and name HB2 ))
   (( segid "PROT" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.21377E-02 ppm1      1.578 ppm2      5.263 CV     1
 ASSI { 1980}
   (( segid "PROT" and resid 17   and name HB1 ))
   (( segid "PROT" and resid 17   and name HA  ))
      2.600     0.900     0.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.32617E-02 ppm1      2.548 ppm2      4.864 CV     1
 OR { 1980}
   (( segid "PROT" and resid 17   and name HB2 ))
   (( segid "PROT" and resid 17   and name HA  ))
 ASSI { 1982}
   (( segid "PROT" and resid 57   and name HD1 ))
   (( segid "PROT" and resid 17   and name HA  ))
      3.600     1.600     1.600 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.79799E-03 ppm1      3.602 ppm2      4.867 CV     1
 ASSI { 1983}
   (( segid "PROT" and resid 105  and name HB1 ))
   (( segid "PROT" and resid 105  and name HA  ))
      2.800     1.000     1.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.36371E-02 ppm1      2.608 ppm2      4.858 CV     1
 ASSI { 1984}
   (( segid "PROT" and resid 105  and name HB2 ))
   (( segid "PROT" and resid 105  and name HA  ))
      2.700     0.900     0.900 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.23646E-02 ppm1      2.939 ppm2      4.856 CV     1
 ASSI { 1986}
   (( segid "PROT" and resid 2    and name HB2 ))
   (( segid "PROT" and resid 2    and name HA  ))
      3.100     1.200     1.200 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.18998E-02 ppm1      2.917 ppm2      4.871 CV     1
 ASSI { 1989}
   (( segid "PROT" and resid 67   and name HB2 ))
   (( segid "PROT" and resid 66   and name HA  ))
      6.000     4.600     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.67895E-04 ppm1      2.804 ppm2      5.242 CV     1
 ASSI { 1994}
   (( segid "PROT" and resid 40   and name HB2 ))
   (( segid "PROT" and resid 122  and name HA  ))
      3.200     3.200     2.800 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.54517E-03 ppm1      2.761 ppm2      4.911 CV     1
 ASSI { 1995}
   (( segid "PROT" and resid 108  and name HB1 ))
   (( segid "PROT" and resid 105  and name HA  ))
      5.100     3.200     0.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.28985E-03 ppm1      3.056 ppm2      4.861 CV     1
 ASSI { 1996}
   (( segid "PROT" and resid 60   and name HB2 ))
   (( segid "PROT" and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.15435E-02 ppm1      1.688 ppm2      4.829 CV     1
 ASSI { 1997}
   (( segid "PROT" and resid 60   and name HB1 ))
   (( segid "PROT" and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.26648E-02 ppm1      2.229 ppm2      4.830 CV     1
 ASSI { 1998}
   (( segid "PROT" and resid 55   and name HB2 ))
   (( segid "PROT" and resid 61   and name HA  ))
      5.200     3.400     0.800 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      1.952 ppm2      5.239 CV     1
 ASSI { 2001}
   (( segid "PROT" and resid 70   and name HB2 ))
   (( segid "PROT" and resid 60   and name HA  ))
      5.200     3.400     0.800 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.12104E-03 ppm1      1.516 ppm2      4.842 CV     1
 ASSI { 2004}
   (( segid "PROT" and resid 60   and name HG1 ))
   (( segid "PROT" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.15819E-02 ppm1      2.413 ppm2      4.831 CV     1
 OR { 2004}
   (( segid "PROT" and resid 60   and name HG2 ))
   (( segid "PROT" and resid 60   and name HA  ))
 ASSI { 2008}
   (( segid "PROT" and resid 70   and name HG2 ))
   (( segid "PROT" and resid 60   and name HA  ))
      2.800     0.900     0.900 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.23451E-02 ppm1      1.790 ppm2      4.829 CV     1
 ASSI { 2009}
   (( segid "PROT" and resid 20   and name HG2 ))
   (( segid "PROT" and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.32836E-02 ppm1      2.135 ppm2      4.861 CV     1
 OR { 2009}
   (( segid "PROT" and resid 20   and name HG1 ))
   (( segid "PROT" and resid 17   and name HA  ))
 ASSI { 2010}
   (( segid "PROT" and resid 3    and name HB1 ))
   (( segid "PROT" and resid 2    and name HA  ))
      5.900     4.400     0.100 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.13375E-03 ppm1      1.871 ppm2      4.853 CV     1
 OR { 2010}
   (( segid "PROT" and resid 3    and name HB2 ))
   (( segid "PROT" and resid 2    and name HA  ))
 ASSI { 2011}
   (( segid "PROT" and resid 61   and name HG  ))
   (( segid "PROT" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.407 ppm2      5.242 CV     1
 ASSI { 2012}
   (( segid "PROT" and resid 66   and name HG  ))
   (( segid "PROT" and resid 66   and name HA  ))
      2.800     0.900     0.900 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.27364E-02 ppm1      1.446 ppm2      5.257 CV     1
 ASSI { 2013}
   (  segid "PROT" and resid 66   and name HD1%)
   (( segid "PROT" and resid 66   and name HA  ))
      3.800     1.800     1.800 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.61514E-03 ppm1      0.767 ppm2      5.256 CV     1
 ASSI { 2014}
   (  segid "PROT" and resid 61   and name HD1%)
   (( segid "PROT" and resid 61   and name HA  ))
      3.700     1.700     1.700 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.41319E-03 ppm1      0.851 ppm2      5.231 CV     1
 ASSI { 2015}
   (  segid "PROT" and resid 66   and name HD2%)
   (( segid "PROT" and resid 66   and name HA  ))
      2.400     0.700     0.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.60334E-02 ppm1      0.576 ppm2      5.253 CV     1
 ASSI { 2016}
   (  segid "PROT" and resid 61   and name HD2%)
   (( segid "PROT" and resid 61   and name HA  ))
      2.600     0.800     0.800 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.79523E-02 ppm1      0.703 ppm2      5.237 CV     1
 ASSI { 2018}
   (  segid "PROT" and resid 52   and name HB% )
   (( segid "PROT" and resid 49   and name HA  ))
      2.900     1.000     1.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.17242E-02 ppm1      1.423 ppm2      4.717 CV     1
 ASSI { 2019}
   (  segid "PROT" and resid 83   and name HB% )
   (( segid "PROT" and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.14633E-03 ppm1      1.452 ppm2      5.014 CV     1
 ASSI { 2020}
   (  segid "PROT" and resid 60   and name HE% )
   (( segid "PROT" and resid 66   and name HA  ))
      5.100     3.300     0.900 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.84657E-04 ppm1      1.236 ppm2      5.253 CV     1
 ASSI { 2021}
   (( segid "PROT" and resid 5    and name HB  ))
   (  segid "PROT" and resid 5    and name HG2%)
      2.700     0.900     0.900 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.32123E-02 ppm1      4.270 ppm2      1.266 CV     1
 ASSI { 2022}
   (( segid "PROT" and resid 9    and name HA  ))
   (( segid "PROT" and resid 12   and name HG1 ))
      6.000     6.000     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.14273E-04 ppm1      4.212 ppm2      2.425 CV     1
 ASSI { 2024}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 61   and name HB1 ))
      5.900     4.400     0.100 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.39881E-04 ppm1      1.792 ppm2      0.941 CV     1
 ASSI { 2025}
   (( segid "PROT" and resid 56   and name HG1 ))
   (  segid "PROT" and resid 61   and name HD2%)
      5.300     3.500     0.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.10775E-03 ppm1      1.789 ppm2      0.715 CV     1
 ASSI { 2028}
   (  segid "PROT" and resid 92   and name HG2%)
   (( segid "PROT" and resid 120  and name HA  ))
      5.400     3.700     0.600 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.21489E-03 ppm1      0.419 ppm2      4.024 CV     1
 ASSI { 2030}
   (( segid "PROT" and resid 77   and name HB  ))
   (( segid "PROT" and resid 74   and name HA  ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.11762E-02 ppm1      2.121 ppm2      3.490 CV     1
 ASSI { 2031}
   (( segid "PROT" and resid 95   and name HB1 ))
   (( segid "PROT" and resid 92   and name HA  ))
      3.900     1.900     1.900 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.64186E-03 ppm1      1.976 ppm2      3.529 CV     1
 ASSI { 2033}
   (( segid "PROT" and resid 90   and name HD1 ))
   (( segid "PROT" and resid 90   and name HE1 ))
      3.700     1.700     1.700 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.50777E-03 ppm1      1.216 ppm2      2.233 CV     1
 ASSI { 2035}
   (( segid "PROT" and resid 79   and name HB1 ))
   (( segid "PROT" and resid 85   and name HB2 ))
      4.700     2.800     1.300 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.16796E-03 ppm1      3.007 ppm2      2.886 CV     1
 ASSI { 2037}
   (( segid "PROT" and resid 56   and name HG1 ))
   (( segid "PROT" and resid 53   and name HA  ))
      4.400     2.400     1.600 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.10038E-03 ppm1      1.763 ppm2      4.177 CV     1
 ASSI { 2043}
   (( segid "PROT" and resid 114  and name HA  ))
   (( segid "PROT" and resid 117  and name HB2 ))
      4.200     2.200     1.800 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.15507E-03 ppm1      3.717 ppm2      2.339 CV     1
 ASSI { 2044}
   (( segid "PROT" and resid 99   and name HB1 ))
   (( segid "PROT" and resid 96   and name HA  ))
      2.900     1.000     1.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.22453E-02 ppm1      2.848 ppm2      4.682 CV     1
 OR { 2044}
   (( segid "PROT" and resid 99   and name HB2 ))
   (( segid "PROT" and resid 96   and name HA  ))
 ASSI { 2049}
   (( segid "PROT" and resid 67   and name HB2 ))
   (( segid "PROT" and resid 70   and name HG2 ))
      5.100     3.300     0.900 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.60177E-04 ppm1      2.816 ppm2      1.800 CV     1
 ASSI { 2050}
   (( segid "PROT" and resid 106  and name HG2 ))
   (( segid "PROT" and resid 106  and name HA  ))
      3.100     1.200     1.200 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.23836E-02 ppm1      2.216 ppm2      3.891 CV     1
 ASSI { 2051}
   (( segid "PROT" and resid 106  and name HG1 ))
   (( segid "PROT" and resid 106  and name HA  ))
      3.300     1.300     1.300 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.90907E-03 ppm1      2.357 ppm2      3.899 CV     1
 ASSI { 2055}
   (( segid "PROT" and resid 76   and name HA  ))
   (  segid "PROT" and resid 86   and name HG2%)
      3.300     1.300     1.300 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.86633E-03 ppm1      3.770 ppm2      1.001 CV     1
 ASSI { 2057}
   (( segid "PROT" and resid 109  and name HA  ))
   (( segid "PROT" and resid 103  and name HG2 ))
      3.500     1.600     1.600 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.76276E-03 ppm1      3.433 ppm2      2.167 CV     1
 OR { 2057}
   (( segid "PROT" and resid 109  and name HA  ))
   (( segid "PROT" and resid 103  and name HG1 ))
 ASSI { 2062}
   (  segid "PROT" and resid 18   and name HD1%)
   (( segid "PROT" and resid 14   and name HB1 ))
      3.600     1.600     1.600 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.88064E-03 ppm1      0.936 ppm2      1.617 CV     1
 ASSI { 2064}
   (( segid "PROT" and resid 3    and name HG1 ))
   (( segid "PROT" and resid 2    and name HA  ))
      5.400     3.700     0.600 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.16143E-03 ppm1      1.950 ppm2      4.871 CV     1
 OR { 2064}
   (( segid "PROT" and resid 3    and name HG2 ))
   (( segid "PROT" and resid 2    and name HA  ))
 ASSI { 2065}
   (( segid "PROT" and resid 36   and name HB1 ))
   (( segid "PROT" and resid 36   and name HA  ))
      2.300     0.700     0.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.72419E-02 ppm1      2.199 ppm2      3.941 CV     1
 ASSI { 2066}
   (( segid "PROT" and resid 67   and name HB2 ))
   (( segid "PROT" and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.27815E-02 ppm1      2.802 ppm2      4.833 CV     1
 ASSI { 2071}
   (( segid "PROT" and resid 47   and name HB1 ))
   (( segid "PROT" and resid 29   and name HG1 ))
      3.400     1.500     1.500 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      1.950 ppm2      2.227 CV     1
 ASSI { 2072}
   (( segid "PROT" and resid 47   and name HB2 ))
   (  segid "PROT" and resid 42   and name HB% )
      4.600     2.600     1.400 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.14282E-03 ppm1      1.606 ppm2      1.395 CV     1
 ASSI { 2073}
   (( segid "PROT" and resid 47   and name HB1 ))
   (  segid "PROT" and resid 42   and name HB% )
      4.700     2.700     1.300 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.18568E-03 ppm1      1.947 ppm2      1.390 CV     1
 ASSI { 2074}
   (( segid "PROT" and resid 25   and name HB1 ))
   (( segid "PROT" and resid 50   and name HA  ))
      4.700     2.800     1.300 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.17247E-03 ppm1      1.622 ppm2      3.979 CV     1
 OR { 2074}
   (( segid "PROT" and resid 25   and name HB2 ))
   (( segid "PROT" and resid 50   and name HA  ))
 ASSI { 2081}
   (( segid "PROT" and resid 107  and name HA  ))
   (( segid "PROT" and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      4.215 ppm2      4.711 CV     1
 ASSI { 2083}
   (( segid "PROT" and resid 54   and name HB  ))
   (( segid "PROT" and resid 54   and name HA  ))
      4.800     2.800     1.200 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.10682E-03 ppm1      2.296 ppm2      3.395 CV     1
 ASSI { 2086}
   (( segid "PROT" and resid 59   and name HG2 ))
   (( segid "PROT" and resid 62   and name HE1 ))
      4.200     2.200     1.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.10823E-03 ppm1      2.083 ppm2      2.690 CV     1
 OR { 2086}
   (( segid "PROT" and resid 59   and name HG1 ))
   (( segid "PROT" and resid 62   and name HE1 ))
 OR { 2086}
   (( segid "PROT" and resid 59   and name HG2 ))
   (( segid "PROT" and resid 62   and name HE2 ))
 OR { 2086}
   (( segid "PROT" and resid 59   and name HG1 ))
   (( segid "PROT" and resid 62   and name HE2 ))
 ASSI { 2087}
   (  segid "PROT" and resid 121  and name HD1%)
   (( segid "PROT" and resid 121  and name HA  ))
      3.400     1.500     1.500 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.70462E-03 ppm1      0.696 ppm2      3.766 CV     1
 ASSI { 2089}
   (( segid "PROT" and resid 47   and name HA  ))
   (( segid "PROT" and resid 49   and name HA  ))
      4.400     2.400     1.600 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1      4.216 ppm2      4.716 CV     1
 ASSI { 2091}
   (( segid "PROT" and resid 84   and name HB1 ))
   (( segid "PROT" and resid 87   and name HA  ))
      6.000     5.700     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.20691E-04 ppm1      2.729 ppm2      3.874 CV     1

# Unambiguous restraints calibrated and assigned using by Aria from NOESY experiment in D20

 ASSI {    1}
   (( segid "PROT" and resid 79   and name HE1 ))
   (  segid "PROT" and resid 6    and name HG2%)
      2.500     2.500     3.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.39783E-02 ppm1      7.506 ppm2      1.166 CV     1
 ASSI {    5}
   (( segid "PROT" and resid 79   and name HE1 ))
   (  segid "PROT" and resid 121  and name HD2%)
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      7.506 ppm2      0.659 CV     1
 ASSI {    6}
   (( segid "PROT" and resid 79   and name HE1 ))
   (  segid "PROT" and resid 121  and name HD1%)
      3.400     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.73048E-03 ppm1      7.506 ppm2      0.598 CV     1
 ASSI {    7}
   (( segid "PROT" and resid 79   and name HE1 ))
   (  segid "PROT" and resid 89   and name HG2%)
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.12101E-02 ppm1      7.506 ppm2      0.466 CV     1
 ASSI {    8}
   (( segid "PROT" and resid 79   and name HE1 ))
   (  segid "PROT" and resid 78   and name HG1%)
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.54799E-03 ppm1      7.506 ppm2     -0.298 CV     1
 ASSI {   19}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 122  and name HA  ))
      2.600     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.36822E-02 ppm1      7.401 ppm2      4.976 CV     1
 ASSI {   21}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 118  and name HA  ))
      3.700     1.700     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.86409E-03 ppm1      7.401 ppm2      3.695 CV     1
 ASSI {   22}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 122  and name HB2 ))
      2.900     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      7.402 ppm2      3.492 CV     1
 ASSI {   23}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 122  and name HB1 ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      7.401 ppm2      2.964 CV     1
 ASSI {   24}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 118  and name HB  ))
      3.500     3.500     2.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.31198E-03 ppm1      7.402 ppm2      2.039 CV     1
 ASSI {   25}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 3    and name HB2 ))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13211E-03 ppm1      7.402 ppm2      1.857 CV     1
 OR {   25}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 3    and name HB1 ))
 ASSI {   26}
   (  segid "PROT" and resid 122  and name HD% )
   (  segid "PROT" and resid 121  and name HD1%)
      4.400     2.400     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.17185E-03 ppm1      7.402 ppm2      0.597 CV     1
 ASSI {   27}
   (  segid "PROT" and resid 122  and name HD% )
   (  segid "PROT" and resid 122  and name HE% )
      2.000     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.14943E-01 ppm1      7.400 ppm2      7.170 CV     1
 ASSI {   29}
   (  segid "PROT" and resid 122  and name HD% )
   (  segid "PROT" and resid 118  and name HG2%)
      2.600     2.600     3.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.36347E-02 ppm1      7.401 ppm2      1.021 CV     1
 ASSI {   30}
   (  segid "PROT" and resid 122  and name HD% )
   (( segid "PROT" and resid 121  and name HG  ))
      4.400     2.500     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.13892E-03 ppm1      7.401 ppm2      0.932 CV     1
 ASSI {   32}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "PROT" and resid 78   and name HG1%)
      3.400     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.68350E-03 ppm1      7.307 ppm2     -0.296 CV     1
 ASSI {   33}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "PROT" and resid 10   and name HE% )
      1.900     0.500     0.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.18000E-01 ppm1      7.302 ppm2      6.762 CV     1
 ASSI {   34}
   (  segid "PROT" and resid 10   and name HD% )
   (( segid "PROT" and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.22743E-02 ppm1      7.304 ppm2      4.175 CV     1
 ASSI {   35}
   (  segid "PROT" and resid 10   and name HD% )
   (( segid "PROT" and resid 6    and name HA  ))
      2.600     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.30563E-02 ppm1      7.303 ppm2      3.798 CV     1
 ASSI {   36}
   (  segid "PROT" and resid 10   and name HD% )
   (( segid "PROT" and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.31524E-02 ppm1      7.303 ppm2      3.286 CV     1
 ASSI {   37}
   (  segid "PROT" and resid 10   and name HD% )
   (( segid "PROT" and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.26409E-02 ppm1      7.303 ppm2      2.956 CV     1
 ASSI {   39}
   (  segid "PROT" and resid 10   and name HD% )
   (( segid "PROT" and resid 78   and name HB  ))
      4.700     2.700     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.19011E-03 ppm1      7.300 ppm2      1.326 CV     1
 ASSI {   40}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "PROT" and resid 6    and name HG2%)
      2.900     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.35844E-02 ppm1      7.303 ppm2      1.167 CV     1
 ASSI {   43}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "PROT" and resid 78   and name HG2%)
      3.000     1.100     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15954E-02 ppm1      7.303 ppm2      0.365 CV     1
 ASSI {   54}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 3    and name HB2 ))
      4.100     2.100     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.12913E-03 ppm1      7.174 ppm2      1.863 CV     1
 OR {   54}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 3    and name HB1 ))
 ASSI {   56}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 3    and name HA  ))
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.20439E-02 ppm1      7.169 ppm2      3.799 CV     1
 ASSI {   57}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 118  and name HA  ))
      4.300     2.300     1.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.93147E-04 ppm1      7.171 ppm2      3.694 CV     1
 ASSI {   58}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 6    and name HB  ))
      3.000     1.100     1.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.12211E-02 ppm1      7.168 ppm2      2.360 CV     1
 ASSI {   60}
   (  segid "PROT" and resid 122  and name HE% )
   (  segid "PROT" and resid 118  and name HG2%)
      2.500     2.500     3.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.26507E-02 ppm1      7.170 ppm2      1.024 CV     1
 ASSI {   65}
   (  segid "PROT" and resid 67   and name HD% )
   (  segid "PROT" and resid 67   and name HE% )
      2.000     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.15260E-01 ppm1      7.134 ppm2      6.785 CV     1
 ASSI {   67}
   (  segid "PROT" and resid 67   and name HD% )
   (( segid "PROT" and resid 67   and name HA  ))
      3.000     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      7.135 ppm2      4.573 CV     1
 ASSI {   69}
   (  segid "PROT" and resid 67   and name HD% )
   (( segid "PROT" and resid 67   and name HB1 ))
      2.600     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.25975E-02 ppm1      7.135 ppm2      3.156 CV     1
 ASSI {   70}
   (  segid "PROT" and resid 67   and name HD% )
   (( segid "PROT" and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.135 ppm2      2.826 CV     1
 ASSI {   73}
   (( segid "PROT" and resid 74   and name HN  ))
   (  segid "PROT" and resid 75   and name HD1%)
      4.300     2.300     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.36526E-03 ppm1      7.133 ppm2      1.020 CV     1
 OR {   73}
   (( segid "PROT" and resid 74   and name HN  ))
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI {   74}
   (  segid "PROT" and resid 67   and name HD% )
   (  segid "PROT" and resid 68   and name HG1%)
      3.300     3.300     2.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      7.131 ppm2      0.596 CV     1
 ASSI {   79}
   (  segid "PROT" and resid 72   and name HD% )
   (( segid "PROT" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.76802E-02 ppm1      7.057 ppm2      4.419 CV     1
 ASSI {   82}
   (  segid "PROT" and resid 72   and name HD% )
   (( segid "PROT" and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.31940E-02 ppm1      7.057 ppm2      3.686 CV     1
 ASSI {   83}
   (  segid "PROT" and resid 72   and name HD% )
   (( segid "PROT" and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.36073E-02 ppm1      7.057 ppm2      3.171 CV     1
 ASSI {   84}
   (  segid "PROT" and resid 72   and name HD% )
   (( segid "PROT" and resid 71   and name HB  ))
      3.600     1.600     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.56615E-03 ppm1      7.056 ppm2      2.382 CV     1
 ASSI {   87}
   (  segid "PROT" and resid 72   and name HD% )
   (( segid "PROT" and resid 90   and name HG1 ))
      3.000     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10886E-02 ppm1      7.055 ppm2      1.829 CV     1
 ASSI {   93}
   (  segid "PROT" and resid 72   and name HD% )
   (  segid "PROT" and resid 68   and name HG1%)
      3.600     1.600     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.67215E-03 ppm1      7.056 ppm2      0.575 CV     1
 ASSI {   95}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 14   and name HA  ))
      3.500     1.600     1.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.11332E-02 ppm1      7.041 ppm2      4.574 CV     1
 ASSI {   96}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.26976E-02 ppm1      7.041 ppm2      4.035 CV     1
 ASSI {   98}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 14   and name HG  ))
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.55471E-02 ppm1      7.041 ppm2      2.280 CV     1
 ASSI {  101}
   (  segid "PROT" and resid 13   and name HD% )
   (  segid "PROT" and resid 13   and name HE% )
      2.000     0.500     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13609E-01 ppm1      7.039 ppm2      6.849 CV     1
 ASSI {  102}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 10   and name HA  ))
      4.300     2.300     1.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.22742E-03 ppm1      7.040 ppm2      4.176 CV     1
 ASSI {  103}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.34502E-03 ppm1      7.038 ppm2      3.505 CV     1
 ASSI {  104}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 13   and name HB1 ))
      2.500     0.800     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.42642E-02 ppm1      7.040 ppm2      3.283 CV     1
 ASSI {  105}
   (  segid "PROT" and resid 13   and name HD% )
   (( segid "PROT" and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.54727E-02 ppm1      7.040 ppm2      3.034 CV     1
 ASSI {  107}
   (  segid "PROT" and resid 13   and name HD% )
   (  segid "PROT" and resid 14   and name HD1%)
      2.500     2.500     3.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.56636E-02 ppm1      7.040 ppm2      1.139 CV     1
 ASSI {  109}
   (  segid "PROT" and resid 13   and name HD% )
   (  segid "PROT" and resid 78   and name HG2%)
      3.000     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      7.039 ppm2      0.366 CV     1
 ASSI {  110}
   (  segid "PROT" and resid 13   and name HD% )
   (  segid "PROT" and resid 78   and name HG1%)
      5.900     4.300     0.100 peak   110 spectrum    1 weight  0.10000E+01 volume  0.67465E-04 ppm1      7.039 ppm2     -0.293 CV     1
 ASSI {  111}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 90   and name HE1 ))
      5.900     4.400     0.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.60742E-04 ppm1      6.998 ppm2      2.270 CV     1
 ASSI {  112}
   (  segid "PROT" and resid 72   and name HE% )
   (  segid "PROT" and resid 72   and name HD% )
      1.800     0.400     0.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.27675E-01 ppm1      6.993 ppm2      7.054 CV     1
 ASSI {  113}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 72   and name HA  ))
      4.000     2.000     2.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.94777E-03 ppm1      6.994 ppm2      4.419 CV     1
 ASSI {  114}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.32095E-02 ppm1      6.991 ppm2      3.882 CV     1
 ASSI {  115}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 69   and name HA  ))
      4.500     2.500     1.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.17726E-03 ppm1      6.991 ppm2      3.834 CV     1
 ASSI {  117}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.82937E-03 ppm1      6.993 ppm2      3.191 CV     1
 ASSI {  119}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 90   and name HG1 ))
      4.600     2.600     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.13271E-03 ppm1      6.991 ppm2      1.823 CV     1
 ASSI {  123}
   (  segid "PROT" and resid 72   and name HE% )
   (  segid "PROT" and resid 75   and name HD1%)
      3.200     1.300     1.300 peak   123 spectrum    1 weight  0.10000E+01 volume  0.16147E-02 ppm1      6.993 ppm2      1.029 CV     1
 OR {  123}
   (  segid "PROT" and resid 72   and name HE% )
   (  segid "PROT" and resid 75   and name HG2%)
 ASSI {  124}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 90   and name HD2 ))
      4.400     2.500     1.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.27832E-03 ppm1      6.991 ppm2      0.799 CV     1
 ASSI {  126}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 90   and name HG2 ))
      4.400     2.500     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.15408E-03 ppm1      6.994 ppm2      0.682 CV     1
 ASSI {  127}
   (  segid "PROT" and resid 72   and name HE% )
   (  segid "PROT" and resid 68   and name HG1%)
      2.900     2.900     3.100 peak   127 spectrum    1 weight  0.10000E+01 volume  0.21531E-02 ppm1      6.991 ppm2      0.575 CV     1
 ASSI {  128}
   (  segid "PROT" and resid 72   and name HE% )
   (( segid "PROT" and resid 94   and name HA  ))
      4.200     2.200     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.24866E-03 ppm1      6.988 ppm2      4.631 CV     1
 ASSI {  130}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 79   and name HE1 ))
      5.000     3.200     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.11892E-03 ppm1      6.932 ppm2      7.508 CV     1
 ASSI {  131}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 75   and name HA  ))
      2.100     0.600     0.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.63947E-02 ppm1      6.931 ppm2      3.611 CV     1
 ASSI {  132}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.37893E-03 ppm1      6.930 ppm2      3.387 CV     1
 ASSI {  133}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      6.930 ppm2      3.026 CV     1
 ASSI {  134}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 75   and name HG11))
      3.900     1.900     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      6.931 ppm2      2.113 CV     1
 OR {  134}
   (( segid "PROT" and resid 79   and name HD2 ))
   (( segid "PROT" and resid 75   and name HB  ))
 ASSI {  137}
   (( segid "PROT" and resid 79   and name HD2 ))
   (  segid "PROT" and resid 75   and name HG2%)
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.59435E-02 ppm1      6.931 ppm2      1.014 CV     1
 ASSI {  138}
   (( segid "PROT" and resid 79   and name HD2 ))
   (  segid "PROT" and resid 89   and name HG1%)
      3.300     3.300     2.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.10928E-02 ppm1      6.931 ppm2      0.950 CV     1
 ASSI {  139}
   (( segid "PROT" and resid 79   and name HD2 ))
   (  segid "PROT" and resid 89   and name HG2%)
      3.900     1.900     1.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.33910E-03 ppm1      6.931 ppm2      0.466 CV     1
 ASSI {  140}
   (( segid "PROT" and resid 79   and name HD2 ))
   (  segid "PROT" and resid 78   and name HG2%)
      3.100     3.100     2.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.69300E-03 ppm1      6.929 ppm2      0.364 CV     1
 ASSI {  141}
   (( segid "PROT" and resid 79   and name HD2 ))
   (  segid "PROT" and resid 78   and name HG1%)
      3.100     1.200     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10681E-02 ppm1      6.930 ppm2     -0.297 CV     1
 ASSI {  145}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.30315E-03 ppm1      6.848 ppm2      4.035 CV     1
 ASSI {  146}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 74   and name HA  ))
      2.900     1.000     1.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      6.848 ppm2      3.507 CV     1
 ASSI {  147}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 13   and name HB2 ))
      4.000     2.000     2.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.70013E-03 ppm1      6.849 ppm2      3.033 CV     1
 ASSI {  148}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 74   and name HG1 ))
      4.000     2.000     2.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.88122E-03 ppm1      6.848 ppm2      2.498 CV     1
 ASSI {  149}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 14   and name HG  ))
      4.200     2.200     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.29437E-03 ppm1      6.847 ppm2      2.282 CV     1
 ASSI {  153}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 74   and name HG2 ))
      3.300     1.400     1.400 peak   153 spectrum    1 weight  0.10000E+01 volume  0.19880E-02 ppm1      6.848 ppm2      1.814 CV     1
 ASSI {  154}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 78   and name HB  ))
      3.600     1.600     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.97119E-03 ppm1      6.848 ppm2      1.324 CV     1
 ASSI {  155}
   (  segid "PROT" and resid 13   and name HE% )
   (( segid "PROT" and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.51178E-02 ppm1      6.848 ppm2      1.231 CV     1
 ASSI {  157}
   (  segid "PROT" and resid 13   and name HE% )
   (  segid "PROT" and resid 14   and name HD1%)
      3.000     1.100     1.100 peak   157 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      6.848 ppm2      1.138 CV     1
 ASSI {  159}
   (  segid "PROT" and resid 13   and name HE% )
   (  segid "PROT" and resid 58   and name HG2%)
      3.200     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.85055E-03 ppm1      6.847 ppm2      0.974 CV     1
 ASSI {  160}
   (  segid "PROT" and resid 13   and name HE% )
   (  segid "PROT" and resid 58   and name HD1%)
      4.500     2.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.21703E-03 ppm1      6.847 ppm2      0.815 CV     1
 ASSI {  161}
   (  segid "PROT" and resid 13   and name HE% )
   (  segid "PROT" and resid 78   and name HG2%)
      4.200     2.200     1.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.23082E-03 ppm1      6.847 ppm2      0.368 CV     1
 ASSI {  164}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 67   and name HB2 ))
      5.900     4.300     0.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.63864E-04 ppm1      6.783 ppm2      2.823 CV     1
 ASSI {  165}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HE1 ))
      4.100     2.100     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.13155E-03 ppm1      6.786 ppm2      2.701 CV     1
 OR {  165}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HE2 ))
 ASSI {  166}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 65   and name HG1 ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.31461E-04 ppm1      6.784 ppm2      2.242 CV     1
 OR {  166}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 65   and name HG2 ))
 ASSI {  167}
   (( segid "PROT" and resid 21   and name HN  ))
   (( segid "PROT" and resid 20   and name HG1 ))
      4.700     2.700     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.35986E-03 ppm1      6.783 ppm2      2.183 CV     1
 ASSI {  169}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 65   and name HB1 ))
      2.700     0.900     0.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.21761E-02 ppm1      6.783 ppm2      1.902 CV     1
 ASSI {  170}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HB1 ))
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.57082E-02 ppm1      6.784 ppm2      1.834 CV     1
 OR {  170}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HB2 ))
 ASSI {  171}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HD2 ))
      4.400     2.500     1.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.13423E-03 ppm1      6.783 ppm2      1.541 CV     1
 OR {  171}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HD1 ))
 ASSI {  172}
   (( segid "PROT" and resid 21   and name HN  ))
   (  segid "PROT" and resid 22   and name HB% )
      4.000     2.000     2.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.75345E-03 ppm1      6.785 ppm2      1.453 CV     1
 ASSI {  173}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HG1 ))
      3.700     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.46317E-03 ppm1      6.785 ppm2      1.299 CV     1
 ASSI {  175}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 13   and name HD% )
      4.600     2.700     1.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16324E-03 ppm1      6.764 ppm2      7.060 CV     1
 ASSI {  177}
   (  segid "PROT" and resid 10   and name HE% )
   (( segid "PROT" and resid 79   and name HE1 ))
      3.100     1.200     1.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14458E-02 ppm1      6.761 ppm2      7.505 CV     1
 ASSI {  178}
   (  segid "PROT" and resid 10   and name HE% )
   (( segid "PROT" and resid 123  and name HN  ))
      3.500     3.500     2.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.81865E-03 ppm1      6.760 ppm2      7.355 CV     1
 ASSI {  180}
   (  segid "PROT" and resid 10   and name HE% )
   (( segid "PROT" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.58325E-03 ppm1      6.761 ppm2      3.798 CV     1
 ASSI {  181}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 74   and name HE% )
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.20803E-02 ppm1      6.761 ppm2      2.004 CV     1
 ASSI {  183}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 6    and name HG2%)
      2.500     2.500     3.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.49035E-02 ppm1      6.762 ppm2      1.167 CV     1
 ASSI {  185}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 121  and name HD2%)
      4.000     2.000     2.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.29303E-03 ppm1      6.760 ppm2      0.658 CV     1
 ASSI {  186}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 121  and name HD1%)
      3.200     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      6.761 ppm2      0.598 CV     1
 ASSI {  187}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 78   and name HG2%)
      3.600     1.600     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.57641E-03 ppm1      6.760 ppm2      0.366 CV     1
 ASSI {  188}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 78   and name HG1%)
      3.000     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.13441E-02 ppm1      6.760 ppm2     -0.296 CV     1
 ASSI {  189}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "PROT" and resid 113  and name HE% )
      2.000     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.14225E-01 ppm1      6.720 ppm2      6.579 CV     1
 ASSI {  190}
   (  segid "PROT" and resid 113  and name HD% )
   (( segid "PROT" and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.49371E-02 ppm1      6.720 ppm2      3.900 CV     1
 ASSI {  192}
   (  segid "PROT" and resid 113  and name HD% )
   (( segid "PROT" and resid 113  and name HB2 ))
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.54037E-02 ppm1      6.721 ppm2      2.885 CV     1
 ASSI {  193}
   (  segid "PROT" and resid 113  and name HD% )
   (( segid "PROT" and resid 113  and name HB1 ))
      2.300     0.700     0.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.51172E-02 ppm1      6.720 ppm2      2.808 CV     1
 ASSI {  194}
   (  segid "PROT" and resid 113  and name HD% )
   (( segid "PROT" and resid 96   and name HB1 ))
      4.000     2.000     2.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.21481E-03 ppm1      6.720 ppm2      2.584 CV     1
 ASSI {  198}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "PROT" and resid 100  and name HB% )
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.37145E-02 ppm1      6.720 ppm2      1.548 CV     1
 ASSI {  202}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "PROT" and resid 66   and name HD1%)
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      6.720 ppm2      0.776 CV     1
 ASSI {  204}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "PROT" and resid 66   and name HD2%)
      4.100     2.100     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.22375E-03 ppm1      6.719 ppm2      0.593 CV     1
 ASSI {  206}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 56   and name HB1 ))
      4.500     2.600     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.29478E-03 ppm1      6.717 ppm2      2.017 CV     1
 OR {  206}
   (( segid "PROT" and resid 61   and name HN  ))
   (( segid "PROT" and resid 56   and name HB2 ))
 ASSI {  213}
   (  segid "PROT" and resid 117  and name HD% )
   (  segid "PROT" and resid 117  and name HE% )
      1.900     0.500     0.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.18049E-01 ppm1      6.590 ppm2      6.441 CV     1
 ASSI {  214}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.29507E-02 ppm1      6.589 ppm2      4.238 CV     1
 ASSI {  216}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 117  and name HA  ))
      3.000     1.100     1.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.13802E-02 ppm1      6.590 ppm2      3.537 CV     1
 ASSI {  217}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 117  and name HB1 ))
      2.500     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      6.590 ppm2      3.000 CV     1
 ASSI {  218}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 117  and name HB2 ))
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.46662E-02 ppm1      6.587 ppm2      2.396 CV     1
 ASSI {  220}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 121  and name HB2 ))
      3.400     1.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      6.589 ppm2      1.025 CV     1
 ASSI {  221}
   (  segid "PROT" and resid 117  and name HD% )
   (  segid "PROT" and resid 118  and name HD1%)
      4.200     2.200     1.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.26066E-03 ppm1      6.589 ppm2      0.877 CV     1
 ASSI {  222}
   (  segid "PROT" and resid 117  and name HD% )
   (  segid "PROT" and resid 121  and name HD2%)
      4.500     2.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.15133E-03 ppm1      6.590 ppm2      0.661 CV     1
 ASSI {  226}
   (  segid "PROT" and resid 113  and name HE% )
   (( segid "PROT" and resid 113  and name HB1 ))
      4.300     2.400     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.36753E-03 ppm1      6.580 ppm2      2.801 CV     1
 ASSI {  227}
   (  segid "PROT" and resid 113  and name HE% )
   (( segid "PROT" and resid 96   and name HB1 ))
      3.400     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.73619E-03 ppm1      6.580 ppm2      2.592 CV     1
 ASSI {  231}
   (  segid "PROT" and resid 113  and name HE% )
   (( segid "PROT" and resid 97   and name HA  ))
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.42971E-02 ppm1      6.577 ppm2      3.898 CV     1
 ASSI {  232}
   (  segid "PROT" and resid 113  and name HE% )
   (( segid "PROT" and resid 113  and name HB2 ))
      4.800     2.900     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.19953E-03 ppm1      6.576 ppm2      2.888 CV     1
 ASSI {  234}
   (  segid "PROT" and resid 113  and name HE% )
   (( segid "PROT" and resid 97   and name HG11))
      2.700     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.34108E-02 ppm1      6.577 ppm2      2.021 CV     1
 ASSI {  238}
   (  segid "PROT" and resid 117  and name HD% )
   (( segid "PROT" and resid 121  and name HB1 ))
      3.200     1.300     1.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.79959E-03 ppm1      6.578 ppm2      1.121 CV     1
 ASSI {  242}
   (  segid "PROT" and resid 117  and name HE% )
   (( segid "PROT" and resid 92   and name HG11))
      5.000     3.100     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.11430E-03 ppm1      6.442 ppm2      1.710 CV     1
 ASSI {  244}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "PROT" and resid 10   and name HE% )
      3.400     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.80826E-03 ppm1      6.438 ppm2      6.763 CV     1
 ASSI {  245}
   (  segid "PROT" and resid 117  and name HE% )
   (( segid "PROT" and resid 93   and name HA  ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.16665E-02 ppm1      6.439 ppm2      4.238 CV     1
 ASSI {  247}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "PROT" and resid 93   and name HB% )
      2.500     2.500     3.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.49426E-02 ppm1      6.439 ppm2      1.762 CV     1
 ASSI {  248}
   (  segid "PROT" and resid 117  and name HE% )
   (( segid "PROT" and resid 75   and name HG12))
      5.100     3.300     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.63464E-04 ppm1      6.438 ppm2      1.300 CV     1
 ASSI {  253}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "PROT" and resid 121  and name HD2%)
      3.400     3.400     2.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.68658E-03 ppm1      6.438 ppm2      0.658 CV     1
 ASSI {  254}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "PROT" and resid 121  and name HD1%)
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20685E-02 ppm1      6.439 ppm2      0.598 CV     1
 ASSI {  255}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "PROT" and resid 92   and name HG2%)
      5.100     3.300     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.63254E-04 ppm1      6.436 ppm2      0.460 CV     1
 ASSI {  260}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 6    and name HG2%)
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.41761E-02 ppm1      6.762 ppm2      1.205 CV     1
 OR {  260}
   (  segid "PROT" and resid 10   and name HE% )
   (  segid "PROT" and resid 6    and name HG1%)
 ASSI {  267}
   (( segid "PROT" and resid 118  and name HN  ))
   (  segid "PROT" and resid 117  and name HD% )
      4.800     2.800     1.200 peak   267 spectrum    1 weight  0.10000E+01 volume  0.20516E-03 ppm1      8.486 ppm2      6.591 CV     1
 ASSI {  268}
   (( segid "PROT" and resid 14   and name HN  ))
   (  segid "PROT" and resid 13   and name HD% )
      3.400     1.500     1.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.96445E-03 ppm1      8.322 ppm2      7.039 CV     1
 ASSI {  279}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 54   and name HN  ))
      3.300     1.300     1.300 peak   279 spectrum    1 weight  0.10000E+01 volume  0.73388E-03 ppm1      8.347 ppm2      8.178 CV     1
 ASSI {  281}
   (( segid "PROT" and resid 58   and name HN  ))
   (( segid "PROT" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      7.841 ppm2      4.558 CV     1
 ASSI {  284}
   (( segid "PROT" and resid 60   and name HN  ))
   (( segid "PROT" and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      8.270 ppm2      1.660 CV     1
 ASSI {  285}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.19063E-02 ppm1      8.186 ppm2      3.364 CV     1
 ASSI {  286}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 55   and name HA  ))
      3.700     1.700     1.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.42275E-03 ppm1      8.345 ppm2      3.756 CV     1
 ASSI {  296}
   (( segid "PROT" and resid 93   and name HN  ))
   (  segid "PROT" and resid 92   and name HD1%)
      3.900     1.900     1.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.85061E-03 ppm1      8.799 ppm2      0.521 CV     1
 ASSI {  301}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 18   and name HG11))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.53402E-03 ppm1      8.431 ppm2      1.805 CV     1
 ASSI {  302}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.24307E-03 ppm1      8.435 ppm2      3.485 CV     1
 ASSI {  303}
   (( segid "PROT" and resid 55   and name HN  ))
   (( segid "PROT" and resid 55   and name HG2 ))
      3.300     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.15799E-02 ppm1      8.351 ppm2      2.711 CV     1
 ASSI {  308}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 56   and name HA  ))
      3.700     1.700     1.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.43208E-03 ppm1      8.225 ppm2      4.548 CV     1
 ASSI {  310}
   (( segid "PROT" and resid 57   and name HN  ))
   (( segid "PROT" and resid 53   and name HA  ))
      4.500     2.500     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15797E-03 ppm1      8.228 ppm2      4.191 CV     1
 ASSI {  311}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 53   and name HA  ))
      3.300     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.88507E-03 ppm1      8.179 ppm2      4.187 CV     1
 ASSI {  313}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 53   and name HB1 ))
      2.900     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.14340E-02 ppm1      8.182 ppm2      3.561 CV     1
 ASSI {  314}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 53   and name HB2 ))
      3.600     1.600     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.13622E-02 ppm1      8.184 ppm2      3.273 CV     1
 ASSI {  318}
   (( segid "PROT" and resid 51   and name HN  ))
   (( segid "PROT" and resid 29   and name HN  ))
      4.300     2.300     1.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10049E-03 ppm1      8.266 ppm2      8.807 CV     1
 ASSI {  324}
   (( segid "PROT" and resid 18   and name HN  ))
   (( segid "PROT" and resid 18   and name HB  ))
      3.900     1.900     1.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.22635E-03 ppm1      8.435 ppm2      1.890 CV     1
 ASSI {  333}
   (( segid "PROT" and resid 14   and name HN  ))
   (( segid "PROT" and resid 13   and name HB1 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.18577E-02 ppm1      8.322 ppm2      3.279 CV     1
 ASSI {  337}
   (( segid "PROT" and resid 54   and name HN  ))
   (( segid "PROT" and resid 54   and name HB  ))
      2.400     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.49409E-02 ppm1      8.183 ppm2      2.290 CV     1
 ASSI {  341}
   (( segid "PROT" and resid 117  and name HN  ))
   (( segid "PROT" and resid 116  and name HB2 ))
      3.300     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.97177E-03 ppm1      8.004 ppm2      3.252 CV     1
 ASSI {  343}
   (( segid "PROT" and resid 86   and name HN  ))
   (( segid "PROT" and resid 76   and name HA  ))
      5.200     3.300     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.24390E-03 ppm1      8.005 ppm2      3.749 CV     1
 ASSI {  355}
   (  segid "PROT" and resid 122  and name HE% )
   (( segid "PROT" and resid 122  and name HA  ))
      3.900     1.900     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.16247E-03 ppm1      7.174 ppm2      4.978 CV     1
 ASSI {  359}
   (  segid "PROT" and resid 67   and name HE% )
   (( segid "PROT" and resid 62   and name HA  ))
      3.800     1.800     1.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20136E-03 ppm1      6.784 ppm2      4.523 CV     1
 ASSI {    1}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "TSPX" and resid 124  and name H6% )
      2.800     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.60204E-03 ppm1      7.316 ppm2     -0.010 CV     1
 OR {    1}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "TSPX" and resid 124  and name H5% )
 OR {    1}
   (  segid "PROT" and resid 10   and name HD% )
   (  segid "TSPX" and resid 124  and name H4% )
 ASSI {    1}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "TSPX" and resid 124  and name H6% )
      3.000     3.000     3.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.38483E-03 ppm1      6.709 ppm2     -0.010 CV     1
 OR {    1}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "TSPX" and resid 124  and name H4% )
 OR {    1}
   (  segid "PROT" and resid 113  and name HD% )
   (  segid "TSPX" and resid 124  and name H5% )
 ASSI {    3}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "TSPX" and resid 124  and name H6% )
      3.200     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.27680E-03 ppm1      6.430 ppm2     -0.009 CV     1
 OR {    3}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "TSPX" and resid 124  and name H4% )
 OR {    3}
   (  segid "PROT" and resid 117  and name HE% )
   (  segid "TSPX" and resid 124  and name H5% )
 ASSI {    4}
   (  segid "PROT" and resid 74   and name HE% )
   (  segid "TSPX" and resid 124  and name H6% )
      2.200     2.200     3.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.24810E-02 ppm1      2.010 ppm2     -0.006 CV     1
 OR {    4}
   (  segid "PROT" and resid 74   and name HE% )
   (  segid "TSPX" and resid 124  and name H5% )
 OR {    4}
   (  segid "PROT" and resid 74   and name HE% )
   (  segid "TSPX" and resid 124  and name H4% )


# Unambiguous restraints manually calibrated and assigned from 13C-NOESY-HSQC experiment at 283K

assign ( segid "PROT" and resid 21  and name HN ) ( segid "PROT" and resid 23 and name HN ) 5 3.2 0.0
assign ( segid "PROT" and resid 30  and name HN ) ( segid "PROT" and resid 32 and name HN ) 5 3.2 0.0
assign ( segid "PROT" and resid 30  and name HN ) ( segid "PROT" and resid 28 and name HA ) 4 2.2 0.0
assign ( segid "PROT" and resid 31  and name HN ) ( segid "PROT" and resid 33 and name HN ) 5 3.2 0.0
assign ( segid "PROT" and resid 34  and name HN ) ( segid "PROT" and resid 31 and name HA ) 5 3.2 0.0
assign ( segid "PROT" and resid 34  and name HN ) ( segid "PROT" and resid 35 and name HG12 ) 5 3.2 1.5
assign ( segid "PROT" and resid 36  and name HN ) ( segid "PROT" and resid 37 and name HB% ) 4 2.2 1.0
assign ( segid "PROT" and resid 36  and name HN ) ( segid "PROT" and resid 34 and name HA) 5 3.2 0.0
assign ( segid "PROT" and resid 40  and name HN ) ( segid "PROT" and resid 37 and name HB%) 5 3.2 0 
assign ( segid "PROT" and resid 41  and name HN ) ( segid "PROT" and resid 38 and name HB%) 5 3.2 0 
assign ( segid "PROT" and resid 52  and name HN ) ( segid "PROT" and resid 49 and name HB%) 4 2.2 0.0 
assign ( segid "PROT" and resid 104  and name HN ) ( segid "PROT" and resid 105 and name HB1) 5 3.2 0.0 
assign ( segid "PROT" and resid 104  and name HN ) ( segid "PROT" and resid 105 and name HB2) 5 3.2 0.0 
assign ( segid "PROT" and resid 107  and name HN ) ( segid "PROT" and resid 49 and name HB%) 5 3.2 1.0 
assign ( segid "PROT" and resid 111  and name HN ) ( segid "PROT" and resid 109 and name HA) 5 3.2 1.0 
assign ( segid "PROT" and resid 115  and name HN ) ( segid "PROT" and resid 112 and name HA) 4 2.2 1.0 

# Hbond restraints determined from H/D exchange experiments

assign ( segid "PROT" and resid 4  and name O ) ( segid "PROT" and resid 8 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 5  and name O ) ( segid "PROT" and resid 8 and name HN )
assign ( segid "PROT" and resid 4  and name O ) ( segid "PROT" and resid 8 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 5  and name O ) ( segid "PROT" and resid 8 and name  N ) 

assign ( segid "PROT" and resid 5  and name O ) ( segid "PROT" and resid 9 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 6  and name O ) ( segid "PROT" and resid 9 and name HN ) 
assign ( segid "PROT" and resid 5  and name O ) ( segid "PROT" and resid 9 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 6  and name O ) ( segid "PROT" and resid 9 and name  N )

assign ( segid "PROT" and resid 8  and name O ) ( segid "PROT" and resid 12 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 9  and name O ) ( segid "PROT" and resid 12 and name HN )
assign ( segid "PROT" and resid 8  and name O ) ( segid "PROT" and resid 12 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 9  and name O ) ( segid "PROT" and resid 12 and name  N )

assign ( segid "PROT" and resid 10  and name O ) ( segid "PROT" and resid 14 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 11  and name O ) ( segid "PROT" and resid 14 and name HN )
assign ( segid "PROT" and resid 10  and name O ) ( segid "PROT" and resid 14 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 11  and name O ) ( segid "PROT" and resid 14 and name  N )

assign ( segid "PROT" and resid 11  and name O ) ( segid "PROT" and resid 15 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 12  and name O ) ( segid "PROT" and resid 15 and name HN ) 
assign ( segid "PROT" and resid 11  and name O ) ( segid "PROT" and resid 15 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 12  and name O ) ( segid "PROT" and resid 15 and name  N ) 

assign ( segid "PROT" and resid 15  and name O ) ( segid "PROT" and resid 19 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 16  and name O ) ( segid "PROT" and resid 19 and name HN )
assign ( segid "PROT" and resid 15  and name O ) ( segid "PROT" and resid 19 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 16  and name O ) ( segid "PROT" and resid 19 and name  N )

assign ( segid "PROT" and resid 18  and name O ) ( segid "PROT" and resid 21 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 19  and name O ) ( segid "PROT" and resid 21 and name HN ) 
assign ( segid "PROT" and resid 18  and name O ) ( segid "PROT" and resid 21 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 19  and name O ) ( segid "PROT" and resid 21 and name  N ) 

assign ( segid "PROT" and resid 20  and name O ) ( segid "PROT" and resid 23 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 21  and name O ) ( segid "PROT" and resid 23 and name HN ) 
assign ( segid "PROT" and resid 20  and name O ) ( segid "PROT" and resid 23 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 21  and name O ) ( segid "PROT" and resid 23 and name  N ) 

assign ( segid "PROT" and resid 28  and name O ) ( segid "PROT" and resid 32 and name HN ) 1.9 0.4 0.6 
or ( segid "PROT" and resid 29  and name O ) ( segid "PROT" and resid 32 and name HN ) 
assign ( segid "PROT" and resid 28  and name O ) ( segid "PROT" and resid 32 and name  N ) 2.8 0.4 0.6 
or ( segid "PROT" and resid 29  and name O ) ( segid "PROT" and resid 32 and name  N )

assign ( segid "PROT" and resid 49  and name O ) ( segid "PROT" and resid 53 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 50  and name O ) ( segid "PROT" and resid 53 and name HN ) 
assign ( segid "PROT" and resid 49  and name O ) ( segid "PROT" and resid 53 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 50  and name O ) ( segid "PROT" and resid 53 and name  N )

assign ( segid "PROT" and resid 50  and name O ) ( segid "PROT" and resid 54 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 51  and name O ) ( segid "PROT" and resid 54 and name HN )
assign ( segid "PROT" and resid 50  and name O ) ( segid "PROT" and resid 54 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 51  and name O ) ( segid "PROT" and resid 54 and name  N ) 

assign ( segid "PROT" and resid 52  and name O ) ( segid "PROT" and resid 56 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 53  and name O ) ( segid "PROT" and resid 56 and name HN ) 
assign ( segid "PROT" and resid 52  and name O ) ( segid "PROT" and resid 56 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 53  and name O ) ( segid "PROT" and resid 56 and name  N )

assign ( segid "PROT" and resid 54  and name O ) ( segid "PROT" and resid 58 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 55  and name O ) ( segid "PROT" and resid 58 and name HN ) 
assign ( segid "PROT" and resid 54  and name O ) ( segid "PROT" and resid 58 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 55  and name O ) ( segid "PROT" and resid 58 and name  N ) 

assign ( segid "PROT" and resid 55  and name O ) ( segid "PROT" and resid 60 and name HN ) 1.9 0.4 0.6
assign ( segid "PROT" and resid 55  and name O ) ( segid "PROT" and resid 60 and name  N ) 2.8 0.4 0.6

assign ( segid "PROT" and resid 65  and name O ) ( segid "PROT" and resid 62 and name HN ) 1.9 0.4 0.6
assign ( segid "PROT" and resid 65  and name O ) ( segid "PROT" and resid 62 and name  N ) 2.8 0.4 0.6

assign ( segid "PROT" and resid 62  and name O ) ( segid "PROT" and resid 65 and name HN ) 1.9 0.4 0.6
assign ( segid "PROT" and resid 62  and name O ) ( segid "PROT" and resid 65 and name  N ) 2.8 0.4 0.6

assign ( segid "PROT" and resid 60  and name O ) ( segid "PROT" and resid 67 and name HN ) 1.9 0.4 0.6
assign ( segid "PROT" and resid 60  and name O ) ( segid "PROT" and resid 67 and name  N ) 2.8 0.4 0.6

assign ( segid "PROT" and resid 68  and name O ) ( segid "PROT" and resid 72 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 69  and name O ) ( segid "PROT" and resid 72 and name HN ) 
assign ( segid "PROT" and resid 68  and name O ) ( segid "PROT" and resid 72 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 69  and name O ) ( segid "PROT" and resid 72 and name  N ) 

assign ( segid "PROT" and resid 69  and name O ) ( segid "PROT" and resid 73 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 70  and name O ) ( segid "PROT" and resid 73 and name HN )
assign ( segid "PROT" and resid 69  and name O ) ( segid "PROT" and resid 73 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 70  and name O ) ( segid "PROT" and resid 73 and name  N )

assign ( segid "PROT" and resid 70  and name O ) ( segid "PROT" and resid 74 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 71  and name O ) ( segid "PROT" and resid 74 and name HN ) 
assign ( segid "PROT" and resid 70  and name O ) ( segid "PROT" and resid 74 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 71  and name O ) ( segid "PROT" and resid 74 and name  N ) 

assign ( segid "PROT" and resid 71  and name O ) ( segid "PROT" and resid 75 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 72  and name O ) ( segid "PROT" and resid 75 and name HN )
assign ( segid "PROT" and resid 71  and name O ) ( segid "PROT" and resid 75 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 72  and name O ) ( segid "PROT" and resid 75 and name  N ) 

assign ( segid "PROT" and resid 72  and name O ) ( segid "PROT" and resid 76 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 73  and name O ) ( segid "PROT" and resid 76 and name HN ) 
assign ( segid "PROT" and resid 72  and name O ) ( segid "PROT" and resid 76 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 73  and name O ) ( segid "PROT" and resid 76 and name  N )

assign ( segid "PROT" and resid 73  and name O ) ( segid "PROT" and resid 77 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 74  and name O ) ( segid "PROT" and resid 77 and name HN ) 
assign ( segid "PROT" and resid 73  and name O ) ( segid "PROT" and resid 77 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 74  and name O ) ( segid "PROT" and resid 77 and name  N )

assign ( segid "PROT" and resid 74  and name O ) ( segid "PROT" and resid 78 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 75  and name O ) ( segid "PROT" and resid 78 and name HN ) 
assign ( segid "PROT" and resid 74  and name O ) ( segid "PROT" and resid 78 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 75  and name O ) ( segid "PROT" and resid 78 and name  N )

assign ( segid "PROT" and resid 84  and name O ) ( segid "PROT" and resid 88 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 85  and name O ) ( segid "PROT" and resid 88 and name HN ) 
assign ( segid "PROT" and resid 84  and name O ) ( segid "PROT" and resid 88 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 85  and name O ) ( segid "PROT" and resid 88 and name  N ) 

assign ( segid "PROT" and resid 85  and name O ) ( segid "PROT" and resid 89 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 86  and name O ) ( segid "PROT" and resid 89 and name HN ) 
assign ( segid "PROT" and resid 85  and name O ) ( segid "PROT" and resid 89 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 86  and name O ) ( segid "PROT" and resid 89 and name  N ) 

assign ( segid "PROT" and resid 87  and name O ) ( segid "PROT" and resid 91 and name HN ) 1.9 0.4 0.6
or ( resid 88  and name O ) ( segid "PROT" and resid 91 and name HN )
assign ( segid "PROT" and resid 87  and name O ) ( segid "PROT" and resid 91 and name  N ) 2.8 0.4 0.6
or ( resid 88  and name O ) ( segid "PROT" and resid 91 and name  N )

assign ( segid "PROT" and resid 88  and name O ) ( segid "PROT" and resid 92 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 89  and name O ) ( segid "PROT" and resid 92 and name HN )
assign ( segid "PROT" and resid 88  and name O ) ( segid "PROT" and resid 92 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 89  and name O ) ( segid "PROT" and resid 92 and name  N )

assign ( segid "PROT" and resid 89  and name O ) ( segid "PROT" and resid 93 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 90  and name O ) ( segid "PROT" and resid 93 and name HN ) 
assign ( segid "PROT" and resid 89  and name O ) ( segid "PROT" and resid 93 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 90  and name O ) ( segid "PROT" and resid 93 and name  N )

assign ( segid "PROT" and resid 92  and name O ) ( segid "PROT" and resid 96 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 93  and name O ) ( segid "PROT" and resid 96 and name HN )
assign ( segid "PROT" and resid 92  and name O ) ( segid "PROT" and resid 96 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 93  and name O ) ( segid "PROT" and resid 96 and name  N ) 

assign ( segid "PROT" and resid 95  and name O ) ( segid "PROT" and resid 99 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 96 and name O ) ( segid "PROT" and resid 99 and name HN ) 
assign ( segid "PROT" and resid 95  and name O ) ( segid "PROT" and resid 99 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 96  and name O ) ( segid "PROT" and resid 99 and name  N ) 

assign ( segid "PROT" and resid 106  and name O ) ( segid "PROT" and resid 110 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 107  and name O ) ( segid "PROT" and resid 110 and name HN )
assign ( segid "PROT" and resid 106  and name O ) ( segid "PROT" and resid 110 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 107  and name O ) ( segid "PROT" and resid 110 and name  N )

assign ( segid "PROT" and resid 108  and name O ) ( segid "PROT" and resid 112 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 109  and name O ) ( segid "PROT" and resid 112 and name HN )
assign ( segid "PROT" and resid 108  and name O ) ( segid "PROT" and resid 112 and name  N ) 2.8 0.4 0.6
or  ( segid "PROT" and resid 109  and name O ) ( segid "PROT" and resid 112 and name  N )

assign ( segid "PROT" and resid 109  and name O ) ( segid "PROT" and resid 113 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 110  and name O ) ( segid "PROT" and resid 113 and name HN ) 
assign ( segid "PROT" and resid 109  and name O ) ( segid "PROT" and resid 113 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 110  and name O ) ( segid "PROT" and resid 113 and name  N ) 

assign ( segid "PROT" and resid 112  and name O ) ( segid "PROT" and resid 116 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 113  and name O ) ( segid "PROT" and resid 116 and name HN ) 
assign ( segid "PROT" and resid 112  and name O ) ( segid "PROT" and resid 116 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 113  and name O ) ( segid "PROT" and resid 116 and name  N )

assign ( segid "PROT" and resid 114  and name O ) ( segid "PROT" and resid 118 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 115  and name O ) ( segid "PROT" and resid 118 and name HN ) 
assign ( segid "PROT" and resid 114  and name O ) ( segid "PROT" and resid 118 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 115  and name O ) ( segid "PROT" and resid 118 and name  N ) 

assign ( segid "PROT" and resid 116  and name O ) ( segid "PROT" and resid 120 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 117  and name O ) ( segid "PROT" and resid 120 and name HN )
assign ( segid "PROT" and resid 116  and name O ) ( segid "PROT" and resid 120 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 117  and name O ) ( segid "PROT" and resid 120 and name  N ) 

assign ( segid "PROT" and resid 117  and name O ) ( segid "PROT" and resid 121 and name HN ) 1.9 0.4 0.6
or ( segid "PROT" and resid 118  and name O ) ( segid "PROT" and resid 121 and name HN )
assign ( segid "PROT" and resid 117  and name O ) ( segid "PROT" and resid 121 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 118  and name O ) ( segid "PROT" and resid 121 and name  N )

assign ( segid "PROT" and resid 118  and name O ) ( segid "PROT" and resid 122 and name HN ) 1.9 0.4 0.6
or  ( segid "PROT" and resid 119  and name O ) ( segid "PROT" and resid 122 and name HN ) 
assign ( segid "PROT" and resid 118  and name O ) ( segid "PROT" and resid 122 and name  N ) 2.8 0.4 0.6
or ( segid "PROT" and resid 119  and name O ) ( segid "PROT" and resid 122 and name  N ) 

# Dihedral angles derived from Talos and HNHA experiment

! Talos derived phi restraint:
assign (resid   1 and name C)
       (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       1.0 -85  40 2

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -62  22 2

! Talos derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -65  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 -64  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 -70  30 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 -65  24 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 -62  20 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -78  40 2

! Talos derived phi restraint:
assign (resid  20 and name C)
       (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -69  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 -63  20 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -96  38 2

!   26 J= 8.2 
assign (resid   25 and name C ) (resid   26 and name N )  !hnha
       (resid   26 and name CA) (resid   26 and name C )    1.00  -120  55  2

!   27 J= 9.6        !hnha
assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )    1.00  -120  55  2

!   28 J= 3.8
assign (resid   27 and name C ) (resid   28 and name N )  !hnha
       (resid   28 and name CA) (resid   28 and name C )    1.00  -60  25  2

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! talos OK
!res 29
! Talos derived phi restraint:
assign (resid  28 and name C)       (resid  29 and name N)   
       (resid  29 and name CA)       (resid  29 and name C)       1.0 -65  40 2
! Talos derived psi restraint:
assign (resid  29 and name N)       (resid  29 and name CA)  
       (resid  29 and name C)       (resid  30 and name N)       1.0 -34  44 2

!res 30
! Talos derived phi restraint:
assign (resid  29 and name C)       (resid  30 and name N)   
       (resid  30 and name CA)       (resid  30 and name C)       1.0 -71  60 2
! Talos derived psi restraint:
assign (resid  30 and name N)       (resid  30 and name CA)  
       (resid  30 and name C)       (resid  31 and name N)       1.0 -33  60 2

!res 31
! Talos derived phi restraint:
assign (resid  30 and name C)       (resid  31 and name N)   
       (resid  31 and name CA)       (resid  31 and name C)       1.0 -72  40 2
! Talos derived psi restraint:
assign (resid  31 and name N)       (resid  31 and name CA)  
       (resid  31 and name C)       (resid  32 and name N)       1.0 -32  40 2

!res 32
! 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 -78  52 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 -29  60 2

!res 36
! 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 -88  34 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 -16  66 2

!res 37
!   37 J= 4.4
assign (resid   36 and name C ) (resid   37 and name N )  !hnha
       (resid   37 and name CA) (resid   37 and name C )    1.00  -65 20  2
assign (resid  37 and name N)       (resid  37 and name CA)   
       (resid  37 and name C)       (resid  38 and name N)       1.0 -32  42 2

!res 39
! Talos derived phi restraint:    
assign (resid  38  and name C)  (resid  39 and name N)
       (resid  39 and name CA)  (resid  39 and name C)       1.0 -75  28 2

! Talos derived psi restraint:    
assign (resid  39 and name N)   (resid  39 and name CA)
       (resid  39 and name C)   (resid  40 and name N)       1.0 -21  38 2

!res 40
! Talos derived phi restraint:  
assign (resid  39 and name C)      (resid  40 and name N)  
       (resid  40 and name CA)       (resid  40 and name C)       1.0 -97  28 2
! Talos derived psi restraint:
assign (resid  40 and name N)       (resid  40 and name CA)  
       (resid  40 and name C)       (resid  41 and name N)       1.0   3  28 2

!res 41
! Talos derived phi restraint:    
assign (resid  40  and name C)  (resid  41 and name N)
       (resid  41 and name CA)  (resid  41 and name C)       1.0  83  26 2

! Talos derived psi restraint:    
assign (resid  41 and name N)   (resid  41 and name CA)
       (resid  41 and name C)   (resid  42 and name N)       1.0 9  24 2


!res 42
!   42 J= 4.27     !hnha
assign (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )    1.00 -60  25   2

!res 43
!   43 J= 7.1     !hnha
!assign (resid   42 and name C ) (resid   43 and name N )
!       (resid   43 and name CA) (resid   43 and name C )    1.00    2


! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -65  24 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 -66  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -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 -73  32 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 -69  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -93  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 -131  36 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 -111  26 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 -112  52 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -118  50 2

! Talos derived phi restraint:
assign (resid  66 and name C)
       (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       1.0 -101  48 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -69  28 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 -65  20 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 -65  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 -66  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 -62  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 -68  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 -67  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 -98  30 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 -61  20 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  85 and name C)
       (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       1.0 -67  20 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 -61  20 2

! Talos derived phi restraint:
assign (resid  87 and name C)
       (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       1.0 -63  20 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 -62  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 -67  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 -65  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 -65  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 -64  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 -62  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 -66  20 2

! Talos derived phi restraint:
assign (resid  96 and name C)
       (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  97 and name C)
       (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       1.0 -67  26 2

! Talos derived phi restraint:
assign (resid 102 and name C)
       (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       1.0 -103  42 2

! Talos derived phi restraint:
assign (resid 104 and name C)
       (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       1.0 -79  32 2

! Talos derived phi restraint:
assign (resid 107 and name C)
       (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid 108 and name C)
       (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid 109 and name C)
       (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid 110 and name C)
       (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid 111 and name C)
       (resid 112 and name N)
       (resid 112 and name CA)
       (resid 112 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid 112 and name C)
       (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid 113 and name C)
       (resid 114 and name N)
       (resid 114 and name CA)
       (resid 114 and name C)
       1.0 -69  22 2

! Talos derived phi restraint:
assign (resid 114 and name C)
       (resid 115 and name N)
       (resid 115 and name CA)
       (resid 115 and name C)
       1.0 -76  40 2

! Talos derived phi restraint:
assign (resid 115 and name C)
       (resid 116 and name N)
       (resid 116 and name CA)
       (resid 116 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid 116 and name C)
       (resid 117 and name N)
       (resid 117 and name CA)
       (resid 117 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid 117 and name C)
       (resid 118 and name N)
       (resid 118 and name CA)
       (resid 118 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid 118 and name C)
       (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid 119 and name C)
       (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid 120 and name C)
       (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       1.0 -74  26 2

! Talos derived psi restraint:
assign (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       (resid   3 and name N)
       1.0 113  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 -32  28 2

! Talos derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  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 -39  20 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -42  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 -44  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 -30  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 -40  26 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 -43  20 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 -25  42 2

! Talos derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 -32  30 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 -37  20 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 -32  22 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0   4  34 2




! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -35  22 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -39  26 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  34 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 -36  30 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -40  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 -28  36 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 -35  24 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 -31  22 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0   0  34 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)
       1.0 128  28 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)
       1.0 120  42 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)
       1.0 142  50 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 142  32 2

! Talos derived psi restraint:
assign (resid  67 and name N)
       (resid  67 and name CA)
       (resid  67 and name C)
       (resid  68 and name N)
       1.0 147  46 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -40  22 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 -43  20 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 -43  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 -43  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 -42  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 -39  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 -45  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 -31  22 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)
       1.0 133  46 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 -35  22 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       (resid  87 and name N)
       1.0 -43  20 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 -40  20 2

! Talos derived psi restraint:
assign (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       (resid  89 and name N)
       1.0 -43  20 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 -42  20 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 -36  22 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 -39  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 -41  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 -36  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 -41  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 -39  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 -37  20 2

! Talos derived psi restraint:
assign (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       (resid  98 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       (resid  99 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       (resid 104 and name N)
       1.0 139  42 2

! Talos derived psi restraint:
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1.0 133  60 2

! Talos derived psi restraint:
assign (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       (resid 109 and name N)
       1.0 -36  28 2

! Talos derived psi restraint:
assign (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       (resid 110 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       (resid 111 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       (resid 112 and name N)
       1.0 -33  28 2

! Talos derived psi restraint:
assign (resid 112 and name N)
       (resid 112 and name CA)
       (resid 112 and name C)
       (resid 113 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       (resid 114 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid 114 and name N)
       (resid 114 and name CA)
       (resid 114 and name C)
       (resid 115 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid 115 and name N)
       (resid 115 and name CA)
       (resid 115 and name C)
       (resid 116 and name N)
       1.0 -28  44 2

! Talos derived psi restraint:
assign (resid 116 and name N)
       (resid 116 and name CA)
       (resid 116 and name C)
       (resid 117 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid 117 and name N)
       (resid 117 and name CA)
       (resid 117 and name C)
       (resid 118 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid 118 and name N)
       (resid 118 and name CA)
       (resid 118 and name C)
       (resid 119 and name N)
       1.0 -37  22 2

! Talos derived psi restraint:
assign (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       (resid 120 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       (resid 121 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       (resid 122 and name N)
       1.0 -31  20 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ILE   1           HA       ILE   1  -2.751  14.678   9.444
    2    HB   ILE   1           HB       ILE   1  -0.655  12.888   8.206
    3   1HG1  ILE   1          1HG1      ILE   1  -0.483  15.252   7.538
    4   2HG1  ILE   1          2HG1      ILE   1  -0.995  14.237   6.195
    5   1HG2  ILE   1          1HG2      ILE   1  -2.428  12.256   6.612
    6   2HG2  ILE   1          2HG2      ILE   1  -3.593  13.153   7.586
    7   3HG2  ILE   1          3HG2      ILE   1  -2.780  11.742   8.263
    8   1HD1  ILE   1          1HD1      ILE   1  -2.784  15.983   7.871
    9   2HD1  ILE   1          2HD1      ILE   1  -3.300  14.966   6.526
   10   3HD1  ILE   1          3HD1      ILE   1  -2.219  16.329   6.238
   11    H    ASP   2           H        ASP   2  -3.963  13.744  10.951
   12    HA   ASP   2           HA       ASP   2  -3.141  11.788  12.774
   13   1HB   ASP   2          1HB       ASP   2  -5.969  12.277  11.823
   14   2HB   ASP   2          2HB       ASP   2  -5.477  11.556  13.353
   15    H    GLN   3           H        GLN   3  -3.341   9.579  12.852
   16    HA   GLN   3           HA       GLN   3  -3.056   8.112  10.509
   17   1HB   GLN   3          1HB       GLN   3  -3.262   6.145  11.857
   18   2HB   GLN   3          2HB       GLN   3  -2.436   7.360  12.822
   19   1HG   GLN   3          1HG       GLN   3  -4.457   7.824  14.048
   20   2HG   GLN   3          2HG       GLN   3  -5.368   6.717  13.021
   21   1HE2  GLN   3          1HE2      GLN   3  -6.000   5.404  14.696
   22   2HE2  GLN   3          2HE2      GLN   3  -4.907   4.369  15.543
   23    H    ASP   4           H        ASP   4  -5.875   8.968  12.354
   24    HA   ASP   4           HA       ASP   4  -7.770   7.289  11.201
   25   1HB   ASP   4          1HB       ASP   4  -8.105  10.096  12.270
   26   2HB   ASP   4          2HB       ASP   4  -9.434   8.998  11.912
   27    H    THR   5           H        THR   5  -6.230  10.130   9.967
   28    HA   THR   5           HA       THR   5  -8.151  10.464   7.804
   29    HB   THR   5           HB       THR   5  -5.546  11.938   8.235
   30    HG1  THR   5           1HG      THR   5  -7.286  12.083   9.940
   31   1HG2  THR   5          1HG2      THR   5  -6.451  12.092   5.962
   32   2HG2  THR   5          2HG2      THR   5  -6.570  13.639   6.801
   33   3HG2  THR   5          3HG2      THR   5  -8.001  12.625   6.612
   34    H    VAL   6           H        VAL   6  -5.148   8.961   8.470
   35    HA   VAL   6           HA       VAL   6  -4.173   8.778   5.801
   36    HB   VAL   6           HB       VAL   6  -3.520   7.027   8.173
   37   1HG1  VAL   6          1HG1      VAL   6  -2.864   6.103   5.991
   38   2HG1  VAL   6          2HG1      VAL   6  -1.475   6.514   6.996
   39   3HG1  VAL   6          3HG1      VAL   6  -1.946   7.572   5.665
   40   1HG2  VAL   6          1HG2      VAL   6  -3.131   9.377   8.683
   41   2HG2  VAL   6          2HG2      VAL   6  -2.180   9.552   7.207
   42   3HG2  VAL   6          3HG2      VAL   6  -1.603   8.513   8.511
   43    H    VAL   7           H        VAL   7  -5.784   6.442   7.955
   44    HA   VAL   7           HA       VAL   7  -5.976   4.438   5.933
   45    HB   VAL   7           HB       VAL   7  -7.480   4.622   8.545
   46   1HG1  VAL   7          1HG1      VAL   7  -8.490   3.046   7.000
   47   2HG1  VAL   7          2HG1      VAL   7  -7.692   2.183   8.315
   48   3HG1  VAL   7          3HG1      VAL   7  -6.925   2.279   6.729
   49   1HG2  VAL   7          1HG2      VAL   7  -5.725   3.131   9.418
   50   2HG2  VAL   7          2HG2      VAL   7  -5.087   4.703   8.934
   51   3HG2  VAL   7          3HG2      VAL   7  -4.849   3.295   7.896
   52    H    ALA   8           H        ALA   8  -8.051   7.028   7.046
   53    HA   ALA   8           HA       ALA   8 -10.420   6.042   5.769
   54   1HB   ALA   8          1HB       ALA   8 -11.380   8.220   6.303
   55   2HB   ALA   8          2HB       ALA   8  -9.786   8.821   6.756
   56   3HB   ALA   8          3HB       ALA   8 -10.544   7.538   7.698
   57    H    LYS   9           H        LYS   9  -7.764   8.123   4.822
   58    HA   LYS   9           HA       LYS   9  -9.090   9.080   2.453
   59   1HB   LYS   9          1HB       LYS   9  -6.340   9.377   3.597
   60   2HB   LYS   9          2HB       LYS   9  -6.631   9.802   1.917
   61   1HG   LYS   9          1HG       LYS   9  -8.158  10.945   4.245
   62   2HG   LYS   9          2HG       LYS   9  -6.768  11.718   3.480
   63   1HD   LYS   9          1HD       LYS   9  -7.988  11.747   1.342
   64   2HD   LYS   9          2HD       LYS   9  -9.383  11.022   2.143
   65   1HE   LYS   9          1HE       LYS   9  -9.536  12.967   3.622
   66   2HE   LYS   9          2HE       LYS   9  -8.147  13.690   2.813
   67   1HZ   LYS   9          1HZ       LYS   9  -9.421  13.717   0.751
   68   2HZ   LYS   9          2HZ       LYS   9 -10.210  14.596   1.964
   69   3HZ   LYS   9          3HZ       LYS   9 -10.757  13.051   1.548
   70    H    TYR  10           H        TYR  10  -6.279   6.942   3.009
   71    HA   TYR  10           HA       TYR  10  -5.898   6.172   0.363
   72   1HB   TYR  10          1HB       TYR  10  -5.239   4.917   2.997
   73   2HB   TYR  10          2HB       TYR  10  -5.003   3.985   1.524
   74    HD1  TYR  10           1HD      TYR  10  -3.730   5.389  -0.395
   75    HD2  TYR  10           2HD      TYR  10  -3.412   6.073   3.793
   76    HE1  TYR  10           1HE      TYR  10  -1.547   6.466  -0.740
   77    HE2  TYR  10           2HE      TYR  10  -1.230   7.155   3.456
   78    HH   TYR  10           HH       TYR  10  -0.091   8.092   0.409
   79    H    MET  11           H        MET  11  -8.265   5.121   2.680
   80    HA   MET  11           HA       MET  11  -9.033   2.781   1.182
   81   1HB   MET  11          1HB       MET  11  -9.264   2.759   3.596
   82   2HB   MET  11          2HB       MET  11 -10.312   4.170   3.544
   83   1HG   MET  11          1HG       MET  11 -12.035   2.916   2.444
   84   2HG   MET  11          2HG       MET  11 -10.977   1.514   2.296
   85   1HE   MET  11          1HE       MET  11  -9.522   1.497   5.134
   86   2HE   MET  11          2HE       MET  11 -10.163   0.055   4.345
   87   3HE   MET  11          3HE       MET  11 -10.576   0.399   6.025
   88    H    GLU  12           H        GLU  12 -10.629   5.868   1.984
   89    HA   GLU  12           HA       GLU  12 -12.850   5.484   0.295
   90   1HB   GLU  12          1HB       GLU  12 -12.744   7.119   2.165
   91   2HB   GLU  12          2HB       GLU  12 -11.643   8.101   1.209
   92   1HG   GLU  12          1HG       GLU  12 -13.389   8.384  -0.489
   93   2HG   GLU  12          2HG       GLU  12 -14.490   7.427   0.500
   94    H    TYR  13           H        TYR  13  -9.618   6.482  -0.343
   95    HA   TYR  13           HA       TYR  13 -10.087   7.904  -2.760
   96   1HB   TYR  13          1HB       TYR  13  -8.014   8.030  -1.310
   97   2HB   TYR  13          2HB       TYR  13  -7.550   6.467  -1.970
   98    HD1  TYR  13           1HD      TYR  13  -8.161  10.012  -2.820
   99    HD2  TYR  13           2HD      TYR  13  -6.573   6.288  -4.130
  100    HE1  TYR  13           1HE      TYR  13  -7.114  11.139  -4.736
  101    HE2  TYR  13           2HE      TYR  13  -5.515   7.408  -6.047
  102    HH   TYR  13           HH       TYR  13  -5.770   9.435  -7.365
  103    H    LEU  14           H        LEU  14  -9.838   4.551  -1.942
  104    HA   LEU  14           HA       LEU  14 -10.401   3.836  -4.711
  105   1HB   LEU  14          1HB       LEU  14  -8.090   2.702  -3.138
  106   2HB   LEU  14          2HB       LEU  14  -8.703   1.999  -4.622
  107    HG   LEU  14           HG       LEU  14  -7.590   4.797  -4.428
  108   1HD1  LEU  14          1HD1      LEU  14  -5.850   3.181  -3.911
  109   2HD1  LEU  14          2HD1      LEU  14  -5.589   3.888  -5.506
  110   3HD1  LEU  14          3HD1      LEU  14  -6.253   2.261  -5.360
  111   1HD2  LEU  14          1HD2      LEU  14  -9.153   4.441  -6.272
  112   2HD2  LEU  14          2HD2      LEU  14  -8.219   3.039  -6.797
  113   3HD2  LEU  14          3HD2      LEU  14  -7.504   4.650  -6.862
  114    H    MET  15           H        MET  15 -12.095   3.838  -2.445
  115    HA   MET  15           HA       MET  15 -12.267   1.361  -1.148
  116   1HB   MET  15          1HB       MET  15 -13.467   3.121  -0.167
  117   2HB   MET  15          2HB       MET  15 -14.257   3.546  -1.679
  118   1HG   MET  15          1HG       MET  15 -15.574   1.514  -1.582
  119   2HG   MET  15          2HG       MET  15 -14.765   1.043  -0.090
  120   1HE   MET  15          1HE       MET  15 -14.537   3.690   1.547
  121   2HE   MET  15          2HE       MET  15 -15.136   2.180   2.234
  122   3HE   MET  15          3HE       MET  15 -16.043   3.676   2.464
  123    HA   PRO  16           HA       PRO  16 -15.437   0.031  -4.540
  124   1HB   PRO  16          1HB       PRO  16 -15.436   1.385  -6.887
  125   2HB   PRO  16          2HB       PRO  16 -16.468   1.836  -5.525
  126   1HG   PRO  16          1HG       PRO  16 -13.854   3.009  -6.391
  127   2HG   PRO  16          2HG       PRO  16 -15.330   3.836  -5.860
  128   1HD   PRO  16          1HD       PRO  16 -13.205   3.457  -4.227
  129   2HD   PRO  16          2HD       PRO  16 -14.876   3.483  -3.627
  130    H    ASP  17           H        ASP  17 -12.205   0.719  -4.731
  131    HA   ASP  17           HA       ASP  17 -11.783  -1.110  -6.997
  132   1HB   ASP  17          1HB       ASP  17  -9.874   0.933  -5.844
  133   2HB   ASP  17          2HB       ASP  17  -9.566  -0.098  -7.237
  134    H    ILE  18           H        ILE  18 -11.526  -0.783  -3.631
  135    HA   ILE  18           HA       ILE  18  -9.378  -2.729  -3.366
  136    HB   ILE  18           HB       ILE  18 -10.937  -1.097  -1.381
  137   1HG1  ILE  18          1HG1      ILE  18  -7.976  -1.379  -1.935
  138   2HG1  ILE  18          2HG1      ILE  18  -9.001  -0.098  -2.571
  139   1HG2  ILE  18          1HG2      ILE  18  -9.624  -2.186   0.415
  140   2HG2  ILE  18          2HG2      ILE  18  -9.059  -3.375  -0.759
  141   3HG2  ILE  18          3HG2      ILE  18 -10.774  -3.276  -0.359
  142   1HD1  ILE  18          1HD1      ILE  18  -7.721   0.684  -0.675
  143   2HD1  ILE  18          2HD1      ILE  18  -8.386  -0.606   0.329
  144   3HD1  ILE  18          3HD1      ILE  18  -9.442   0.665  -0.287
  145    H    MET  19           H        MET  19 -12.872  -2.579  -3.099
  146    HA   MET  19           HA       MET  19 -13.246  -4.962  -1.669
  147   1HB   MET  19          1HB       MET  19 -15.562  -4.913  -2.473
  148   2HB   MET  19          2HB       MET  19 -15.032  -3.359  -1.854
  149   1HG   MET  19          1HG       MET  19 -16.216  -2.786  -3.741
  150   2HG   MET  19          2HG       MET  19 -14.554  -2.790  -4.320
  151   1HE   MET  19          1HE       MET  19 -15.505  -2.859  -6.828
  152   2HE   MET  19          2HE       MET  19 -17.152  -2.885  -6.202
  153   3HE   MET  19          3HE       MET  19 -16.646  -4.075  -7.400
  154    HA   PRO  20           HA       PRO  20 -13.522  -7.142  -6.011
  155   1HB   PRO  20          1HB       PRO  20 -11.319  -5.870  -7.474
  156   2HB   PRO  20          2HB       PRO  20 -12.965  -6.207  -8.009
  157   1HG   PRO  20          1HG       PRO  20 -12.109  -3.704  -7.536
  158   2HG   PRO  20          2HG       PRO  20 -13.778  -4.208  -7.220
  159   1HD   PRO  20          1HD       PRO  20 -11.508  -3.869  -5.299
  160   2HD   PRO  20          2HD       PRO  20 -13.206  -3.391  -5.129
  161    H    CYS  21           H        CYS  21 -10.473  -5.832  -4.809
  162    HA   CYS  21           HA       CYS  21  -8.823  -8.004  -5.480
  163   1HB   CYS  21          1HB       CYS  21  -8.548  -5.996  -3.236
  164   2HB   CYS  21          2HB       CYS  21  -7.272  -7.080  -3.783
  165    H    ALA  22           H        ALA  22 -10.391  -7.217  -2.373
  166    HA   ALA  22           HA       ALA  22  -9.549  -9.444  -0.936
  167   1HB   ALA  22          1HB       ALA  22 -11.453  -9.030   0.531
  168   2HB   ALA  22          2HB       ALA  22 -12.183  -7.994  -0.696
  169   3HB   ALA  22          3HB       ALA  22 -10.671  -7.517   0.074
  170    H    ASP  23           H        ASP  23 -12.185  -9.125  -3.237
  171    HA   ASP  23           HA       ASP  23 -13.257 -11.740  -2.643
  172   1HB   ASP  23          1HB       ASP  23 -14.761  -9.958  -3.377
  173   2HB   ASP  23          2HB       ASP  23 -13.870  -9.802  -4.887
  174    H    GLU  24           H        GLU  24 -10.764 -10.467  -4.545
  175    HA   GLU  24           HA       GLU  24 -10.747 -12.162  -6.762
  176   1HB   GLU  24          1HB       GLU  24  -9.336 -10.100  -6.376
  177   2HB   GLU  24          2HB       GLU  24  -8.289 -11.100  -5.384
  178   1HG   GLU  24          1HG       GLU  24  -7.844 -12.545  -7.298
  179   2HG   GLU  24          2HG       GLU  24  -8.894 -11.542  -8.298
  180    H    LEU  25           H        LEU  25  -8.927 -12.537  -3.678
  181    HA   LEU  25           HA       LEU  25  -8.306 -15.287  -4.497
  182   1HB   LEU  25          1HB       LEU  25  -7.396 -13.826  -2.021
  183   2HB   LEU  25          2HB       LEU  25  -6.712 -15.292  -2.704
  184    HG   LEU  25           HG       LEU  25  -6.611 -12.573  -4.014
  185   1HD1  LEU  25          1HD1      LEU  25  -5.265 -12.656  -1.977
  186   2HD1  LEU  25          2HD1      LEU  25  -4.248 -12.587  -3.416
  187   3HD1  LEU  25          3HD1      LEU  25  -4.465 -14.115  -2.562
  188   1HD2  LEU  25          1HD2      LEU  25  -5.011 -13.618  -5.528
  189   2HD2  LEU  25          2HD2      LEU  25  -6.583 -14.415  -5.614
  190   3HD2  LEU  25          3HD2      LEU  25  -5.257 -15.171  -4.728
  191    H    HIS  26           H        HIS  26  -9.867 -13.544  -1.816
  192    HA   HIS  26           HA       HIS  26 -11.809 -15.472  -1.330
  193   1HB   HIS  26          1HB       HIS  26  -9.590 -16.682  -0.605
  194   2HB   HIS  26          2HB       HIS  26  -9.758 -15.697   0.842
  195    HD1  HIS  26           1HD      HIS  26 -12.339 -15.948   1.930
  196    HD2  HIS  26           2HD      HIS  26 -10.829 -19.062  -0.366
  197    HE1  HIS  26           1HE      HIS  26 -13.694 -17.969   2.565
  198    HE2  HIS  26           2HE      HIS  26 -12.706 -19.859   1.224
  199    H    ILE  27           H        ILE  27  -9.598 -13.720   0.784
  200    HA   ILE  27           HA       ILE  27 -11.789 -11.996   1.734
  201    HB   ILE  27           HB       ILE  27 -10.825 -12.204   4.030
  202   1HG1  ILE  27          1HG1      ILE  27  -9.132 -14.281   2.624
  203   2HG1  ILE  27          2HG1      ILE  27  -8.589 -12.882   3.543
  204   1HG2  ILE  27          1HG2      ILE  27 -12.793 -13.513   3.325
  205   2HG2  ILE  27          2HG2      ILE  27 -11.821 -14.365   4.524
  206   3HG2  ILE  27          3HG2      ILE  27 -11.724 -14.822   2.824
  207   1HD1  ILE  27          1HD1      ILE  27  -9.918 -15.335   4.669
  208   2HD1  ILE  27          2HD1      ILE  27  -9.438 -13.916   5.599
  209   3HD1  ILE  27          3HD1      ILE  27  -8.214 -14.901   4.798
  210    H    SER  28           H        SER  28 -10.832 -10.179   3.131
  211    HA   SER  28           HA       SER  28  -8.637  -8.966   1.673
  212   1HB   SER  28          1HB       SER  28  -9.839  -7.656   4.073
  213   2HB   SER  28          2HB       SER  28  -9.321  -6.944   2.543
  214    HG   SER  28           HG       SER  28 -11.604  -6.977   2.765
  215    H    GLU  29           H        GLU  29  -6.586  -8.923   2.356
  216    HA   GLU  29           HA       GLU  29  -5.614 -10.494   4.403
  217   1HB   GLU  29          1HB       GLU  29  -3.564  -8.928   4.248
  218   2HB   GLU  29          2HB       GLU  29  -4.032  -9.856   2.830
  219   1HG   GLU  29          1HG       GLU  29  -3.473  -7.627   2.169
  220   2HG   GLU  29          2HG       GLU  29  -5.204  -7.876   1.956
  221    H    ASP  30           H        ASP  30  -7.093  -7.408   4.619
  222    HA   ASP  30           HA       ASP  30  -5.921  -6.586   7.093
  223   1HB   ASP  30          1HB       ASP  30  -6.904  -4.956   5.548
  224   2HB   ASP  30          2HB       ASP  30  -8.486  -5.702   5.754
  225    H    ILE  31           H        ILE  31  -9.287  -7.511   6.370
  226    HA   ILE  31           HA       ILE  31  -9.910  -8.044   9.100
  227    HB   ILE  31           HB       ILE  31 -11.434  -9.058   6.697
  228   1HG1  ILE  31          1HG1      ILE  31 -11.724  -6.366   8.053
  229   2HG1  ILE  31          2HG1      ILE  31 -10.941  -6.618   6.497
  230   1HG2  ILE  31          1HG2      ILE  31 -12.180  -9.976   8.801
  231   2HG2  ILE  31          2HG2      ILE  31 -13.375  -8.820   8.214
  232   3HG2  ILE  31          3HG2      ILE  31 -12.270  -8.365   9.512
  233   1HD1  ILE  31          1HD1      ILE  31 -13.195  -5.806   6.195
  234   2HD1  ILE  31          2HD1      ILE  31 -13.831  -7.151   7.142
  235   3HD1  ILE  31          3HD1      ILE  31 -13.058  -7.455   5.587
  236    H    ALA  32           H        ALA  32  -8.075  -9.723   6.913
  237    HA   ALA  32           HA       ALA  32  -8.727 -12.368   7.060
  238   1HB   ALA  32          1HB       ALA  32  -6.369 -12.875   6.776
  239   2HB   ALA  32          2HB       ALA  32  -5.938 -11.250   7.307
  240   3HB   ALA  32          3HB       ALA  32  -6.815 -11.480   5.794
  241    H    THR  33           H        THR  33  -7.257 -10.364   9.511
  242    HA   THR  33           HA       THR  33  -8.172 -11.858  11.682
  243    HB   THR  33           HB       THR  33  -6.628 -13.595  11.239
  244    HG1  THR  33           1HG      THR  33  -5.542 -13.569  13.127
  245   1HG2  THR  33          1HG2      THR  33  -5.215 -12.517   9.605
  246   2HG2  THR  33          2HG2      THR  33  -4.206 -13.174  10.894
  247   3HG2  THR  33          3HG2      THR  33  -4.548 -11.446  10.837
  248    H    ASN  34           H        ASN  34  -8.295 -10.432  13.278
  249    HA   ASN  34           HA       ASN  34  -7.619  -7.853  13.267
  250   1HB   ASN  34          1HB       ASN  34  -7.397  -8.070  15.852
  251   2HB   ASN  34          2HB       ASN  34  -8.926  -8.465  15.075
  252   1HD2  ASN  34          1HD2      ASN  34  -9.480 -10.668  14.792
  253   2HD2  ASN  34          2HD2      ASN  34  -8.796 -11.889  15.806
  254    H    ILE  35           H        ILE  35  -5.617  -9.735  15.497
  255    HA   ILE  35           HA       ILE  35  -3.225  -8.592  14.269
  256    HB   ILE  35           HB       ILE  35  -2.342  -8.043  16.568
  257   1HG1  ILE  35          1HG1      ILE  35  -5.272  -8.138  17.323
  258   2HG1  ILE  35          2HG1      ILE  35  -4.096  -9.364  17.784
  259   1HG2  ILE  35          1HG2      ILE  35  -4.703  -6.476  15.537
  260   2HG2  ILE  35          2HG2      ILE  35  -3.027  -6.314  15.013
  261   3HG2  ILE  35          3HG2      ILE  35  -3.485  -5.866  16.656
  262   1HD1  ILE  35          1HD1      ILE  35  -4.513  -7.788  19.590
  263   2HD1  ILE  35          2HD1      ILE  35  -3.994  -6.457  18.556
  264   3HD1  ILE  35          3HD1      ILE  35  -2.840  -7.700  19.037
  265    H    GLN  36           H        GLN  36  -3.723 -11.107  13.804
  266    HA   GLN  36           HA       GLN  36  -1.921 -12.552  15.634
  267   1HB   GLN  36          1HB       GLN  36  -4.409 -13.082  15.929
  268   2HB   GLN  36          2HB       GLN  36  -4.307 -13.858  14.357
  269   1HG   GLN  36          1HG       GLN  36  -2.255 -14.690  16.281
  270   2HG   GLN  36          2HG       GLN  36  -3.908 -15.101  16.727
  271   1HE2  GLN  36          1HE2      GLN  36  -4.775 -15.344  13.950
  272   2HE2  GLN  36          2HE2      GLN  36  -4.122 -16.835  13.374
  273    H    ALA  37           H        ALA  37  -1.902 -11.324  12.746
  274    HA   ALA  37           HA       ALA  37  -1.312 -13.674  11.159
  275   1HB   ALA  37          1HB       ALA  37  -2.445 -11.734  10.166
  276   2HB   ALA  37          2HB       ALA  37  -0.953 -12.151   9.325
  277   3HB   ALA  37          3HB       ALA  37  -0.991 -10.773  10.425
  278    H    ALA  38           H        ALA  38   0.642 -10.697  11.430
  279    HA   ALA  38           HA       ALA  38   2.894 -11.776  12.649
  280   1HB   ALA  38          1HB       ALA  38   4.391 -12.195  10.738
  281   2HB   ALA  38          2HB       ALA  38   3.021 -12.003   9.645
  282   3HB   ALA  38          3HB       ALA  38   3.044 -13.332  10.803
  283    H    LYS  39           H        LYS  39   3.018 -10.114   9.523
  284    HA   LYS  39           HA       LYS  39   4.794  -8.146  10.224
  285   1HB   LYS  39          1HB       LYS  39   2.995  -8.647   8.031
  286   2HB   LYS  39          2HB       LYS  39   3.068  -6.925   8.378
  287   1HG   LYS  39          1HG       LYS  39   4.709  -7.553   6.702
  288   2HG   LYS  39          2HG       LYS  39   5.496  -6.973   8.170
  289   1HD   LYS  39          1HD       LYS  39   5.839  -9.325   8.865
  290   2HD   LYS  39          2HD       LYS  39   5.140  -9.852   7.331
  291   1HE   LYS  39          1HE       LYS  39   6.914  -8.712   6.117
  292   2HE   LYS  39          2HE       LYS  39   7.594  -8.123   7.632
  293   1HZ   LYS  39          1HZ       LYS  39   8.025 -10.404   8.290
  294   2HZ   LYS  39          2HZ       LYS  39   8.782 -10.064   6.816
  295   3HZ   LYS  39          3HZ       LYS  39   7.358 -10.977   6.844
  296    H    ASN  40           H        ASN  40   1.267  -7.610   9.985
  297    HA   ASN  40           HA       ASN  40   1.554  -5.588  12.104
  298   1HB   ASN  40          1HB       ASN  40  -0.305  -4.326  10.976
  299   2HB   ASN  40          2HB       ASN  40   1.210  -4.360  10.079
  300   1HD2  ASN  40          1HD2      ASN  40   1.359  -5.615   8.212
  301   2HD2  ASN  40          2HD2      ASN  40  -0.047  -6.163   7.371
  302    H    GLY  41           H        GLY  41   0.292  -8.497  11.325
  303   1HA   GLY  41          1HA       GLY  41  -0.985  -9.719  12.934
  304   2HA   GLY  41          2HA       GLY  41  -1.793  -8.223  13.375
  305    H    ALA  42           H        ALA  42  -1.933  -7.751  10.307
  306    HA   ALA  42           HA       ALA  42  -4.551  -8.974   9.994
  307   1HB   ALA  42          1HB       ALA  42  -4.121  -6.600   9.392
  308   2HB   ALA  42          2HB       ALA  42  -4.795  -7.556   8.075
  309   3HB   ALA  42          3HB       ALA  42  -3.076  -7.163   8.087
  310    H    ASP  43           H        ASP  43  -1.485  -8.916   8.187
  311    HA   ASP  43           HA       ASP  43  -1.502 -11.651   7.586
  312   1HB   ASP  43          1HB       ASP  43  -3.462 -10.696   6.154
  313   2HB   ASP  43          2HB       ASP  43  -2.181 -10.074   5.122
  314    H    MET  44           H        MET  44   0.018 -12.030   5.538
  315    HA   MET  44           HA       MET  44   2.011  -9.954   5.173
  316   1HB   MET  44          1HB       MET  44   3.108 -10.691   7.042
  317   2HB   MET  44          2HB       MET  44   2.418 -12.305   6.948
  318   1HG   MET  44          1HG       MET  44   3.963 -12.902   5.192
  319   2HG   MET  44          2HG       MET  44   4.608 -11.264   5.166
  320   1HE   MET  44          1HE       MET  44   6.267 -14.055   5.506
  321   2HE   MET  44          2HE       MET  44   7.471 -13.556   6.695
  322   3HE   MET  44          3HE       MET  44   7.047 -12.478   5.365
  323    H    SER  45           H        SER  45   1.661 -13.501   4.870
  324    HA   SER  45           HA       SER  45   3.066 -13.669   2.428
  325   1HB   SER  45          1HB       SER  45   1.051 -15.577   3.637
  326   2HB   SER  45          2HB       SER  45   2.120 -15.955   2.287
  327    HG   SER  45           HG       SER  45   2.639 -16.148   4.868
  328    H    GLN  46           H        GLN  46  -0.419 -13.672   3.148
  329    HA   GLN  46           HA       GLN  46  -1.054 -13.539   0.320
  330   1HB   GLN  46          1HB       GLN  46  -2.348 -14.772   2.262
  331   2HB   GLN  46          2HB       GLN  46  -3.120 -13.201   2.439
  332   1HG   GLN  46          1HG       GLN  46  -4.387 -14.715   1.000
  333   2HG   GLN  46          2HG       GLN  46  -3.871 -13.264   0.149
  334   1HE2  GLN  46          1HE2      GLN  46  -2.308 -13.427  -1.456
  335   2HE2  GLN  46          2HE2      GLN  46  -1.852 -14.939  -2.157
  336    H    LEU  47           H        LEU  47  -0.346 -11.383   2.811
  337    HA   LEU  47           HA       LEU  47  -2.043  -9.217   2.027
  338   1HB   LEU  47          1HB       LEU  47  -0.834  -9.630   4.288
  339   2HB   LEU  47          2HB       LEU  47   0.552  -8.903   3.504
  340    HG   LEU  47           HG       LEU  47  -2.073  -7.457   3.579
  341   1HD1  LEU  47          1HD1      LEU  47  -1.614  -8.070   5.882
  342   2HD1  LEU  47          2HD1      LEU  47  -1.339  -6.345   5.634
  343   3HD1  LEU  47          3HD1      LEU  47   0.031  -7.451   5.735
  344   1HD2  LEU  47          1HD2      LEU  47  -0.408  -6.536   2.115
  345   2HD2  LEU  47          2HD2      LEU  47   0.811  -6.611   3.386
  346   3HD2  LEU  47          3HD2      LEU  47  -0.549  -5.498   3.532
  347    H    GLY  48           H        GLY  48   1.273 -10.190   1.353
  348   1HA   GLY  48          1HA       GLY  48   2.031  -7.861  -0.056
  349   2HA   GLY  48          2HA       GLY  48   2.803  -9.437  -0.176
  350    H    CYS  49           H        CYS  49  -0.430  -9.816  -0.857
  351    HA   CYS  49           HA       CYS  49  -0.088  -9.247  -3.706
  352   1HB   CYS  49          1HB       CYS  49  -1.580 -11.558  -3.677
  353   2HB   CYS  49          2HB       CYS  49   0.113 -11.419  -4.136
  354    H    LEU  50           H        LEU  50  -2.514 -10.643  -1.495
  355    HA   LEU  50           HA       LEU  50  -4.793  -9.844  -2.799
  356   1HB   LEU  50          1HB       LEU  50  -4.604 -11.263  -0.713
  357   2HB   LEU  50          2HB       LEU  50  -4.444  -9.782   0.201
  358    HG   LEU  50           HG       LEU  50  -6.721 -10.798   0.256
  359   1HD1  LEU  50          1HD1      LEU  50  -6.321  -8.395   0.685
  360   2HD1  LEU  50          2HD1      LEU  50  -7.921  -8.741   0.031
  361   3HD1  LEU  50          3HD1      LEU  50  -6.669  -8.071  -1.012
  362   1HD2  LEU  50          1HD2      LEU  50  -6.748 -10.017  -2.654
  363   2HD2  LEU  50          2HD2      LEU  50  -8.162 -10.501  -1.717
  364   3HD2  LEU  50          3HD2      LEU  50  -6.853 -11.650  -1.994
  365    H    LYS  51           H        LYS  51  -2.837  -8.003  -0.489
  366    HA   LYS  51           HA       LYS  51  -4.453  -5.632  -0.859
  367   1HB   LYS  51          1HB       LYS  51  -3.514  -5.968   1.335
  368   2HB   LYS  51          2HB       LYS  51  -1.894  -6.124   0.679
  369   1HG   LYS  51          1HG       LYS  51  -1.747  -3.837   0.200
  370   2HG   LYS  51          2HG       LYS  51  -3.489  -3.605   0.366
  371   1HD   LYS  51          1HD       LYS  51  -3.389  -3.855   2.719
  372   2HD   LYS  51          2HD       LYS  51  -1.736  -4.466   2.654
  373   1HE   LYS  51          1HE       LYS  51  -2.559  -1.683   1.843
  374   2HE   LYS  51          2HE       LYS  51  -1.914  -2.107   3.428
  375   1HZ   LYS  51          1HZ       LYS  51  -0.511  -2.412   0.828
  376   2HZ   LYS  51          2HZ       LYS  51   0.108  -2.895   2.324
  377   3HZ   LYS  51          3HZ       LYS  51  -0.174  -1.256   2.017
  378    H    ALA  52           H        ALA  52  -1.702  -7.132  -2.310
  379    HA   ALA  52           HA       ALA  52  -0.519  -4.721  -3.335
  380   1HB   ALA  52          1HB       ALA  52  -0.136  -7.481  -4.465
  381   2HB   ALA  52          2HB       ALA  52   0.667  -6.939  -2.992
  382   3HB   ALA  52          3HB       ALA  52   0.974  -6.111  -4.517
  383    H    CYS  53           H        CYS  53  -3.217  -6.604  -4.107
  384    HA   CYS  53           HA       CYS  53  -3.363  -6.309  -6.902
  385   1HB   CYS  53          1HB       CYS  53  -4.848  -7.891  -6.077
  386   2HB   CYS  53          2HB       CYS  53  -5.332  -6.880  -4.720
  387    H    VAL  54           H        VAL  54  -4.242  -4.225  -4.232
  388    HA   VAL  54           HA       VAL  54  -5.745  -2.345  -5.745
  389    HB   VAL  54           HB       VAL  54  -4.230  -1.764  -3.199
  390   1HG1  VAL  54          1HG1      VAL  54  -6.054  -0.159  -2.819
  391   2HG1  VAL  54          2HG1      VAL  54  -6.735  -0.582  -4.389
  392   3HG1  VAL  54          3HG1      VAL  54  -5.153   0.192  -4.294
  393   1HG2  VAL  54          1HG2      VAL  54  -6.230  -2.468  -1.979
  394   2HG2  VAL  54          2HG2      VAL  54  -5.534  -3.805  -2.895
  395   3HG2  VAL  54          3HG2      VAL  54  -6.976  -2.981  -3.492
  396    H    MET  55           H        MET  55  -2.393  -2.957  -5.335
  397    HA   MET  55           HA       MET  55  -1.440  -0.353  -6.045
  398   1HB   MET  55          1HB       MET  55   0.031  -2.986  -6.223
  399   2HB   MET  55          2HB       MET  55   0.740  -1.381  -6.151
  400   1HG   MET  55          1HG       MET  55  -0.076  -1.099  -3.882
  401   2HG   MET  55          2HG       MET  55  -0.850  -2.682  -3.954
  402   1HE   MET  55          1HE       MET  55   1.212  -1.849  -1.598
  403   2HE   MET  55          2HE       MET  55   2.066  -3.387  -1.473
  404   3HE   MET  55          3HE       MET  55   0.322  -3.365  -1.731
  405    H    LYS  56           H        LYS  56  -1.599  -3.473  -7.750
  406    HA   LYS  56           HA       LYS  56  -0.733  -2.474 -10.245
  407   1HB   LYS  56          1HB       LYS  56  -1.861  -4.617 -11.104
  408   2HB   LYS  56          2HB       LYS  56  -0.518  -4.784  -9.981
  409   1HG   LYS  56          1HG       LYS  56  -1.913  -5.381  -8.213
  410   2HG   LYS  56          2HG       LYS  56  -3.349  -4.762  -9.024
  411   1HD   LYS  56          1HD       LYS  56  -3.570  -7.053  -9.293
  412   2HD   LYS  56          2HD       LYS  56  -2.815  -6.555 -10.808
  413   1HE   LYS  56          1HE       LYS  56  -1.701  -8.525  -9.995
  414   2HE   LYS  56          2HE       LYS  56  -0.610  -7.147  -9.851
  415   1HZ   LYS  56          1HZ       LYS  56  -0.558  -8.533  -7.874
  416   2HZ   LYS  56          2HZ       LYS  56  -2.218  -8.312  -7.643
  417   3HZ   LYS  56          3HZ       LYS  56  -1.165  -6.997  -7.507
  418    H    ARG  57           H        ARG  57  -3.670  -2.202  -8.577
  419    HA   ARG  57           HA       ARG  57  -5.453  -2.027 -10.788
  420   1HB   ARG  57          1HB       ARG  57  -6.168  -2.509  -8.461
  421   2HB   ARG  57          2HB       ARG  57  -5.736  -0.867  -8.010
  422   1HG   ARG  57          1HG       ARG  57  -8.037  -0.790  -8.304
  423   2HG   ARG  57          2HG       ARG  57  -7.398  -0.131  -9.809
  424   1HD   ARG  57          1HD       ARG  57  -8.094  -3.037  -9.506
  425   2HD   ARG  57          2HD       ARG  57  -9.296  -1.838  -9.975
  426    HE   ARG  57           HE       ARG  57  -6.835  -2.035 -11.547
  427   1HH1  ARG  57          1HH1      ARG  57 -10.267  -2.574 -11.268
  428   2HH1  ARG  57          2HH1      ARG  57 -10.497  -2.806 -12.968
  429   1HH2  ARG  57          1HH2      ARG  57  -7.132  -2.340 -13.789
  430   2HH2  ARG  57          2HH2      ARG  57  -8.719  -2.674 -14.399
  431    H    ILE  58           H        ILE  58  -3.404   0.243  -9.086
  432    HA   ILE  58           HA       ILE  58  -4.455   2.457 -10.702
  433    HB   ILE  58           HB       ILE  58  -3.167   3.931  -9.192
  434   1HG1  ILE  58          1HG1      ILE  58  -2.627   1.400  -7.623
  435   2HG1  ILE  58          2HG1      ILE  58  -1.427   2.255  -8.587
  436   1HG2  ILE  58          1HG2      ILE  58  -5.042   2.037  -7.783
  437   2HG2  ILE  58          2HG2      ILE  58  -5.515   3.435  -8.748
  438   3HG2  ILE  58          3HG2      ILE  58  -4.617   3.665  -7.248
  439   1HD1  ILE  58          1HD1      ILE  58  -2.861   3.334  -6.172
  440   2HD1  ILE  58          2HD1      ILE  58  -1.683   4.215  -7.146
  441   3HD1  ILE  58          3HD1      ILE  58  -1.187   2.784  -6.241
  442    H    GLU  59           H        GLU  59  -2.608   0.277 -11.612
  443    HA   GLU  59           HA       GLU  59  -0.829   0.040 -12.998
  444   1HB   GLU  59          1HB       GLU  59  -1.150   3.032 -13.236
  445   2HB   GLU  59          2HB       GLU  59  -0.075   2.073 -14.244
  446   1HG   GLU  59          1HG       GLU  59  -2.005   0.802 -15.065
  447   2HG   GLU  59          2HG       GLU  59  -3.070   1.801 -14.077
  448    H    MET  60           H        MET  60  -0.112  -0.112 -10.412
  449    HA   MET  60           HA       MET  60   2.434   1.374 -10.302
  450   1HB   MET  60          1HB       MET  60   0.703   1.928  -8.510
  451   2HB   MET  60          2HB       MET  60   0.964   0.300  -7.896
  452   1HG   MET  60          1HG       MET  60   3.510   1.186  -8.050
  453   2HG   MET  60          2HG       MET  60   2.658   2.691  -7.706
  454   1HE   MET  60          1HE       MET  60   4.132  -0.536  -6.307
  455   2HE   MET  60          2HE       MET  60   2.490  -1.110  -6.599
  456   3HE   MET  60          3HE       MET  60   3.087  -0.949  -4.947
  457    H    LEU  61           H        LEU  61   0.870  -1.647 -10.367
  458    HA   LEU  61           HA       LEU  61   3.428  -3.014  -9.919
  459   1HB   LEU  61          1HB       LEU  61   2.238  -3.501  -7.958
  460   2HB   LEU  61          2HB       LEU  61   0.721  -3.676  -8.810
  461    HG   LEU  61           HG       LEU  61   1.526  -5.787  -9.801
  462   1HD1  LEU  61          1HD1      LEU  61   3.568  -6.818  -8.915
  463   2HD1  LEU  61          2HD1      LEU  61   3.934  -5.325  -8.052
  464   3HD1  LEU  61          3HD1      LEU  61   3.904  -5.340  -9.815
  465   1HD2  LEU  61          1HD2      LEU  61   1.467  -7.120  -7.739
  466   2HD2  LEU  61          2HD2      LEU  61   0.231  -5.862  -7.751
  467   3HD2  LEU  61          3HD2      LEU  61   1.697  -5.649  -6.793
  468    H    LYS  62           H        LYS  62   4.006  -3.722 -11.876
  469    HA   LYS  62           HA       LYS  62   1.935  -4.800 -13.659
  470   1HB   LYS  62          1HB       LYS  62   4.751  -3.875 -14.256
  471   2HB   LYS  62          2HB       LYS  62   3.642  -4.543 -15.446
  472   1HG   LYS  62          1HG       LYS  62   2.751  -2.198 -13.854
  473   2HG   LYS  62          2HG       LYS  62   3.939  -1.947 -15.133
  474   1HD   LYS  62          1HD       LYS  62   1.856  -1.595 -16.162
  475   2HD   LYS  62          2HD       LYS  62   2.336  -3.220 -16.651
  476   1HE   LYS  62          1HE       LYS  62   0.885  -4.186 -14.963
  477   2HE   LYS  62          2HE       LYS  62   0.459  -2.578 -14.379
  478   1HZ   LYS  62          1HZ       LYS  62  -0.561  -2.106 -16.514
  479   2HZ   LYS  62          2HZ       LYS  62  -1.250  -3.491 -15.828
  480   3HZ   LYS  62          3HZ       LYS  62  -0.133  -3.640 -17.090
  481    H    GLY  63           H        GLY  63   1.868  -6.782 -12.405
  482   1HA   GLY  63          1HA       GLY  63   2.306  -9.051 -12.369
  483   2HA   GLY  63          2HA       GLY  63   3.615  -8.777 -13.508
  484    H    THR  64           H        THR  64   5.566  -7.671 -12.551
  485    HA   THR  64           HA       THR  64   6.001  -8.381  -9.750
  486    HB   THR  64           HB       THR  64   8.192  -9.349 -10.251
  487    HG1  THR  64           1HG      THR  64   8.244  -8.114 -12.378
  488   1HG2  THR  64          1HG2      THR  64   7.451 -11.436 -11.291
  489   2HG2  THR  64          2HG2      THR  64   5.989 -10.637 -11.871
  490   3HG2  THR  64          3HG2      THR  64   6.252 -10.848 -10.138
  491    H    GLU  65           H        GLU  65   5.831  -5.985 -11.791
  492    HA   GLU  65           HA       GLU  65   8.332  -4.636 -11.132
  493   1HB   GLU  65          1HB       GLU  65   6.036  -3.633 -12.809
  494   2HB   GLU  65          2HB       GLU  65   7.660  -2.974 -12.736
  495   1HG   GLU  65          1HG       GLU  65   6.912  -5.679 -13.819
  496   2HG   GLU  65          2HG       GLU  65   7.301  -4.249 -14.776
  497    H    LEU  66           H        LEU  66   8.278  -3.862  -9.086
  498    HA   LEU  66           HA       LEU  66   5.871  -2.648  -8.039
  499   1HB   LEU  66          1HB       LEU  66   6.775  -3.695  -6.267
  500   2HB   LEU  66          2HB       LEU  66   8.371  -3.737  -6.985
  501    HG   LEU  66           HG       LEU  66   8.722  -1.400  -6.260
  502   1HD1  LEU  66          1HD1      LEU  66   6.332  -0.755  -6.152
  503   2HD1  LEU  66          2HD1      LEU  66   7.207  -0.379  -4.668
  504   3HD1  LEU  66          3HD1      LEU  66   6.145  -1.787  -4.734
  505   1HD2  LEU  66          1HD2      LEU  66   9.557  -3.238  -4.922
  506   2HD2  LEU  66          2HD2      LEU  66   8.008  -3.365  -4.090
  507   3HD2  LEU  66          3HD2      LEU  66   9.007  -1.927  -3.880
  508    H    TYR  67           H        TYR  67   5.411  -0.613  -8.489
  509    HA   TYR  67           HA       TYR  67   7.606   1.286  -8.981
  510   1HB   TYR  67          1HB       TYR  67   4.745   1.262  -9.946
  511   2HB   TYR  67          2HB       TYR  67   5.811   2.650 -10.133
  512    HD1  TYR  67           1HD      TYR  67   4.726  -0.427 -11.557
  513    HD2  TYR  67           2HD      TYR  67   8.015   2.266 -11.412
  514    HE1  TYR  67           1HE      TYR  67   5.591  -1.379 -13.654
  515    HE2  TYR  67           2HE      TYR  67   8.888   1.323 -13.507
  516    HH   TYR  67           HH       TYR  67   8.722  -0.771 -14.794
  517    H    VAL  68           H        VAL  68   6.236   3.655  -8.728
  518    HA   VAL  68           HA       VAL  68   4.825   3.793  -6.238
  519    HB   VAL  68           HB       VAL  68   7.175   3.471  -5.475
  520   1HG1  VAL  68          1HG1      VAL  68   8.323   4.606  -7.290
  521   2HG1  VAL  68          2HG1      VAL  68   8.767   5.316  -5.737
  522   3HG1  VAL  68          3HG1      VAL  68   7.623   6.147  -6.792
  523   1HG2  VAL  68          1HG2      VAL  68   7.158   5.294  -3.850
  524   2HG2  VAL  68          2HG2      VAL  68   5.541   4.626  -4.071
  525   3HG2  VAL  68          3HG2      VAL  68   5.972   6.161  -4.825
  526    H    GLU  69           H        GLU  69   5.992   5.148  -9.128
  527    HA   GLU  69           HA       GLU  69   5.718   7.875  -8.764
  528   1HB   GLU  69          1HB       GLU  69   5.043   6.255 -11.227
  529   2HB   GLU  69          2HB       GLU  69   5.257   8.000 -11.195
  530   1HG   GLU  69          1HG       GLU  69   7.571   7.737 -10.545
  531   2HG   GLU  69          2HG       GLU  69   7.371   5.988 -10.458
  532    HA   PRO  70           HA       PRO  70   0.980   7.487 -10.038
  533   1HB   PRO  70          1HB       PRO  70  -0.077   5.079  -9.108
  534   2HB   PRO  70          2HB       PRO  70   0.257   5.472 -10.796
  535   1HG   PRO  70          1HG       PRO  70   1.885   3.899  -8.857
  536   2HG   PRO  70          2HG       PRO  70   1.649   3.645 -10.595
  537   1HD   PRO  70          1HD       PRO  70   3.912   4.709  -9.635
  538   2HD   PRO  70          2HD       PRO  70   3.207   5.263 -11.170
  539    H    VAL  71           H        VAL  71   2.437   5.950  -7.242
  540    HA   VAL  71           HA       VAL  71   0.357   6.636  -5.408
  541    HB   VAL  71           HB       VAL  71   3.240   6.046  -4.730
  542   1HG1  VAL  71          1HG1      VAL  71   0.698   5.675  -3.150
  543   2HG1  VAL  71          2HG1      VAL  71   1.883   6.958  -2.908
  544   3HG1  VAL  71          3HG1      VAL  71   2.328   5.278  -2.607
  545   1HG2  VAL  71          1HG2      VAL  71   2.543   3.695  -4.494
  546   2HG2  VAL  71          2HG2      VAL  71   2.419   4.270  -6.156
  547   3HG2  VAL  71          3HG2      VAL  71   0.968   4.112  -5.167
  548    H    TYR  72           H        TYR  72   3.415   8.087  -6.380
  549    HA   TYR  72           HA       TYR  72   3.562  10.120  -4.487
  550   1HB   TYR  72          1HB       TYR  72   4.498   9.968  -7.351
  551   2HB   TYR  72          2HB       TYR  72   4.833  11.352  -6.329
  552    HD1  TYR  72           1HD      TYR  72   6.930   9.598  -7.655
  553    HD2  TYR  72           2HD      TYR  72   5.105   9.417  -3.813
  554    HE1  TYR  72           1HE      TYR  72   8.913   8.446  -6.773
  555    HE2  TYR  72           2HE      TYR  72   7.086   8.268  -2.922
  556    HH   TYR  72           HH       TYR  72   8.953   6.880  -3.783
  557    H    LYS  73           H        LYS  73   1.438   9.681  -7.141
  558    HA   LYS  73           HA       LYS  73   0.691  12.464  -7.334
  559   1HB   LYS  73          1HB       LYS  73  -0.197   9.951  -8.717
  560   2HB   LYS  73          2HB       LYS  73  -1.087  11.457  -8.907
  561   1HG   LYS  73          1HG       LYS  73   1.109  12.502  -9.614
  562   2HG   LYS  73          2HG       LYS  73   1.745  10.859  -9.699
  563   1HD   LYS  73          1HD       LYS  73   1.018  11.533 -11.892
  564   2HD   LYS  73          2HD       LYS  73  -0.075  10.289 -11.284
  565   1HE   LYS  73          1HE       LYS  73  -1.727  11.940 -10.719
  566   2HE   LYS  73          2HE       LYS  73  -0.617  13.249 -11.122
  567   1HZ   LYS  73          1HZ       LYS  73  -1.727  11.260 -13.029
  568   2HZ   LYS  73          2HZ       LYS  73  -0.638  12.491 -13.426
  569   3HZ   LYS  73          3HZ       LYS  73  -2.197  12.880 -12.899
  570    H    MET  74           H        MET  74  -0.654   9.507  -5.908
  571    HA   MET  74           HA       MET  74  -3.131  10.823  -5.264
  572   1HB   MET  74          1HB       MET  74  -3.513   8.670  -3.919
  573   2HB   MET  74          2HB       MET  74  -3.436   8.547  -5.671
  574   1HG   MET  74          1HG       MET  74  -1.118   7.806  -5.513
  575   2HG   MET  74          2HG       MET  74  -1.208   7.914  -3.759
  576   1HE   MET  74          1HE       MET  74  -2.782   6.373  -2.264
  577   2HE   MET  74          2HE       MET  74  -3.857   5.142  -2.924
  578   3HE   MET  74          3HE       MET  74  -4.183   6.848  -3.223
  579    H    ILE  75           H        ILE  75  -0.078  10.168  -3.686
  580    HA   ILE  75           HA       ILE  75  -0.862  10.574  -1.025
  581    HB   ILE  75           HB       ILE  75   1.771  11.217  -2.372
  582   1HG1  ILE  75          1HG1      ILE  75   1.035   8.891  -0.585
  583   2HG1  ILE  75          2HG1      ILE  75   1.006   8.817  -2.343
  584   1HG2  ILE  75          1HG2      ILE  75   0.845  11.640   0.383
  585   2HG2  ILE  75          2HG2      ILE  75   2.163  12.403  -0.504
  586   3HG2  ILE  75          3HG2      ILE  75   2.397  10.821   0.233
  587   1HD1  ILE  75          1HD1      ILE  75   3.420   9.350  -0.630
  588   2HD1  ILE  75          2HD1      ILE  75   3.402   9.314  -2.393
  589   3HD1  ILE  75          3HD1      ILE  75   3.044   7.850  -1.478
  590    H    GLU  76           H        GLU  76  -0.538  12.694  -3.701
  591    HA   GLU  76           HA       GLU  76  -0.104  15.138  -2.402
  592   1HB   GLU  76          1HB       GLU  76  -1.715  14.682  -4.915
  593   2HB   GLU  76          2HB       GLU  76  -0.946  16.185  -4.418
  594   1HG   GLU  76          1HG       GLU  76   1.245  15.025  -4.544
  595   2HG   GLU  76          2HG       GLU  76   0.411  13.629  -5.208
  596    H    VAL  77           H        VAL  77  -3.192  13.686  -3.472
  597    HA   VAL  77           HA       VAL  77  -4.698  15.658  -1.960
  598    HB   VAL  77           HB       VAL  77  -5.726  13.289  -3.527
  599   1HG1  VAL  77          1HG1      VAL  77  -7.110  15.775  -2.525
  600   2HG1  VAL  77          2HG1      VAL  77  -7.331  14.136  -1.913
  601   3HG1  VAL  77          3HG1      VAL  77  -7.840  14.541  -3.552
  602   1HG2  VAL  77          1HG2      VAL  77  -5.412  16.159  -4.401
  603   2HG2  VAL  77          2HG2      VAL  77  -6.144  14.859  -5.341
  604   3HG2  VAL  77          3HG2      VAL  77  -4.426  14.801  -4.948
  605    H    VAL  78           H        VAL  78  -4.187  12.157  -1.946
  606    HA   VAL  78           HA       VAL  78  -5.864  11.356   0.060
  607    HB   VAL  78           HB       VAL  78  -3.163  10.365  -0.813
  608   1HG1  VAL  78          1HG1      VAL  78  -3.215   9.910   1.584
  609   2HG1  VAL  78          2HG1      VAL  78  -3.429   8.418   0.674
  610   3HG1  VAL  78          3HG1      VAL  78  -4.817   9.192   1.432
  611   1HG2  VAL  78          1HG2      VAL  78  -5.067   9.923  -2.239
  612   2HG2  VAL  78          2HG2      VAL  78  -5.946   9.209  -0.888
  613   3HG2  VAL  78          3HG2      VAL  78  -4.495   8.422  -1.510
  614    H    HIS  79           H        HIS  79  -2.944  13.214   0.353
  615    HA   HIS  79           HA       HIS  79  -3.253  13.195   3.281
  616   1HB   HIS  79          1HB       HIS  79  -0.760  13.453   1.600
  617   2HB   HIS  79          2HB       HIS  79  -0.804  13.894   3.303
  618    HD1  HIS  79           1HD      HIS  79  -0.925  11.982   5.021
  619    HD2  HIS  79           2HD      HIS  79  -0.836  10.699   1.071
  620    HE1  HIS  79           1HE      HIS  79  -0.472   9.511   5.128
  621    HE2  HIS  79           2HE      HIS  79  -0.301   8.783   2.722
  622    H    ALA  80           H        ALA  80  -4.900  14.864   2.124
  623    HA   ALA  80           HA       ALA  80  -3.843  17.415   1.458
  624   1HB   ALA  80          1HB       ALA  80  -6.147  18.193   1.584
  625   2HB   ALA  80          2HB       ALA  80  -6.624  16.690   2.374
  626   3HB   ALA  80          3HB       ALA  80  -6.051  16.667   0.706
  627    H    GLY  81           H        GLY  81  -3.420  19.170   2.680
  628   1HA   GLY  81          1HA       GLY  81  -4.288  20.209   4.917
  629   2HA   GLY  81          2HA       GLY  81  -3.486  18.795   5.587
  630    H    ASN  82           H        ASN  82  -1.158  18.526   4.927
  631    HA   ASN  82           HA       ASN  82   0.152  21.164   4.921
  632   1HB   ASN  82          1HB       ASN  82   1.066  18.528   6.079
  633   2HB   ASN  82          2HB       ASN  82   2.078  19.964   5.990
  634   1HD2  ASN  82          1HD2      ASN  82   1.651  21.703   7.327
  635   2HD2  ASN  82          2HD2      ASN  82   0.602  21.584   8.694
  636    H    ALA  83           H        ALA  83   2.156  21.373   3.774
  637    HA   ALA  83           HA       ALA  83   2.091  19.998   1.239
  638   1HB   ALA  83          1HB       ALA  83   2.510  22.407   1.351
  639   2HB   ALA  83          2HB       ALA  83   3.842  21.549   0.575
  640   3HB   ALA  83          3HB       ALA  83   4.002  22.103   2.242
  641    H    ASP  84           H        ASP  84   4.205  20.065   4.075
  642    HA   ASP  84           HA       ASP  84   6.179  18.399   2.813
  643   1HB   ASP  84          1HB       ASP  84   5.907  19.099   5.739
  644   2HB   ASP  84          2HB       ASP  84   7.314  18.389   4.948
  645    H    ASP  85           H        ASP  85   3.367  17.912   4.838
  646    HA   ASP  85           HA       ASP  85   3.905  15.342   5.785
  647   1HB   ASP  85          1HB       ASP  85   1.427  16.894   5.230
  648   2HB   ASP  85          2HB       ASP  85   1.255  15.150   5.412
  649    H    ILE  86           H        ILE  86   2.904  16.502   2.666
  650    HA   ILE  86           HA       ILE  86   2.405  13.908   1.545
  651    HB   ILE  86           HB       ILE  86   2.849  16.593   0.214
  652   1HG1  ILE  86          1HG1      ILE  86   0.261  15.095   0.654
  653   2HG1  ILE  86          2HG1      ILE  86   0.843  16.364   1.727
  654   1HG2  ILE  86          1HG2      ILE  86   1.902  15.586  -1.789
  655   2HG2  ILE  86          2HG2      ILE  86   1.764  14.035  -0.962
  656   3HG2  ILE  86          3HG2      ILE  86   3.356  14.723  -1.288
  657   1HD1  ILE  86          1HD1      ILE  86   0.213  16.700  -1.196
  658   2HD1  ILE  86          2HD1      ILE  86   0.741  17.968  -0.090
  659   3HD1  ILE  86          3HD1      ILE  86  -0.822  17.186   0.147
  660    H    GLN  87           H        GLN  87   5.051  16.162   1.830
  661    HA   GLN  87           HA       GLN  87   6.793  14.852  -0.014
  662   1HB   GLN  87          1HB       GLN  87   7.410  16.837   2.177
  663   2HB   GLN  87          2HB       GLN  87   8.521  16.344   0.905
  664   1HG   GLN  87          1HG       GLN  87   5.872  17.652   0.373
  665   2HG   GLN  87          2HG       GLN  87   7.378  18.545   0.553
  666   1HE2  GLN  87          1HE2      GLN  87   8.944  16.440  -0.738
  667   2HE2  GLN  87          2HE2      GLN  87   8.605  16.561  -2.427
  668    H    LEU  88           H        LEU  88   5.896  14.334   3.245
  669    HA   LEU  88           HA       LEU  88   8.296  12.998   4.066
  670   1HB   LEU  88          1HB       LEU  88   6.711  14.102   5.640
  671   2HB   LEU  88          2HB       LEU  88   5.535  12.854   5.279
  672    HG   LEU  88           HG       LEU  88   7.104  11.158   6.183
  673   1HD1  LEU  88          1HD1      LEU  88   9.001  11.954   7.551
  674   2HD1  LEU  88          2HD1      LEU  88   8.733  13.583   6.929
  675   3HD1  LEU  88          3HD1      LEU  88   9.204  12.285   5.831
  676   1HD2  LEU  88          1HD2      LEU  88   6.775  11.743   8.530
  677   2HD2  LEU  88          2HD2      LEU  88   5.335  12.100   7.578
  678   3HD2  LEU  88          3HD2      LEU  88   6.412  13.406   8.072
  679    H    VAL  89           H        VAL  89   4.993  11.860   3.334
  680    HA   VAL  89           HA       VAL  89   5.490   9.128   3.468
  681    HB   VAL  89           HB       VAL  89   3.571  10.471   1.559
  682   1HG1  VAL  89          1HG1      VAL  89   2.277   8.399   1.790
  683   2HG1  VAL  89          2HG1      VAL  89   3.549   7.726   2.811
  684   3HG1  VAL  89          3HG1      VAL  89   3.880   8.098   1.120
  685   1HG2  VAL  89          1HG2      VAL  89   3.263  11.318   3.831
  686   2HG2  VAL  89          2HG2      VAL  89   3.137   9.665   4.435
  687   3HG2  VAL  89          3HG2      VAL  89   1.908  10.300   3.340
  688    H    LYS  90           H        LYS  90   6.216  11.444   0.986
  689    HA   LYS  90           HA       LYS  90   6.610   9.780  -1.215
  690   1HB   LYS  90          1HB       LYS  90   7.256  12.487  -0.445
  691   2HB   LYS  90          2HB       LYS  90   8.582  11.776  -1.352
  692   1HG   LYS  90          1HG       LYS  90   7.059  12.969  -2.816
  693   2HG   LYS  90          2HG       LYS  90   7.040  11.246  -3.176
  694   1HD   LYS  90          1HD       LYS  90   4.970  10.971  -1.980
  695   2HD   LYS  90          2HD       LYS  90   5.001  12.656  -1.466
  696   1HE   LYS  90          1HE       LYS  90   5.047  11.906  -4.362
  697   2HE   LYS  90          2HE       LYS  90   3.538  12.034  -3.468
  698   1HZ   LYS  90          1HZ       LYS  90   4.091  14.323  -2.928
  699   2HZ   LYS  90          2HZ       LYS  90   4.076  14.098  -4.605
  700   3HZ   LYS  90          3HZ       LYS  90   5.548  14.195  -3.780
  701    H    GLY  91           H        GLY  91   8.926  10.838   1.270
  702   1HA   GLY  91          1HA       GLY  91  11.076   9.266   0.233
  703   2HA   GLY  91          2HA       GLY  91  11.033  10.066   1.798
  704    H    ILE  92           H        ILE  92   8.482   8.672   2.472
  705    HA   ILE  92           HA       ILE  92   9.562   6.499   3.879
  706    HB   ILE  92           HB       ILE  92   6.709   7.150   3.198
  707   1HG1  ILE  92          1HG1      ILE  92   8.319   7.526   5.672
  708   2HG1  ILE  92          2HG1      ILE  92   7.809   8.798   4.587
  709   1HG2  ILE  92          1HG2      ILE  92   6.098   5.577   5.009
  710   2HG2  ILE  92          2HG2      ILE  92   7.780   5.049   5.052
  711   3HG2  ILE  92          3HG2      ILE  92   6.811   4.789   3.602
  712   1HD1  ILE  92          1HD1      ILE  92   6.065   7.094   6.344
  713   2HD1  ILE  92          2HD1      ILE  92   5.461   8.247   5.153
  714   3HD1  ILE  92          3HD1      ILE  92   6.413   8.813   6.527
  715    H    ALA  93           H        ALA  93   7.668   6.623   0.880
  716    HA   ALA  93           HA       ALA  93   7.421   3.863   0.476
  717   1HB   ALA  93          1HB       ALA  93   7.573   6.042  -1.605
  718   2HB   ALA  93          2HB       ALA  93   6.116   5.521  -0.759
  719   3HB   ALA  93          3HB       ALA  93   6.945   4.412  -1.850
  720    H    ASN  94           H        ASN  94  10.062   6.059  -0.147
  721    HA   ASN  94           HA       ASN  94  11.544   4.522  -1.955
  722   1HB   ASN  94          1HB       ASN  94  11.979   6.921  -1.312
  723   2HB   ASN  94          2HB       ASN  94  12.691   6.324   0.183
  724   1HD2  ASN  94          1HD2      ASN  94  13.912   7.851  -1.964
  725   2HD2  ASN  94          2HD2      ASN  94  15.241   6.906  -2.535
  726    H    GLU  95           H        GLU  95  11.518   4.530   1.588
  727    HA   GLU  95           HA       GLU  95  13.634   2.690   1.926
  728   1HB   GLU  95          1HB       GLU  95  12.705   4.207   3.700
  729   2HB   GLU  95          2HB       GLU  95  11.309   3.143   3.806
  730   1HG   GLU  95          1HG       GLU  95  12.854   2.631   5.570
  731   2HG   GLU  95          2HG       GLU  95  12.801   1.290   4.427
  732    H    CYS  96           H        CYS  96  10.266   2.308   1.196
  733    HA   CYS  96           HA       CYS  96  10.163  -0.487   1.891
  734   1HB   CYS  96          1HB       CYS  96   8.223   1.149   0.244
  735   2HB   CYS  96          2HB       CYS  96   7.915  -0.428   0.964
  736    H    ILE  97           H        ILE  97  10.862   1.415  -0.951
  737    HA   ILE  97           HA       ILE  97  10.595  -0.764  -2.803
  738    HB   ILE  97           HB       ILE  97  11.950   1.917  -3.131
  739   1HG1  ILE  97          1HG1      ILE  97   9.264   0.912  -4.089
  740   2HG1  ILE  97          2HG1      ILE  97   9.510   2.013  -2.740
  741   1HG2  ILE  97          1HG2      ILE  97  11.255  -0.160  -5.205
  742   2HG2  ILE  97          2HG2      ILE  97  12.880   0.268  -4.668
  743   3HG2  ILE  97          3HG2      ILE  97  11.897   1.449  -5.535
  744   1HD1  ILE  97          1HD1      ILE  97  10.123   2.546  -5.635
  745   2HD1  ILE  97          2HD1      ILE  97  10.502   3.642  -4.306
  746   3HD1  ILE  97          3HD1      ILE  97   8.823   3.247  -4.674
  747    H    GLU  98           H        GLU  98  13.294   0.880  -1.195
  748    HA   GLU  98           HA       GLU  98  15.342  -0.628  -2.441
  749   1HB   GLU  98          1HB       GLU  98  15.359   0.817   0.217
  750   2HB   GLU  98          2HB       GLU  98  16.784   0.226  -0.626
  751   1HG   GLU  98          1HG       GLU  98  16.304   1.739  -2.488
  752   2HG   GLU  98          2HG       GLU  98  14.887   2.337  -1.627
  753    H    ASN  99           H        ASN  99  13.056  -1.409  -0.080
  754    HA   ASN  99           HA       ASN  99  14.671  -3.530   1.104
  755   1HB   ASN  99          1HB       ASN  99  13.433  -2.398   2.748
  756   2HB   ASN  99          2HB       ASN  99  11.985  -2.340   1.749
  757   1HD2  ASN  99          1HD2      ASN  99  10.690  -4.150   1.573
  758   2HD2  ASN  99          2HD2      ASN  99  10.804  -5.475   2.672
  759    H    ALA 100           H        ALA 100  11.694  -3.124  -0.788
  760    HA   ALA 100           HA       ALA 100  11.262  -5.956  -1.030
  761   1HB   ALA 100          1HB       ALA 100   9.370  -4.427  -1.051
  762   2HB   ALA 100          2HB       ALA 100   9.451  -5.327  -2.566
  763   3HB   ALA 100          3HB       ALA 100   9.994  -3.651  -2.506
  764    H    LYS 101           H        LYS 101  13.074  -3.593  -2.620
  765    HA   LYS 101           HA       LYS 101  14.115  -3.427  -4.653
  766   1HB   LYS 101          1HB       LYS 101  15.880  -5.116  -4.837
  767   2HB   LYS 101          2HB       LYS 101  15.700  -4.513  -3.193
  768   1HG   LYS 101          1HG       LYS 101  14.000  -6.738  -3.515
  769   2HG   LYS 101          2HG       LYS 101  15.593  -7.174  -4.114
  770   1HD   LYS 101          1HD       LYS 101  16.618  -6.674  -2.043
  771   2HD   LYS 101          2HD       LYS 101  15.176  -5.843  -1.453
  772   1HE   LYS 101          1HE       LYS 101  13.972  -7.894  -1.288
  773   2HE   LYS 101          2HE       LYS 101  15.245  -8.779  -2.125
  774   1HZ   LYS 101          1HZ       LYS 101  15.487  -7.497   0.545
  775   2HZ   LYS 101          2HZ       LYS 101  16.720  -8.334  -0.255
  776   3HZ   LYS 101          3HZ       LYS 101  15.333  -9.158   0.255
  777    H    GLY 102           H        GLY 102  11.471  -4.487  -5.076
  778   1HA   GLY 102          1HA       GLY 102  10.239  -5.522  -6.716
  779   2HA   GLY 102          2HA       GLY 102  11.637  -5.243  -7.742
  780    H    GLU 103           H        GLU 103  10.555  -7.445  -5.158
  781    HA   GLU 103           HA       GLU 103  12.304  -9.540  -5.772
  782   1HB   GLU 103          1HB       GLU 103   9.669  -9.396  -4.350
  783   2HB   GLU 103          2HB       GLU 103  10.433 -10.951  -4.639
  784   1HG   GLU 103          1HG       GLU 103  11.685  -8.645  -3.168
  785   2HG   GLU 103          2HG       GLU 103  10.926 -10.047  -2.416
  786    H    THR 104           H        THR 104  11.326 -11.806  -6.390
  787    HA   THR 104           HA       THR 104  10.386 -11.500  -9.111
  788    HB   THR 104           HB       THR 104  10.721 -13.937  -9.289
  789    HG1  THR 104           1HG      THR 104  10.255 -14.591  -7.184
  790   1HG2  THR 104          1HG2      THR 104  12.606 -12.442  -9.716
  791   2HG2  THR 104          2HG2      THR 104  13.154 -13.947  -8.980
  792   3HG2  THR 104          3HG2      THR 104  13.035 -12.482  -8.005
  793    H    ASP 105           H        ASP 105   9.281 -13.138  -6.154
  794    HA   ASP 105           HA       ASP 105   6.806 -13.939  -7.364
  795   1HB   ASP 105          1HB       ASP 105   7.822 -15.303  -5.607
  796   2HB   ASP 105          2HB       ASP 105   7.676 -13.970  -4.468
  797    H    GLU 106           H        GLU 106   4.797 -13.047  -7.140
  798    HA   GLU 106           HA       GLU 106   4.571 -10.288  -6.802
  799   1HB   GLU 106          1HB       GLU 106   2.958 -11.687  -8.053
  800   2HB   GLU 106          2HB       GLU 106   2.386 -12.362  -6.534
  801   1HG   GLU 106          1HG       GLU 106   1.619 -10.166  -5.827
  802   2HG   GLU 106          2HG       GLU 106   2.223  -9.462  -7.326
  803    H    CYS 107           H        CYS 107   3.254 -12.804  -4.639
  804    HA   CYS 107           HA       CYS 107   2.509 -11.144  -2.555
  805   1HB   CYS 107          1HB       CYS 107   3.469 -14.008  -2.473
  806   2HB   CYS 107          2HB       CYS 107   2.701 -13.184  -1.120
  807    H    ASN 108           H        ASN 108   5.678 -12.281  -3.432
  808    HA   ASN 108           HA       ASN 108   6.925 -11.737  -0.923
  809   1HB   ASN 108          1HB       ASN 108   7.806 -13.277  -2.749
  810   2HB   ASN 108          2HB       ASN 108   8.303 -11.821  -3.607
  811   1HD2  ASN 108          1HD2      ASN 108   9.938 -13.970  -2.568
  812   2HD2  ASN 108          2HD2      ASN 108  11.042 -13.250  -1.452
  813    H    ILE 109           H        ILE 109   6.626  -9.961  -3.979
  814    HA   ILE 109           HA       ILE 109   8.209  -7.749  -3.300
  815    HB   ILE 109           HB       ILE 109   5.796  -7.867  -5.117
  816   1HG1  ILE 109          1HG1      ILE 109   8.733  -7.888  -5.826
  817   2HG1  ILE 109          2HG1      ILE 109   7.742  -9.334  -5.717
  818   1HG2  ILE 109          1HG2      ILE 109   6.694  -5.800  -6.118
  819   2HG2  ILE 109          2HG2      ILE 109   7.908  -5.735  -4.841
  820   3HG2  ILE 109          3HG2      ILE 109   6.198  -5.584  -4.440
  821   1HD1  ILE 109          1HD1      ILE 109   7.336  -7.042  -7.618
  822   2HD1  ILE 109          2HD1      ILE 109   6.304  -8.467  -7.496
  823   3HD1  ILE 109          3HD1      ILE 109   7.980  -8.635  -8.015
  824    H    GLY 110           H        GLY 110   4.723  -8.299  -2.952
  825   1HA   GLY 110          1HA       GLY 110   4.149  -5.765  -1.823
  826   2HA   GLY 110          2HA       GLY 110   3.110  -7.178  -1.775
  827    H    ASN 111           H        ASN 111   4.807  -8.930  -0.334
  828    HA   ASN 111           HA       ASN 111   4.167  -8.238   2.295
  829   1HB   ASN 111          1HB       ASN 111   4.528 -10.539   1.788
  830   2HB   ASN 111          2HB       ASN 111   6.155 -10.225   1.193
  831   1HD2  ASN 111          1HD2      ASN 111   4.801  -8.817   4.109
  832   2HD2  ASN 111          2HD2      ASN 111   5.829  -9.658   5.212
  833    H    LYS 112           H        LYS 112   7.110  -7.737   0.445
  834    HA   LYS 112           HA       LYS 112   8.606  -6.743   2.687
  835   1HB   LYS 112          1HB       LYS 112   9.126  -6.663  -0.288
  836   2HB   LYS 112          2HB       LYS 112  10.263  -6.093   0.922
  837   1HG   LYS 112          1HG       LYS 112   9.226  -8.914   0.785
  838   2HG   LYS 112          2HG       LYS 112  10.734  -8.372   0.048
  839   1HD   LYS 112          1HD       LYS 112  11.628  -9.018   2.015
  840   2HD   LYS 112          2HD       LYS 112  11.052  -7.443   2.566
  841   1HE   LYS 112          1HE       LYS 112   8.993  -8.475   3.378
  842   2HE   LYS 112          2HE       LYS 112   9.547 -10.046   2.804
  843   1HZ   LYS 112          1HZ       LYS 112   9.954  -9.840   5.150
  844   2HZ   LYS 112          2HZ       LYS 112  10.815  -8.403   4.927
  845   3HZ   LYS 112          3HZ       LYS 112  11.438  -9.859   4.336
  846    H    TYR 113           H        TYR 113   6.772  -5.366   0.020
  847    HA   TYR 113           HA       TYR 113   7.548  -2.663   0.545
  848   1HB   TYR 113          1HB       TYR 113   6.777  -3.584  -1.685
  849   2HB   TYR 113          2HB       TYR 113   5.143  -3.581  -1.029
  850    HD1  TYR 113           1HD      TYR 113   3.845  -1.624  -1.076
  851    HD2  TYR 113           2HD      TYR 113   8.031  -1.376  -1.783
  852    HE1  TYR 113           1HE      TYR 113   3.587   0.729  -1.740
  853    HE2  TYR 113           2HE      TYR 113   7.786   0.977  -2.450
  854    HH   TYR 113           HH       TYR 113   4.972   2.769  -1.876
  855    H    THR 114           H        THR 114   5.024  -4.764   1.695
  856    HA   THR 114           HA       THR 114   3.387  -2.619   2.696
  857    HB   THR 114           HB       THR 114   2.334  -4.744   2.025
  858    HG1  THR 114           1HG      THR 114   1.000  -3.858   3.442
  859   1HG2  THR 114          1HG2      THR 114   3.614  -5.943   4.483
  860   2HG2  THR 114          2HG2      THR 114   4.200  -6.213   2.843
  861   3HG2  THR 114          3HG2      THR 114   2.587  -6.755   3.302
  862    H    ASP 115           H        ASP 115   5.525  -5.083   4.090
  863    HA   ASP 115           HA       ASP 115   5.372  -4.573   6.759
  864   1HB   ASP 115          1HB       ASP 115   6.814  -6.306   5.812
  865   2HB   ASP 115          2HB       ASP 115   7.888  -5.072   5.150
  866    H    CYS 116           H        CYS 116   7.736  -2.997   4.608
  867    HA   CYS 116           HA       CYS 116   8.743  -1.166   6.429
  868   1HB   CYS 116          1HB       CYS 116  10.014  -1.270   4.519
  869   2HB   CYS 116          2HB       CYS 116   8.610  -1.310   3.457
  870    H    TYR 117           H        TYR 117   5.935  -0.866   4.299
  871    HA   TYR 117           HA       TYR 117   5.430   1.854   4.722
  872   1HB   TYR 117          1HB       TYR 117   4.332  -0.027   3.137
  873   2HB   TYR 117          2HB       TYR 117   3.090   0.064   4.380
  874    HD1  TYR 117           1HD      TYR 117   1.296   1.213   3.464
  875    HD2  TYR 117           2HD      TYR 117   5.227   2.726   2.859
  876    HE1  TYR 117           1HE      TYR 117   0.357   3.207   2.375
  877    HE2  TYR 117           2HE      TYR 117   4.298   4.724   1.773
  878    HH   TYR 117           HH       TYR 117   1.028   5.552   1.933
  879    H    ILE 118           H        ILE 118   4.801  -0.920   6.715
  880    HA   ILE 118           HA       ILE 118   2.951   0.475   8.460
  881    HB   ILE 118           HB       ILE 118   4.291  -2.200   8.871
  882   1HG1  ILE 118          1HG1      ILE 118   2.949  -2.177   6.813
  883   2HG1  ILE 118          2HG1      ILE 118   2.203  -3.187   8.045
  884   1HG2  ILE 118          1HG2      ILE 118   2.457  -2.603  10.452
  885   2HG2  ILE 118          2HG2      ILE 118   1.879  -0.960  10.185
  886   3HG2  ILE 118          3HG2      ILE 118   3.453  -1.229  10.931
  887   1HD1  ILE 118          1HD1      ILE 118   1.379  -0.383   7.320
  888   2HD1  ILE 118          2HD1      ILE 118   0.627  -1.394   8.555
  889   3HD1  ILE 118          3HD1      ILE 118   0.548  -1.868   6.859
  890    H    GLU 119           H        GLU 119   6.355  -0.351   8.368
  891    HA   GLU 119           HA       GLU 119   6.900   0.211  11.097
  892   1HB   GLU 119          1HB       GLU 119   8.705   0.095   8.681
  893   2HB   GLU 119          2HB       GLU 119   9.286   0.301  10.326
  894   1HG   GLU 119          1HG       GLU 119   7.690  -2.054   9.339
  895   2HG   GLU 119          2HG       GLU 119   9.444  -2.020   9.536
  896    H    LYS 120           H        LYS 120   7.205   2.157   8.128
  897    HA   LYS 120           HA       LYS 120   8.168   4.426   9.654
  898   1HB   LYS 120          1HB       LYS 120   7.456   4.354   6.728
  899   2HB   LYS 120          2HB       LYS 120   8.484   5.517   7.553
  900   1HG   LYS 120          1HG       LYS 120   9.096   2.599   7.129
  901   2HG   LYS 120          2HG       LYS 120   9.800   3.956   6.247
  902   1HD   LYS 120          1HD       LYS 120  10.848   4.778   8.259
  903   2HD   LYS 120          2HD       LYS 120  10.043   3.539   9.226
  904   1HE   LYS 120          1HE       LYS 120  11.238   1.811   7.896
  905   2HE   LYS 120          2HE       LYS 120  12.120   3.103   7.085
  906   1HZ   LYS 120          1HZ       LYS 120  13.399   2.162   8.904
  907   2HZ   LYS 120          2HZ       LYS 120  12.171   2.545  10.002
  908   3HZ   LYS 120          3HZ       LYS 120  13.022   3.781   9.223
  909    H    LEU 121           H        LEU 121   5.403   3.916   7.432
  910    HA   LEU 121           HA       LEU 121   4.123   6.263   8.615
  911   1HB   LEU 121          1HB       LEU 121   4.406   5.906   6.105
  912   2HB   LEU 121          2HB       LEU 121   3.154   4.694   6.242
  913    HG   LEU 121           HG       LEU 121   2.599   7.164   5.512
  914   1HD1  LEU 121          1HD1      LEU 121   0.945   5.464   7.352
  915   2HD1  LEU 121          2HD1      LEU 121   0.927   5.494   5.589
  916   3HD1  LEU 121          3HD1      LEU 121   0.326   6.878   6.500
  917   1HD2  LEU 121          1HD2      LEU 121   2.378   7.361   8.510
  918   2HD2  LEU 121          2HD2      LEU 121   1.838   8.562   7.336
  919   3HD2  LEU 121          3HD2      LEU 121   3.558   8.213   7.514
  920    H    PHE 122           H        PHE 122   3.957   2.871   8.778
  921    HA   PHE 122           HA       PHE 122   2.618   1.489   9.997
  922   1HB   PHE 122          1HB       PHE 122   2.184   2.624  11.890
  923   2HB   PHE 122          2HB       PHE 122   1.900   4.133  11.033
  924    HD1  PHE 122           1HD      PHE 122   0.371   1.073  12.330
  925    HD2  PHE 122           2HD      PHE 122  -0.304   4.786  10.365
  926    HE1  PHE 122           1HE      PHE 122  -2.040   0.866  12.771
  927    HE2  PHE 122           2HE      PHE 122  -2.710   4.589  10.804
  928    HZ   PHE 122           HZ       PHE 122  -3.595   2.562  11.933
  929    H    SER 123           H        SER 123   1.378   3.635   7.644
  930    HA   SER 123           HA       SER 123  -0.567   1.633   6.843
  931   1HB   SER 123          1HB       SER 123  -1.856   3.104   8.339
  932   2HB   SER 123          2HB       SER 123  -1.388   4.500   7.370
  933    HG   SER 123           HG       SER 123  -2.541   2.414   5.971
  934   1H4   TSD 124          1H4       TSP 124  -0.161  -0.596  -1.082
  935   2H4   TSD 124          2H4       TSP 124  -0.410  -0.135   0.586
  936   3H4   TSD 124          3H4       TSP 124   0.553   0.877  -0.466
  937   1H5   TSD 124          1H5       TSP 124  -1.679   0.374  -3.167
  938   2H5   TSD 124          2H5       TSP 124  -3.200   1.176  -2.853
  939   3H5   TSD 124          3H5       TSP 124  -2.936  -0.453  -2.276
  940   1H6   TSD 124          1H6       TSP 124  -0.664   3.062  -1.833
  941   2H6   TSD 124          2H6       TSP 124  -1.049   3.318  -0.147
  942   3H6   TSD 124          3H6       TSP 124  -2.298   3.466  -1.362
  943   1D3   TSD 124          1D3       TSP 124  -3.937   1.511   0.115
  944   2D3   TSD 124          2D3       TSP 124  -3.313  -0.087   0.471
  945   1D2   TSD 124          1D2       TSP 124  -2.463   2.501   1.809
  946   2D2   TSD 124          2D2       TSP 124  -1.738   0.924   2.125
  Start of MODEL    2
    1    HA   ILE   1           HA       ILE   1   2.192  10.664  10.193
    2    HB   ILE   1           HB       ILE   1   0.579  12.457   8.370
    3   1HG1  ILE   1          1HG1      ILE   1   3.042  13.313   7.949
    4   2HG1  ILE   1          2HG1      ILE   1   3.466  11.673   8.426
    5   1HG2  ILE   1          1HG2      ILE   1   2.443  13.112  10.644
    6   2HG2  ILE   1          2HG2      ILE   1   0.692  13.317  10.631
    7   3HG2  ILE   1          3HG2      ILE   1   1.702  14.289   9.560
    8   1HD1  ILE   1          1HD1      ILE   1   2.072  10.787   6.640
    9   2HD1  ILE   1          2HD1      ILE   1   3.289  11.895   6.010
   10   3HD1  ILE   1          3HD1      ILE   1   1.615  12.425   6.175
   11    H    ASP   2           H        ASP   2  -1.057  11.467   8.954
   12    HA   ASP   2           HA       ASP   2  -2.082  11.237  11.695
   13   1HB   ASP   2          1HB       ASP   2  -3.341  12.523   9.262
   14   2HB   ASP   2          2HB       ASP   2  -4.007  12.534  10.890
   15    H    GLN   3           H        GLN   3  -3.526   9.736  12.266
   16    HA   GLN   3           HA       GLN   3  -3.923   7.427  10.774
   17   1HB   GLN   3          1HB       GLN   3  -5.518   8.570  13.067
   18   2HB   GLN   3          2HB       GLN   3  -5.796   6.967  12.405
   19   1HG   GLN   3          1HG       GLN   3  -4.447   6.756  14.358
   20   2HG   GLN   3          2HG       GLN   3  -3.449   6.388  12.951
   21   1HE2  GLN   3          1HE2      GLN   3  -1.795   7.772  12.378
   22   2HE2  GLN   3          2HE2      GLN   3  -1.219   9.019  13.426
   23    H    ASP   4           H        ASP   4  -5.603  10.439  10.691
   24    HA   ASP   4           HA       ASP   4  -7.929   9.385   9.340
   25   1HB   ASP   4          1HB       ASP   4  -7.069  12.242   9.840
   26   2HB   ASP   4          2HB       ASP   4  -8.629  11.747   9.189
   27    H    THR   5           H        THR   5  -5.330  11.661   8.472
   28    HA   THR   5           HA       THR   5  -5.943  12.031   5.808
   29    HB   THR   5           HB       THR   5  -3.579  12.591   5.449
   30    HG1  THR   5           1HG      THR   5  -2.072  11.858   6.757
   31   1HG2  THR   5          1HG2      THR   5  -3.394  14.356   7.150
   32   2HG2  THR   5          2HG2      THR   5  -4.669  13.580   8.089
   33   3HG2  THR   5          3HG2      THR   5  -5.030  14.251   6.499
   34    H    VAL   6           H        VAL   6  -4.372   9.310   7.320
   35    HA   VAL   6           HA       VAL   6  -3.554   8.172   4.785
   36    HB   VAL   6           HB       VAL   6  -3.450   6.988   7.564
   37   1HG1  VAL   6          1HG1      VAL   6  -3.456   5.259   5.853
   38   2HG1  VAL   6          2HG1      VAL   6  -1.864   5.386   6.599
   39   3HG1  VAL   6          3HG1      VAL   6  -2.146   6.076   5.002
   40   1HG2  VAL   6          1HG2      VAL   6  -1.295   8.313   5.921
   41   2HG2  VAL   6          2HG2      VAL   6  -1.073   7.549   7.495
   42   3HG2  VAL   6          3HG2      VAL   6  -2.078   8.992   7.348
   43    H    VAL   7           H        VAL   7  -5.544   6.891   7.459
   44    HA   VAL   7           HA       VAL   7  -6.681   4.817   5.956
   45    HB   VAL   7           HB       VAL   7  -7.775   6.159   8.428
   46   1HG1  VAL   7          1HG1      VAL   7  -8.413   3.481   7.191
   47   2HG1  VAL   7          2HG1      VAL   7  -9.499   4.864   7.331
   48   3HG1  VAL   7          3HG1      VAL   7  -8.957   4.019   8.780
   49   1HG2  VAL   7          1HG2      VAL   7  -5.985   3.752   8.101
   50   2HG2  VAL   7          2HG2      VAL   7  -6.691   4.299   9.622
   51   3HG2  VAL   7          3HG2      VAL   7  -5.528   5.317   8.774
   52    H    ALA   8           H        ALA   8  -8.288   7.808   7.065
   53    HA   ALA   8           HA       ALA   8 -10.692   7.443   5.764
   54   1HB   ALA   8          1HB       ALA   8 -10.240   9.156   7.481
   55   2HB   ALA   8          2HB       ALA   8 -11.094   9.789   6.074
   56   3HB   ALA   8          3HB       ALA   8  -9.371  10.097   6.269
   57    H    LYS   9           H        LYS   9  -7.666   8.615   4.378
   58    HA   LYS   9           HA       LYS   9  -9.060   9.487   1.969
   59   1HB   LYS   9          1HB       LYS   9  -6.152   9.557   2.753
   60   2HB   LYS   9          2HB       LYS   9  -6.734  10.061   1.174
   61   1HG   LYS   9          1HG       LYS   9  -7.576  11.265   3.803
   62   2HG   LYS   9          2HG       LYS   9  -6.391  11.953   2.693
   63   1HD   LYS   9          1HD       LYS   9  -9.272  11.395   1.985
   64   2HD   LYS   9          2HD       LYS   9  -8.658  12.966   2.499
   65   1HE   LYS   9          1HE       LYS   9  -7.139  12.999   0.581
   66   2HE   LYS   9          2HE       LYS   9  -7.747  11.425   0.069
   67   1HZ   LYS   9          1HZ       LYS   9  -9.942  12.414  -0.209
   68   2HZ   LYS   9          2HZ       LYS   9  -8.794  13.206  -1.168
   69   3HZ   LYS   9          3HZ       LYS   9  -9.341  13.924   0.262
   70    H    TYR  10           H        TYR  10  -6.360   7.236   2.628
   71    HA   TYR  10           HA       TYR  10  -6.229   6.082   0.121
   72   1HB   TYR  10          1HB       TYR  10  -5.565   5.056   2.859
   73   2HB   TYR  10          2HB       TYR  10  -5.434   3.991   1.465
   74    HD1  TYR  10           1HD      TYR  10  -4.184   5.278  -0.616
   75    HD2  TYR  10           2HD      TYR  10  -3.588   6.015   3.531
   76    HE1  TYR  10           1HE      TYR  10  -1.951   6.180  -1.102
   77    HE2  TYR  10           2HE      TYR  10  -1.353   6.922   3.054
   78    HH   TYR  10           HH       TYR  10  -0.316   7.709  -0.074
   79    H    MET  11           H        MET  11  -8.635   5.670   2.558
   80    HA   MET  11           HA       MET  11  -9.662   3.190   1.513
   81   1HB   MET  11          1HB       MET  11  -9.861   3.853   3.912
   82   2HB   MET  11          2HB       MET  11 -10.955   5.140   3.428
   83   1HG   MET  11          1HG       MET  11 -12.131   3.178   4.289
   84   2HG   MET  11          2HG       MET  11 -12.554   3.539   2.618
   85   1HE   MET  11          1HE       MET  11  -9.231   1.824   3.872
   86   2HE   MET  11          2HE       MET  11  -9.703   0.125   3.851
   87   3HE   MET  11          3HE       MET  11 -10.457   1.237   4.995
   88    H    GLU  12           H        GLU  12 -10.929   6.516   1.698
   89    HA   GLU  12           HA       GLU  12 -13.130   6.057  -0.005
   90   1HB   GLU  12          1HB       GLU  12 -12.898   7.955   1.610
   91   2HB   GLU  12          2HB       GLU  12 -11.727   8.681   0.517
   92   1HG   GLU  12          1HG       GLU  12 -13.533   8.619  -1.248
   93   2HG   GLU  12          2HG       GLU  12 -14.650   8.210   0.051
   94    H    TYR  13           H        TYR  13  -9.804   6.667  -0.627
   95    HA   TYR  13           HA       TYR  13 -10.048   7.743  -3.247
   96   1HB   TYR  13          1HB       TYR  13  -8.026   7.751  -1.589
   97   2HB   TYR  13          2HB       TYR  13  -7.645   6.199  -2.325
   98    HD1  TYR  13           1HD      TYR  13  -7.113   9.661  -2.507
   99    HD2  TYR  13           2HD      TYR  13  -7.598   6.227  -4.975
  100    HE1  TYR  13           1HE      TYR  13  -5.964  10.823  -4.340
  101    HE2  TYR  13           2HE      TYR  13  -6.451   7.386  -6.817
  102    HH   TYR  13           HH       TYR  13  -5.999   9.710  -7.532
  103    H    LEU  14           H        LEU  14  -9.846   4.498  -1.932
  104    HA   LEU  14           HA       LEU  14 -10.597   3.422  -4.535
  105   1HB   LEU  14          1HB       LEU  14  -8.137   2.591  -3.007
  106   2HB   LEU  14          2HB       LEU  14  -8.873   1.585  -4.240
  107    HG   LEU  14           HG       LEU  14  -7.926   4.391  -4.791
  108   1HD1  LEU  14          1HD1      LEU  14  -6.411   1.828  -5.249
  109   2HD1  LEU  14          2HD1      LEU  14  -6.058   3.000  -3.981
  110   3HD1  LEU  14          3HD1      LEU  14  -5.888   3.457  -5.675
  111   1HD2  LEU  14          1HD2      LEU  14  -7.943   3.619  -7.114
  112   2HD2  LEU  14          2HD2      LEU  14  -9.537   3.479  -6.375
  113   3HD2  LEU  14          3HD2      LEU  14  -8.534   2.043  -6.586
  114    H    MET  15           H        MET  15 -12.331   3.642  -2.514
  115    HA   MET  15           HA       MET  15 -12.373   1.414  -0.751
  116   1HB   MET  15          1HB       MET  15 -13.585   3.717  -0.583
  117   2HB   MET  15          2HB       MET  15 -14.838   2.927  -1.528
  118   1HG   MET  15          1HG       MET  15 -13.775   1.816   1.046
  119   2HG   MET  15          2HG       MET  15 -15.155   2.910   0.964
  120   1HE   MET  15          1HE       MET  15 -16.699   2.045  -1.614
  121   2HE   MET  15          2HE       MET  15 -17.476   2.312  -0.054
  122   3HE   MET  15          3HE       MET  15 -17.808   0.838  -0.962
  123    HA   PRO  16           HA       PRO  16 -15.579  -0.440  -3.820
  124   1HB   PRO  16          1HB       PRO  16 -15.834   0.618  -6.282
  125   2HB   PRO  16          2HB       PRO  16 -16.732   1.245  -4.894
  126   1HG   PRO  16          1HG       PRO  16 -14.235   2.298  -6.168
  127   2HG   PRO  16          2HG       PRO  16 -15.663   3.186  -5.600
  128   1HD   PRO  16          1HD       PRO  16 -13.354   2.984  -4.163
  129   2HD   PRO  16          2HD       PRO  16 -14.952   3.176  -3.416
  130    H    ASP  17           H        ASP  17 -12.539   0.780  -5.037
  131    HA   ASP  17           HA       ASP  17 -12.191  -1.267  -7.015
  132   1HB   ASP  17          1HB       ASP  17 -10.165   0.616  -5.790
  133   2HB   ASP  17          2HB       ASP  17  -9.907  -0.378  -7.220
  134    H    ILE  18           H        ILE  18 -11.970  -1.257  -3.665
  135    HA   ILE  18           HA       ILE  18  -9.842  -3.236  -3.517
  136    HB   ILE  18           HB       ILE  18 -11.462  -1.764  -1.466
  137   1HG1  ILE  18          1HG1      ILE  18  -8.481  -2.157  -1.760
  138   2HG1  ILE  18          2HG1      ILE  18  -9.366  -0.817  -2.483
  139   1HG2  ILE  18          1HG2      ILE  18  -9.745  -4.187  -0.946
  140   2HG2  ILE  18          2HG2      ILE  18 -11.471  -4.017  -0.625
  141   3HG2  ILE  18          3HG2      ILE  18 -10.305  -3.070   0.299
  142   1HD1  ILE  18          1HD1      ILE  18  -8.275  -0.163  -0.408
  143   2HD1  ILE  18          2HD1      ILE  18  -9.168  -1.409   0.462
  144   3HD1  ILE  18          3HD1      ILE  18 -10.030  -0.055  -0.269
  145    H    MET  19           H        MET  19 -13.319  -3.102  -3.507
  146    HA   MET  19           HA       MET  19 -13.980  -5.480  -2.257
  147   1HB   MET  19          1HB       MET  19 -15.314  -4.271  -4.686
  148   2HB   MET  19          2HB       MET  19 -16.027  -5.467  -3.612
  149   1HG   MET  19          1HG       MET  19 -15.919  -3.875  -1.766
  150   2HG   MET  19          2HG       MET  19 -15.201  -2.679  -2.841
  151   1HE   MET  19          1HE       MET  19 -17.797  -2.057  -1.094
  152   2HE   MET  19          2HE       MET  19 -18.772  -1.201  -2.289
  153   3HE   MET  19          3HE       MET  19 -17.035  -0.909  -2.194
  154    HA   PRO  20           HA       PRO  20 -13.484  -7.728  -6.596
  155   1HB   PRO  20          1HB       PRO  20 -11.297  -6.088  -7.742
  156   2HB   PRO  20          2HB       PRO  20 -12.708  -6.793  -8.537
  157   1HG   PRO  20          1HG       PRO  20 -12.573  -4.175  -8.083
  158   2HG   PRO  20          2HG       PRO  20 -14.103  -5.055  -7.900
  159   1HD   PRO  20          1HD       PRO  20 -12.196  -4.111  -5.793
  160   2HD   PRO  20          2HD       PRO  20 -13.970  -4.073  -5.804
  161    H    CYS  21           H        CYS  21 -10.714  -6.107  -5.103
  162    HA   CYS  21           HA       CYS  21  -8.737  -7.980  -5.618
  163   1HB   CYS  21          1HB       CYS  21  -9.059  -6.278  -3.142
  164   2HB   CYS  21          2HB       CYS  21  -7.572  -7.064  -3.658
  165    H    ALA  22           H        ALA  22 -10.990  -7.874  -2.862
  166    HA   ALA  22           HA       ALA  22  -9.975 -10.043  -1.439
  167   1HB   ALA  22          1HB       ALA  22 -12.894  -9.314  -1.666
  168   2HB   ALA  22          2HB       ALA  22 -11.737  -8.467  -0.643
  169   3HB   ALA  22          3HB       ALA  22 -12.105 -10.165  -0.337
  170    H    ASP  23           H        ASP  23 -12.421 -10.006  -4.013
  171    HA   ASP  23           HA       ASP  23 -12.730 -12.865  -3.973
  172   1HB   ASP  23          1HB       ASP  23 -13.651 -10.810  -5.999
  173   2HB   ASP  23          2HB       ASP  23 -14.133 -12.504  -5.981
  174    H    GLU  24           H        GLU  24 -10.527 -10.678  -5.301
  175    HA   GLU  24           HA       GLU  24  -9.832 -11.899  -7.720
  176   1HB   GLU  24          1HB       GLU  24  -9.116  -9.623  -6.832
  177   2HB   GLU  24          2HB       GLU  24  -7.891 -10.479  -5.911
  178   1HG   GLU  24          1HG       GLU  24  -6.965  -9.593  -7.965
  179   2HG   GLU  24          2HG       GLU  24  -6.937 -11.356  -7.972
  180    H    LEU  25           H        LEU  25  -8.319 -12.294  -4.482
  181    HA   LEU  25           HA       LEU  25  -6.987 -14.694  -5.570
  182   1HB   LEU  25          1HB       LEU  25  -6.357 -13.143  -3.061
  183   2HB   LEU  25          2HB       LEU  25  -5.403 -14.449  -3.747
  184    HG   LEU  25           HG       LEU  25  -5.850 -11.753  -5.041
  185   1HD1  LEU  25          1HD1      LEU  25  -3.383 -11.526  -4.646
  186   2HD1  LEU  25          2HD1      LEU  25  -3.497 -12.933  -3.588
  187   3HD1  LEU  25          3HD1      LEU  25  -4.388 -11.462  -3.200
  188   1HD2  LEU  25          1HD2      LEU  25  -5.605 -13.511  -6.696
  189   2HD2  LEU  25          2HD2      LEU  25  -4.144 -14.085  -5.891
  190   3HD2  LEU  25          3HD2      LEU  25  -4.164 -12.494  -6.652
  191    H    HIS  26           H        HIS  26  -8.829 -13.549  -2.735
  192    HA   HIS  26           HA       HIS  26 -10.198 -15.951  -2.377
  193   1HB   HIS  26          1HB       HIS  26  -7.803 -16.677  -1.777
  194   2HB   HIS  26          2HB       HIS  26  -8.012 -15.720  -0.317
  195    HD1  HIS  26           1HD      HIS  26  -8.239 -19.060  -1.364
  196    HD2  HIS  26           2HD      HIS  26 -10.651 -16.635   0.994
  197    HE1  HIS  26           1HE      HIS  26  -9.638 -20.635   0.012
  198    HE2  HIS  26           2HE      HIS  26 -11.089 -19.146   1.434
  199    H    ILE  27           H        ILE  27  -8.515 -13.716  -0.211
  200    HA   ILE  27           HA       ILE  27 -11.039 -12.635   0.779
  201    HB   ILE  27           HB       ILE  27  -9.972 -13.023   3.166
  202   1HG1  ILE  27          1HG1      ILE  27  -9.159 -15.665   2.192
  203   2HG1  ILE  27          2HG1      ILE  27  -8.128 -14.363   1.589
  204   1HG2  ILE  27          1HG2      ILE  27 -11.458 -15.149   1.621
  205   2HG2  ILE  27          2HG2      ILE  27 -12.170 -13.808   2.516
  206   3HG2  ILE  27          3HG2      ILE  27 -11.313 -15.085   3.378
  207   1HD1  ILE  27          1HD1      ILE  27  -7.257 -15.329   3.644
  208   2HD1  ILE  27          2HD1      ILE  27  -8.755 -14.933   4.483
  209   3HD1  ILE  27          3HD1      ILE  27  -7.714 -13.644   3.883
  210    H    SER  28           H        SER  28 -10.829 -10.502   1.214
  211    HA   SER  28           HA       SER  28  -8.390  -9.135   0.827
  212   1HB   SER  28          1HB       SER  28  -9.617  -7.149   1.722
  213   2HB   SER  28          2HB       SER  28 -10.489  -7.990   0.443
  214    HG   SER  28           HG       SER  28 -11.983  -8.580   1.831
  215    H    GLU  29           H        GLU  29  -7.315  -7.734   2.441
  216    HA   GLU  29           HA       GLU  29  -6.366  -9.198   4.614
  217   1HB   GLU  29          1HB       GLU  29  -6.075  -6.461   3.607
  218   2HB   GLU  29          2HB       GLU  29  -5.857  -6.610   5.346
  219   1HG   GLU  29          1HG       GLU  29  -3.757  -6.802   4.092
  220   2HG   GLU  29          2HG       GLU  29  -4.126  -8.236   5.048
  221    H    ASP  30           H        ASP  30  -9.194  -7.265   4.301
  222    HA   ASP  30           HA       ASP  30  -9.598  -6.554   6.994
  223   1HB   ASP  30          1HB       ASP  30 -10.876  -5.516   5.194
  224   2HB   ASP  30          2HB       ASP  30 -11.623  -7.061   4.802
  225    H    ILE  31           H        ILE  31 -10.449  -9.433   5.151
  226    HA   ILE  31           HA       ILE  31 -11.590 -10.664   7.557
  227    HB   ILE  31           HB       ILE  31 -11.571 -11.867   4.795
  228   1HG1  ILE  31          1HG1      ILE  31 -13.751 -10.135   5.982
  229   2HG1  ILE  31          2HG1      ILE  31 -12.597  -9.575   4.777
  230   1HG2  ILE  31          1HG2      ILE  31 -12.101 -13.377   6.627
  231   2HG2  ILE  31          2HG2      ILE  31 -13.533 -13.080   5.640
  232   3HG2  ILE  31          3HG2      ILE  31 -13.352 -12.270   7.197
  233   1HD1  ILE  31          1HD1      ILE  31 -14.630 -11.765   4.424
  234   2HD1  ILE  31          2HD1      ILE  31 -13.439 -11.278   3.218
  235   3HD1  ILE  31          3HD1      ILE  31 -14.690 -10.146   3.731
  236    H    ALA  32           H        ALA  32  -8.695 -10.437   5.937
  237    HA   ALA  32           HA       ALA  32  -7.735 -13.094   6.071
  238   1HB   ALA  32          1HB       ALA  32  -6.163 -10.524   6.069
  239   2HB   ALA  32          2HB       ALA  32  -6.722 -11.389   4.637
  240   3HB   ALA  32          3HB       ALA  32  -5.536 -12.134   5.708
  241    H    THR  33           H        THR  33  -8.391 -10.838   8.494
  242    HA   THR  33           HA       THR  33  -6.344 -11.280  10.346
  243    HB   THR  33           HB       THR  33  -9.255 -10.729  10.958
  244    HG1  THR  33           1HG      THR  33  -7.830  -8.542  11.173
  245   1HG2  THR  33          1HG2      THR  33  -8.374  -9.714  13.022
  246   2HG2  THR  33          2HG2      THR  33  -6.750 -10.242  12.577
  247   3HG2  THR  33          3HG2      THR  33  -8.000 -11.436  12.927
  248    H    ASN  34           H        ASN  34  -9.547 -12.421  11.232
  249    HA   ASN  34           HA       ASN  34 -10.214 -14.304  12.328
  250   1HB   ASN  34          1HB       ASN  34  -9.965 -15.118   9.970
  251   2HB   ASN  34          2HB       ASN  34  -8.356 -15.695  10.392
  252   1HD2  ASN  34          1HD2      ASN  34 -11.052 -15.788  12.602
  253   2HD2  ASN  34          2HD2      ASN  34 -11.235 -17.506  12.614
  254    H    ILE  35           H        ILE  35  -8.549 -13.149  13.934
  255    HA   ILE  35           HA       ILE  35  -7.104 -13.409  15.669
  256    HB   ILE  35           HB       ILE  35  -7.317 -16.387  15.271
  257   1HG1  ILE  35          1HG1      ILE  35  -9.280 -14.620  16.750
  258   2HG1  ILE  35          2HG1      ILE  35  -9.578 -15.317  15.161
  259   1HG2  ILE  35          1HG2      ILE  35  -5.726 -15.601  16.950
  260   2HG2  ILE  35          2HG2      ILE  35  -7.084 -16.437  17.703
  261   3HG2  ILE  35          3HG2      ILE  35  -7.005 -14.674  17.735
  262   1HD1  ILE  35          1HD1      ILE  35  -9.394 -17.559  16.122
  263   2HD1  ILE  35          2HD1      ILE  35 -10.670 -16.611  16.887
  264   3HD1  ILE  35          3HD1      ILE  35  -9.129 -16.846  17.713
  265    H    GLN  36           H        GLN  36  -5.782 -12.773  13.462
  266    HA   GLN  36           HA       GLN  36  -3.264 -14.213  13.760
  267   1HB   GLN  36          1HB       GLN  36  -4.545 -13.732  11.061
  268   2HB   GLN  36          2HB       GLN  36  -2.926 -14.364  11.323
  269   1HG   GLN  36          1HG       GLN  36  -3.875 -16.328  12.426
  270   2HG   GLN  36          2HG       GLN  36  -5.495 -15.695  12.148
  271   1HE2  GLN  36          1HE2      GLN  36  -6.331 -15.673  10.053
  272   2HE2  GLN  36          2HE2      GLN  36  -5.646 -16.629   8.787
  273    H    ALA  37           H        ALA  37  -1.877 -12.668  14.311
  274    HA   ALA  37           HA       ALA  37  -2.321  -9.917  13.726
  275   1HB   ALA  37          1HB       ALA  37   0.123 -11.261  14.857
  276   2HB   ALA  37          2HB       ALA  37  -1.229 -10.615  15.785
  277   3HB   ALA  37          3HB       ALA  37  -0.197  -9.527  14.854
  278    H    ALA  38           H        ALA  38   0.469 -11.971  12.897
  279    HA   ALA  38           HA       ALA  38   1.830 -12.046  11.085
  280   1HB   ALA  38          1HB       ALA  38  -0.355 -10.554   9.641
  281   2HB   ALA  38          2HB       ALA  38  -0.269 -12.306   9.822
  282   3HB   ALA  38          3HB       ALA  38   0.974 -11.451   8.907
  283    H    LYS  39           H        LYS  39   0.513  -9.015   9.878
  284    HA   LYS  39           HA       LYS  39   3.097  -7.764  10.511
  285   1HB   LYS  39          1HB       LYS  39   2.086  -7.954   8.106
  286   2HB   LYS  39          2HB       LYS  39   1.112  -6.579   8.606
  287   1HG   LYS  39          1HG       LYS  39   4.123  -6.647   8.675
  288   2HG   LYS  39          2HG       LYS  39   3.166  -5.966   7.360
  289   1HD   LYS  39          1HD       LYS  39   2.180  -4.350   8.907
  290   2HD   LYS  39          2HD       LYS  39   3.110  -5.046  10.236
  291   1HE   LYS  39          1HE       LYS  39   5.190  -4.450   9.041
  292   2HE   LYS  39          2HE       LYS  39   4.219  -3.677   7.788
  293   1HZ   LYS  39          1HZ       LYS  39   4.306  -2.893  10.652
  294   2HZ   LYS  39          2HZ       LYS  39   3.345  -2.163   9.467
  295   3HZ   LYS  39          3HZ       LYS  39   5.030  -2.058   9.371
  296    H    ASN  40           H        ASN  40  -0.308  -6.698  10.177
  297    HA   ASN  40           HA       ASN  40   0.100  -4.978  12.531
  298   1HB   ASN  40          1HB       ASN  40  -1.243  -3.226  11.486
  299   2HB   ASN  40          2HB       ASN  40   0.156  -3.605  10.486
  300   1HD2  ASN  40          1HD2      ASN  40  -0.142  -4.708   8.542
  301   2HD2  ASN  40          2HD2      ASN  40  -1.688  -4.797   7.773
  302    H    GLY  41           H        GLY  41  -1.300  -7.641  11.799
  303   1HA   GLY  41          1HA       GLY  41  -2.983  -8.523  13.312
  304   2HA   GLY  41          2HA       GLY  41  -3.821  -6.986  13.185
  305    H    ALA  42           H        ALA  42  -3.092  -7.121  10.197
  306    HA   ALA  42           HA       ALA  42  -5.514  -8.516   9.394
  307   1HB   ALA  42          1HB       ALA  42  -5.137  -7.494   7.211
  308   2HB   ALA  42          2HB       ALA  42  -3.572  -6.886   7.755
  309   3HB   ALA  42          3HB       ALA  42  -5.056  -6.285   8.492
  310    H    ASP  43           H        ASP  43  -2.303  -8.366   7.897
  311    HA   ASP  43           HA       ASP  43  -1.665 -11.084   8.109
  312   1HB   ASP  43          1HB       ASP  43  -3.721 -11.080   6.506
  313   2HB   ASP  43          2HB       ASP  43  -2.581 -10.461   5.315
  314    H    MET  44           H        MET  44   0.103 -11.674   6.470
  315    HA   MET  44           HA       MET  44   1.580  -9.274   5.609
  316   1HB   MET  44          1HB       MET  44   3.466  -9.822   6.752
  317   2HB   MET  44          2HB       MET  44   2.323 -10.629   7.811
  318   1HG   MET  44          1HG       MET  44   2.756 -12.743   6.674
  319   2HG   MET  44          2HG       MET  44   3.900 -11.932   5.601
  320   1HE   MET  44          1HE       MET  44   4.692 -14.505   7.162
  321   2HE   MET  44          2HE       MET  44   6.253 -14.084   7.866
  322   3HE   MET  44          3HE       MET  44   5.878 -13.614   6.208
  323    H    SER  45           H        SER  45   1.150 -12.777   5.268
  324    HA   SER  45           HA       SER  45   2.741 -13.085   2.964
  325   1HB   SER  45          1HB       SER  45   0.385 -14.738   3.904
  326   2HB   SER  45          2HB       SER  45   1.556 -15.231   2.682
  327    HG   SER  45           HG       SER  45   3.156 -15.218   4.252
  328    H    GLN  46           H        GLN  46  -0.799 -12.746   3.323
  329    HA   GLN  46           HA       GLN  46  -1.071 -12.431   0.457
  330   1HB   GLN  46          1HB       GLN  46  -3.077 -12.514   2.706
  331   2HB   GLN  46          2HB       GLN  46  -3.527 -12.178   1.040
  332   1HG   GLN  46          1HG       GLN  46  -2.678 -14.712   2.306
  333   2HG   GLN  46          2HG       GLN  46  -3.898 -14.412   1.070
  334   1HE2  GLN  46          1HE2      GLN  46  -3.224 -14.174  -1.107
  335   2HE2  GLN  46          2HE2      GLN  46  -1.708 -14.805  -1.648
  336    H    LEU  47           H        LEU  47  -0.511 -10.438   3.124
  337    HA   LEU  47           HA       LEU  47  -1.917  -8.119   2.298
  338   1HB   LEU  47          1HB       LEU  47  -1.094  -8.277   4.561
  339   2HB   LEU  47          2HB       LEU  47   0.552  -8.468   4.001
  340    HG   LEU  47           HG       LEU  47   0.427  -6.132   3.088
  341   1HD1  LEU  47          1HD1      LEU  47  -2.073  -5.946   4.755
  342   2HD1  LEU  47          2HD1      LEU  47  -2.059  -6.053   2.997
  343   3HD1  LEU  47          3HD1      LEU  47  -1.323  -4.666   3.800
  344   1HD2  LEU  47          1HD2      LEU  47   0.726  -5.065   5.258
  345   2HD2  LEU  47          2HD2      LEU  47   1.517  -6.642   5.213
  346   3HD2  LEU  47          3HD2      LEU  47  -0.023  -6.451   6.052
  347    H    GLY  48           H        GLY  48   1.002  -9.643   1.335
  348   1HA   GLY  48          1HA       GLY  48   1.922  -7.325  -0.147
  349   2HA   GLY  48          2HA       GLY  48   2.714  -8.894  -0.067
  350    H    CYS  49           H        CYS  49  -0.555  -9.264  -0.632
  351    HA   CYS  49           HA       CYS  49  -0.260  -9.175  -3.536
  352   1HB   CYS  49          1HB       CYS  49  -0.941 -11.551  -1.870
  353   2HB   CYS  49          2HB       CYS  49  -1.631 -11.394  -3.480
  354    H    LEU  50           H        LEU  50  -2.766 -10.388  -1.313
  355    HA   LEU  50           HA       LEU  50  -4.963  -9.500  -2.692
  356   1HB   LEU  50          1HB       LEU  50  -4.388 -10.157   0.116
  357   2HB   LEU  50          2HB       LEU  50  -5.752  -9.080  -0.097
  358    HG   LEU  50           HG       LEU  50  -6.756 -11.143  -0.048
  359   1HD1  LEU  50          1HD1      LEU  50  -7.423  -9.932  -2.072
  360   2HD1  LEU  50          2HD1      LEU  50  -7.541 -11.682  -2.262
  361   3HD1  LEU  50          3HD1      LEU  50  -6.190 -10.807  -2.982
  362   1HD2  LEU  50          1HD2      LEU  50  -4.338 -12.154  -1.491
  363   2HD2  LEU  50          2HD2      LEU  50  -5.817 -13.106  -1.375
  364   3HD2  LEU  50          3HD2      LEU  50  -4.964 -12.621   0.089
  365    H    LYS  51           H        LYS  51  -2.922  -7.744  -0.437
  366    HA   LYS  51           HA       LYS  51  -4.458  -5.310  -0.724
  367   1HB   LYS  51          1HB       LYS  51  -2.789  -6.279   1.242
  368   2HB   LYS  51          2HB       LYS  51  -1.779  -5.081   0.446
  369   1HG   LYS  51          1HG       LYS  51  -2.884  -3.995   2.236
  370   2HG   LYS  51          2HG       LYS  51  -3.644  -3.441   0.744
  371   1HD   LYS  51          1HD       LYS  51  -5.479  -5.006   1.074
  372   2HD   LYS  51          2HD       LYS  51  -4.709  -5.616   2.541
  373   1HE   LYS  51          1HE       LYS  51  -6.467  -4.054   3.119
  374   2HE   LYS  51          2HE       LYS  51  -4.899  -3.377   3.545
  375   1HZ   LYS  51          1HZ       LYS  51  -6.306  -1.731   2.486
  376   2HZ   LYS  51          2HZ       LYS  51  -6.469  -2.706   1.113
  377   3HZ   LYS  51          3HZ       LYS  51  -4.959  -2.059   1.518
  378    H    ALA  52           H        ALA  52  -1.749  -6.883  -2.186
  379    HA   ALA  52           HA       ALA  52  -0.541  -4.552  -3.319
  380   1HB   ALA  52          1HB       ALA  52   0.739  -6.079  -4.680
  381   2HB   ALA  52          2HB       ALA  52  -0.365  -7.400  -4.301
  382   3HB   ALA  52          3HB       ALA  52   0.652  -6.710  -3.035
  383    H    CYS  53           H        CYS  53  -3.348  -6.336  -3.970
  384    HA   CYS  53           HA       CYS  53  -3.647  -6.044  -6.734
  385   1HB   CYS  53          1HB       CYS  53  -5.202  -7.466  -5.706
  386   2HB   CYS  53          2HB       CYS  53  -5.574  -6.300  -4.442
  387    H    VAL  54           H        VAL  54  -4.317  -3.874  -4.056
  388    HA   VAL  54           HA       VAL  54  -5.669  -1.860  -5.482
  389    HB   VAL  54           HB       VAL  54  -3.925  -1.560  -3.030
  390   1HG1  VAL  54          1HG1      VAL  54  -5.277   0.440  -2.582
  391   2HG1  VAL  54          2HG1      VAL  54  -6.102   0.217  -4.125
  392   3HG1  VAL  54          3HG1      VAL  54  -4.376   0.577  -4.091
  393   1HG2  VAL  54          1HG2      VAL  54  -5.670  -3.220  -2.688
  394   2HG2  VAL  54          2HG2      VAL  54  -6.887  -2.080  -3.262
  395   3HG2  VAL  54          3HG2      VAL  54  -6.014  -1.758  -1.764
  396    H    MET  55           H        MET  55  -2.290  -2.632  -5.098
  397    HA   MET  55           HA       MET  55  -1.253  -0.158  -6.044
  398   1HB   MET  55          1HB       MET  55   0.064  -2.879  -6.089
  399   2HB   MET  55          2HB       MET  55   0.873  -1.327  -6.212
  400   1HG   MET  55          1HG       MET  55   0.184  -0.774  -3.942
  401   2HG   MET  55          2HG       MET  55  -0.651  -2.321  -3.816
  402   1HE   MET  55          1HE       MET  55   2.406  -2.836  -1.433
  403   2HE   MET  55          2HE       MET  55   0.650  -2.888  -1.589
  404   3HE   MET  55          3HE       MET  55   1.497  -1.343  -1.675
  405    H    LYS  56           H        LYS  56  -1.445  -3.366  -7.603
  406    HA   LYS  56           HA       LYS  56  -0.676  -2.496 -10.157
  407   1HB   LYS  56          1HB       LYS  56  -2.531  -4.814  -9.637
  408   2HB   LYS  56          2HB       LYS  56  -1.383  -4.623 -10.954
  409   1HG   LYS  56          1HG       LYS  56   0.468  -4.823  -9.373
  410   2HG   LYS  56          2HG       LYS  56  -0.684  -5.015  -8.051
  411   1HD   LYS  56          1HD       LYS  56  -0.473  -6.851 -10.436
  412   2HD   LYS  56          2HD       LYS  56   0.248  -7.166  -8.857
  413   1HE   LYS  56          1HE       LYS  56  -1.989  -7.100  -7.841
  414   2HE   LYS  56          2HE       LYS  56  -2.694  -6.825  -9.433
  415   1HZ   LYS  56          1HZ       LYS  56  -1.169  -9.233  -8.598
  416   2HZ   LYS  56          2HZ       LYS  56  -1.809  -8.970 -10.141
  417   3HZ   LYS  56          3HZ       LYS  56  -2.845  -9.143  -8.815
  418    H    ARG  57           H        ARG  57  -3.617  -2.132  -8.454
  419    HA   ARG  57           HA       ARG  57  -5.376  -1.941 -10.689
  420   1HB   ARG  57          1HB       ARG  57  -6.046  -2.434  -8.307
  421   2HB   ARG  57          2HB       ARG  57  -5.771  -0.734  -7.951
  422   1HG   ARG  57          1HG       ARG  57  -8.011  -0.698  -8.333
  423   2HG   ARG  57          2HG       ARG  57  -7.427  -0.391  -9.970
  424   1HD   ARG  57          1HD       ARG  57  -8.212  -3.087  -8.868
  425   2HD   ARG  57          2HD       ARG  57  -9.213  -2.085  -9.917
  426    HE   ARG  57           HE       ARG  57  -6.577  -2.991 -10.839
  427   1HH1  ARG  57          1HH1      ARG  57 -10.051  -2.963 -11.142
  428   2HH1  ARG  57          2HH1      ARG  57 -10.049  -3.729 -12.696
  429   1HH2  ARG  57          1HH2      ARG  57  -6.569  -4.001 -12.884
  430   2HH2  ARG  57          2HH2      ARG  57  -8.071  -4.318 -13.685
  431    H    ILE  58           H        ILE  58  -3.286   0.307  -9.014
  432    HA   ILE  58           HA       ILE  58  -4.382   2.516 -10.619
  433    HB   ILE  58           HB       ILE  58  -3.254   4.045  -9.099
  434   1HG1  ILE  58          1HG1      ILE  58  -2.442   1.598  -7.516
  435   2HG1  ILE  58          2HG1      ILE  58  -1.350   2.516  -8.548
  436   1HG2  ILE  58          1HG2      ILE  58  -4.900   1.977  -7.650
  437   2HG2  ILE  58          2HG2      ILE  58  -5.527   3.332  -8.589
  438   3HG2  ILE  58          3HG2      ILE  58  -4.613   3.632  -7.110
  439   1HD1  ILE  58          1HD1      ILE  58  -1.127   3.093  -6.177
  440   2HD1  ILE  58          2HD1      ILE  58  -2.807   3.625  -6.161
  441   3HD1  ILE  58          3HD1      ILE  58  -1.625   4.471  -7.160
  442    H    GLU  59           H        GLU  59  -2.282   0.302 -11.206
  443    HA   GLU  59           HA       GLU  59  -0.468   0.086 -12.547
  444   1HB   GLU  59          1HB       GLU  59  -1.119   2.969 -13.137
  445   2HB   GLU  59          2HB       GLU  59   0.161   2.089 -13.959
  446   1HG   GLU  59          1HG       GLU  59  -1.494   0.460 -14.757
  447   2HG   GLU  59          2HG       GLU  59  -2.767   1.385 -13.963
  448    H    MET  60           H        MET  60   0.298   0.152 -10.047
  449    HA   MET  60           HA       MET  60   2.745   1.778 -10.117
  450   1HB   MET  60          1HB       MET  60   2.596   2.323  -7.800
  451   2HB   MET  60          2HB       MET  60   1.063   2.768  -8.534
  452   1HG   MET  60          1HG       MET  60  -0.060   0.982  -7.539
  453   2HG   MET  60          2HG       MET  60   1.438   0.136  -7.159
  454   1HE   MET  60          1HE       MET  60   2.892   2.254  -4.230
  455   2HE   MET  60          2HE       MET  60   3.269   2.383  -5.948
  456   3HE   MET  60          3HE       MET  60   3.071   0.797  -5.208
  457    H    LEU  61           H        LEU  61   1.791  -1.116 -10.551
  458    HA   LEU  61           HA       LEU  61   4.131  -2.376  -9.503
  459   1HB   LEU  61          1HB       LEU  61   2.788  -2.444  -7.481
  460   2HB   LEU  61          2HB       LEU  61   1.439  -3.133  -8.362
  461    HG   LEU  61           HG       LEU  61   2.802  -5.168  -8.786
  462   1HD1  LEU  61          1HD1      LEU  61   4.846  -5.513  -7.494
  463   2HD1  LEU  61          2HD1      LEU  61   4.758  -3.852  -6.909
  464   3HD1  LEU  61          3HD1      LEU  61   5.017  -4.170  -8.623
  465   1HD2  LEU  61          1HD2      LEU  61   2.659  -6.039  -6.502
  466   2HD2  LEU  61          2HD2      LEU  61   1.231  -5.099  -6.931
  467   3HD2  LEU  61          3HD2      LEU  61   2.469  -4.395  -5.890
  468    H    LYS  62           H        LYS  62   4.698  -3.405 -11.317
  469    HA   LYS  62           HA       LYS  62   2.611  -4.819 -12.836
  470   1HB   LYS  62          1HB       LYS  62   5.275  -3.687 -13.675
  471   2HB   LYS  62          2HB       LYS  62   4.372  -4.810 -14.681
  472   1HG   LYS  62          1HG       LYS  62   3.860  -2.660 -15.479
  473   2HG   LYS  62          2HG       LYS  62   2.449  -3.177 -14.559
  474   1HD   LYS  62          1HD       LYS  62   4.173  -1.877 -12.747
  475   2HD   LYS  62          2HD       LYS  62   4.092  -0.873 -14.195
  476   1HE   LYS  62          1HE       LYS  62   1.742  -1.906 -12.615
  477   2HE   LYS  62          2HE       LYS  62   2.354  -0.253 -12.605
  478   1HZ   LYS  62          1HZ       LYS  62   1.237  -1.663 -14.969
  479   2HZ   LYS  62          2HZ       LYS  62   1.810  -0.071 -14.950
  480   3HZ   LYS  62          3HZ       LYS  62   0.437  -0.484 -14.056
  481    H    GLY  63           H        GLY  63   2.758  -6.574 -11.256
  482   1HA   GLY  63          1HA       GLY  63   3.340  -8.768 -10.864
  483   2HA   GLY  63          2HA       GLY  63   4.463  -8.656 -12.208
  484    H    THR  64           H        THR  64   5.838  -6.334 -10.941
  485    HA   THR  64           HA       THR  64   6.878  -7.053  -8.436
  486    HB   THR  64           HB       THR  64   7.970  -8.927  -9.278
  487    HG1  THR  64           1HG      THR  64  10.252  -8.083  -9.626
  488   1HG2  THR  64          1HG2      THR  64   8.720  -7.310 -11.718
  489   2HG2  THR  64          2HG2      THR  64   7.499  -8.580 -11.643
  490   3HG2  THR  64          3HG2      THR  64   9.199  -8.979 -11.409
  491    H    GLU  65           H        GLU  65   6.913  -5.164 -11.290
  492    HA   GLU  65           HA       GLU  65   9.127  -3.490 -10.482
  493   1HB   GLU  65          1HB       GLU  65   7.095  -3.020 -12.665
  494   2HB   GLU  65          2HB       GLU  65   8.640  -2.204 -12.474
  495   1HG   GLU  65          1HG       GLU  65   8.241  -5.122 -13.092
  496   2HG   GLU  65          2HG       GLU  65   8.746  -3.873 -14.229
  497    H    LEU  66           H        LEU  66   8.852  -2.146  -8.807
  498    HA   LEU  66           HA       LEU  66   6.293  -1.118  -8.055
  499   1HB   LEU  66          1HB       LEU  66   9.086  -0.530  -7.090
  500   2HB   LEU  66          2HB       LEU  66   7.642   0.166  -6.378
  501    HG   LEU  66           HG       LEU  66   8.413  -1.667  -5.038
  502   1HD1  LEU  66          1HD1      LEU  66   6.007  -1.326  -5.180
  503   2HD1  LEU  66          2HD1      LEU  66   6.399  -3.030  -4.952
  504   3HD1  LEU  66          3HD1      LEU  66   5.929  -2.439  -6.546
  505   1HD2  LEU  66          1HD2      LEU  66   9.596  -2.886  -6.840
  506   2HD2  LEU  66          2HD2      LEU  66   8.029  -3.486  -7.391
  507   3HD2  LEU  66          3HD2      LEU  66   8.622  -3.913  -5.788
  508    H    TYR  67           H        TYR  67   5.627   1.045  -8.029
  509    HA   TYR  67           HA       TYR  67   7.208   3.024  -9.461
  510   1HB   TYR  67          1HB       TYR  67   4.503   2.055 -10.382
  511   2HB   TYR  67          2HB       TYR  67   5.141   3.633 -10.834
  512    HD1  TYR  67           1HD      TYR  67   5.290   0.059 -11.425
  513    HD2  TYR  67           2HD      TYR  67   7.186   3.779 -12.234
  514    HE1  TYR  67           1HE      TYR  67   6.504  -0.975 -13.298
  515    HE2  TYR  67           2HE      TYR  67   8.406   2.757 -14.110
  516    HH   TYR  67           HH       TYR  67   9.137   0.498 -14.817
  517    H    VAL  68           H        VAL  68   6.899   5.055  -8.695
  518    HA   VAL  68           HA       VAL  68   4.792   5.386  -6.668
  519    HB   VAL  68           HB       VAL  68   6.286   7.134  -5.683
  520   1HG1  VAL  68          1HG1      VAL  68   6.145   4.920  -4.703
  521   2HG1  VAL  68          2HG1      VAL  68   7.799   5.522  -4.601
  522   3HG1  VAL  68          3HG1      VAL  68   7.370   4.324  -5.823
  523   1HG2  VAL  68          1HG2      VAL  68   7.660   7.602  -7.634
  524   2HG2  VAL  68          2HG2      VAL  68   8.304   5.960  -7.590
  525   3HG2  VAL  68          3HG2      VAL  68   8.668   7.084  -6.282
  526    H    GLU  69           H        GLU  69   5.023   6.049  -9.705
  527    HA   GLU  69           HA       GLU  69   4.896   8.874  -9.889
  528   1HB   GLU  69          1HB       GLU  69   3.917   6.713 -11.755
  529   2HB   GLU  69          2HB       GLU  69   3.858   8.426 -12.139
  530   1HG   GLU  69          1HG       GLU  69   6.278   8.566 -11.964
  531   2HG   GLU  69          2HG       GLU  69   6.355   6.860 -11.528
  532    HA   PRO  70           HA       PRO  70   0.104   8.311  -9.897
  533   1HB   PRO  70          1HB       PRO  70  -0.897   5.973  -8.923
  534   2HB   PRO  70          2HB       PRO  70  -0.575   6.257 -10.637
  535   1HG   PRO  70          1HG       PRO  70   1.035   4.750  -8.629
  536   2HG   PRO  70          2HG       PRO  70   0.750   4.395 -10.340
  537   1HD   PRO  70          1HD       PRO  70   3.049   5.520  -9.384
  538   2HD   PRO  70          2HD       PRO  70   2.442   5.767 -11.031
  539    H    VAL  71           H        VAL  71   2.082   6.930  -7.375
  540    HA   VAL  71           HA       VAL  71   0.255   7.429  -5.230
  541    HB   VAL  71           HB       VAL  71   3.244   7.144  -4.963
  542   1HG1  VAL  71          1HG1      VAL  71   2.735   6.273  -2.776
  543   2HG1  VAL  71          2HG1      VAL  71   1.005   6.348  -3.108
  544   3HG1  VAL  71          3HG1      VAL  71   1.943   7.835  -2.974
  545   1HG2  VAL  71          1HG2      VAL  71   1.182   4.954  -5.213
  546   2HG2  VAL  71          2HG2      VAL  71   2.866   4.718  -4.746
  547   3HG2  VAL  71          3HG2      VAL  71   2.475   5.317  -6.358
  548    H    TYR  72           H        TYR  72   3.211   9.078  -6.337
  549    HA   TYR  72           HA       TYR  72   3.269  11.131  -4.496
  550   1HB   TYR  72          1HB       TYR  72   4.090  11.011  -7.387
  551   2HB   TYR  72          2HB       TYR  72   4.290  12.485  -6.449
  552    HD1  TYR  72           1HD      TYR  72   6.721  12.277  -6.979
  553    HD2  TYR  72           2HD      TYR  72   4.686   9.376  -4.623
  554    HE1  TYR  72           1HE      TYR  72   8.880  11.454  -6.138
  555    HE2  TYR  72           2HE      TYR  72   6.837   8.548  -3.775
  556    HH   TYR  72           HH       TYR  72   9.216   8.528  -4.491
  557    H    LYS  73           H        LYS  73   1.010  10.571  -7.022
  558    HA   LYS  73           HA       LYS  73   0.064  13.277  -7.213
  559   1HB   LYS  73          1HB       LYS  73  -0.093  11.682  -9.095
  560   2HB   LYS  73          2HB       LYS  73  -1.222  10.711  -8.161
  561   1HG   LYS  73          1HG       LYS  73  -2.488  12.013  -9.687
  562   2HG   LYS  73          2HG       LYS  73  -2.736  12.700  -8.080
  563   1HD   LYS  73          1HD       LYS  73  -0.854  14.319  -8.667
  564   2HD   LYS  73          2HD       LYS  73  -1.051  13.764 -10.331
  565   1HE   LYS  73          1HE       LYS  73  -3.440  14.406 -10.211
  566   2HE   LYS  73          2HE       LYS  73  -3.152  15.056  -8.597
  567   1HZ   LYS  73          1HZ       LYS  73  -3.088  16.790 -10.279
  568   2HZ   LYS  73          2HZ       LYS  73  -1.838  15.991 -11.092
  569   3HZ   LYS  73          3HZ       LYS  73  -1.573  16.617  -9.545
  570    H    MET  74           H        MET  74  -1.043  10.313  -5.573
  571    HA   MET  74           HA       MET  74  -3.412  11.587  -4.571
  572   1HB   MET  74          1HB       MET  74  -3.604   9.473  -3.190
  573   2HB   MET  74          2HB       MET  74  -3.617   9.260  -4.935
  574   1HG   MET  74          1HG       MET  74  -1.351   8.528  -4.926
  575   2HG   MET  74          2HG       MET  74  -1.182   8.901  -3.212
  576   1HE   MET  74          1HE       MET  74  -3.709   5.457  -4.951
  577   2HE   MET  74          2HE       MET  74  -2.648   6.499  -5.902
  578   3HE   MET  74          3HE       MET  74  -4.126   7.152  -5.198
  579    H    ILE  75           H        ILE  75  -0.196  10.833  -3.333
  580    HA   ILE  75           HA       ILE  75  -0.549  11.307  -0.634
  581    HB   ILE  75           HB       ILE  75   1.825  12.159  -2.310
  582   1HG1  ILE  75          1HG1      ILE  75   1.480   9.613  -0.723
  583   2HG1  ILE  75          2HG1      ILE  75   1.133   9.724  -2.445
  584   1HG2  ILE  75          1HG2      ILE  75   1.674  11.575   0.644
  585   2HG2  ILE  75          2HG2      ILE  75   1.759  13.187  -0.068
  586   3HG2  ILE  75          3HG2      ILE  75   3.107  12.065  -0.259
  587   1HD1  ILE  75          1HD1      ILE  75   3.798  10.233  -1.145
  588   2HD1  ILE  75          2HD1      ILE  75   3.454  10.347  -2.870
  589   3HD1  ILE  75          3HD1      ILE  75   3.336   8.791  -2.048
  590    H    GLU  76           H        GLU  76  -0.754  13.461  -3.289
  591    HA   GLU  76           HA       GLU  76  -0.205  15.914  -2.007
  592   1HB   GLU  76          1HB       GLU  76  -2.036  15.353  -4.345
  593   2HB   GLU  76          2HB       GLU  76  -1.457  16.943  -3.868
  594   1HG   GLU  76          1HG       GLU  76   0.868  16.127  -4.249
  595   2HG   GLU  76          2HG       GLU  76   0.177  14.645  -4.906
  596    H    VAL  77           H        VAL  77  -3.394  14.490  -2.805
  597    HA   VAL  77           HA       VAL  77  -4.714  16.340  -1.006
  598    HB   VAL  77           HB       VAL  77  -5.938  14.018  -2.498
  599   1HG1  VAL  77          1HG1      VAL  77  -8.016  15.277  -2.256
  600   2HG1  VAL  77          2HG1      VAL  77  -7.158  16.530  -1.360
  601   3HG1  VAL  77          3HG1      VAL  77  -7.308  14.908  -0.683
  602   1HG2  VAL  77          1HG2      VAL  77  -5.622  16.884  -3.383
  603   2HG2  VAL  77          2HG2      VAL  77  -6.563  15.652  -4.221
  604   3HG2  VAL  77          3HG2      VAL  77  -4.813  15.481  -4.081
  605    H    VAL  78           H        VAL  78  -4.062  12.886  -1.198
  606    HA   VAL  78           HA       VAL  78  -5.482  11.885   0.900
  607    HB   VAL  78           HB       VAL  78  -2.762  11.134  -0.163
  608   1HG1  VAL  78          1HG1      VAL  78  -4.320   9.670   1.976
  609   2HG1  VAL  78          2HG1      VAL  78  -2.775  10.490   2.201
  610   3HG1  VAL  78          3HG1      VAL  78  -2.876   9.070   1.160
  611   1HG2  VAL  78          1HG2      VAL  78  -4.680  10.718  -1.594
  612   2HG2  VAL  78          2HG2      VAL  78  -5.475   9.823  -0.300
  613   3HG2  VAL  78          3HG2      VAL  78  -3.993   9.198  -1.023
  614    H    HIS  79           H        HIS  79  -2.708  13.975   1.062
  615    HA   HIS  79           HA       HIS  79  -2.848  13.851   4.002
  616   1HB   HIS  79          1HB       HIS  79  -0.356  14.326   2.345
  617   2HB   HIS  79          2HB       HIS  79  -0.446  14.350   4.103
  618    HD1  HIS  79           1HD      HIS  79  -0.521  12.104   5.322
  619    HD2  HIS  79           2HD      HIS  79  -0.462  11.756   1.184
  620    HE1  HIS  79           1HE      HIS  79  -0.066   9.674   4.858
  621    HE2  HIS  79           2HE      HIS  79  -0.117   9.472   2.348
  622    H    ALA  80           H        ALA  80  -4.521  15.552   2.973
  623    HA   ALA  80           HA       ALA  80  -3.519  18.088   2.234
  624   1HB   ALA  80          1HB       ALA  80  -6.187  17.411   3.469
  625   2HB   ALA  80          2HB       ALA  80  -5.809  17.357   1.748
  626   3HB   ALA  80          3HB       ALA  80  -5.780  18.896   2.608
  627    H    GLY  81           H        GLY  81  -2.927  19.834   3.397
  628   1HA   GLY  81          1HA       GLY  81  -3.467  20.964   5.651
  629   2HA   GLY  81          2HA       GLY  81  -2.783  19.488   6.316
  630    H    ASN  82           H        ASN  82  -0.542  18.991   5.769
  631    HA   ASN  82           HA       ASN  82   1.042  21.453   5.614
  632   1HB   ASN  82          1HB       ASN  82   1.371  18.842   6.951
  633   2HB   ASN  82          2HB       ASN  82   2.840  19.518   6.258
  634   1HD2  ASN  82          1HD2      ASN  82   0.404  19.837   8.667
  635   2HD2  ASN  82          2HD2      ASN  82   1.159  21.100   9.567
  636    H    ALA  83           H        ALA  83   2.409  21.866   3.991
  637    HA   ALA  83           HA       ALA  83   2.250  20.377   1.586
  638   1HB   ALA  83          1HB       ALA  83   4.222  22.524   2.372
  639   2HB   ALA  83          2HB       ALA  83   2.652  22.790   1.611
  640   3HB   ALA  83          3HB       ALA  83   3.925  21.939   0.735
  641    H    ASP  84           H        ASP  84   4.367  20.245   4.337
  642    HA   ASP  84           HA       ASP  84   6.384  18.722   2.925
  643   1HB   ASP  84          1HB       ASP  84   6.165  19.210   5.897
  644   2HB   ASP  84          2HB       ASP  84   7.570  18.612   5.012
  645    H    ASP  85           H        ASP  85   3.589  18.109   4.931
  646    HA   ASP  85           HA       ASP  85   4.160  15.481   5.721
  647   1HB   ASP  85          1HB       ASP  85   1.606  16.980   5.198
  648   2HB   ASP  85          2HB       ASP  85   1.553  15.249   5.521
  649    H    ILE  86           H        ILE  86   3.195  16.879   2.714
  650    HA   ILE  86           HA       ILE  86   2.559  14.411   1.395
  651    HB   ILE  86           HB       ILE  86   3.227  17.135   0.245
  652   1HG1  ILE  86          1HG1      ILE  86   0.523  15.840   0.644
  653   2HG1  ILE  86          2HG1      ILE  86   1.216  17.032   1.737
  654   1HG2  ILE  86          1HG2      ILE  86   3.574  15.359  -1.385
  655   2HG2  ILE  86          2HG2      ILE  86   2.154  16.317  -1.802
  656   3HG2  ILE  86          3HG2      ILE  86   1.958  14.728  -1.062
  657   1HD1  ILE  86          1HD1      ILE  86   1.255  18.665  -0.084
  658   2HD1  ILE  86          2HD1      ILE  86  -0.371  18.063   0.233
  659   3HD1  ILE  86          3HD1      ILE  86   0.534  17.469  -1.160
  660    H    GLN  87           H        GLN  87   5.353  16.404   1.934
  661    HA   GLN  87           HA       GLN  87   7.040  15.035   0.049
  662   1HB   GLN  87          1HB       GLN  87   7.651  17.052   2.204
  663   2HB   GLN  87          2HB       GLN  87   8.847  16.415   1.084
  664   1HG   GLN  87          1HG       GLN  87   7.448  17.310  -0.778
  665   2HG   GLN  87          2HG       GLN  87   6.437  18.080   0.443
  666   1HE2  GLN  87          1HE2      GLN  87   8.687  18.652   2.198
  667   2HE2  GLN  87          2HE2      GLN  87   9.536  19.972   1.477
  668    H    LEU  88           H        LEU  88   6.035  14.573   3.267
  669    HA   LEU  88           HA       LEU  88   8.333  13.187   4.234
  670   1HB   LEU  88          1HB       LEU  88   6.368  14.370   5.504
  671   2HB   LEU  88          2HB       LEU  88   5.581  12.815   5.355
  672    HG   LEU  88           HG       LEU  88   6.632  13.005   7.523
  673   1HD1  LEU  88          1HD1      LEU  88   6.608  10.796   6.482
  674   2HD1  LEU  88          2HD1      LEU  88   8.024  11.012   7.512
  675   3HD1  LEU  88          3HD1      LEU  88   8.185  11.118   5.758
  676   1HD2  LEU  88          1HD2      LEU  88   9.192  13.473   6.001
  677   2HD2  LEU  88          2HD2      LEU  88   9.069  13.229   7.742
  678   3HD2  LEU  88          3HD2      LEU  88   8.334  14.647   6.996
  679    H    VAL  89           H        VAL  89   5.038  12.023   3.518
  680    HA   VAL  89           HA       VAL  89   5.720   9.298   3.536
  681    HB   VAL  89           HB       VAL  89   3.488   9.234   3.602
  682   1HG1  VAL  89          1HG1      VAL  89   2.025  11.070   2.871
  683   2HG1  VAL  89          2HG1      VAL  89   3.431  11.894   2.200
  684   3HG1  VAL  89          3HG1      VAL  89   3.323  11.607   3.935
  685   1HG2  VAL  89          1HG2      VAL  89   3.852   8.258   1.376
  686   2HG2  VAL  89          2HG2      VAL  89   3.586   9.844   0.653
  687   3HG2  VAL  89          3HG2      VAL  89   2.277   9.039   1.516
  688    H    LYS  90           H        LYS  90   5.832  11.710   1.012
  689    HA   LYS  90           HA       LYS  90   6.014  10.120  -1.254
  690   1HB   LYS  90          1HB       LYS  90   6.539  12.841  -0.554
  691   2HB   LYS  90          2HB       LYS  90   7.863  12.253  -1.548
  692   1HG   LYS  90          1HG       LYS  90   6.505  11.884  -3.377
  693   2HG   LYS  90          2HG       LYS  90   5.045  11.772  -2.397
  694   1HD   LYS  90          1HD       LYS  90   4.794  14.036  -2.248
  695   2HD   LYS  90          2HD       LYS  90   6.522  14.344  -2.423
  696   1HE   LYS  90          1HE       LYS  90   6.379  13.753  -4.796
  697   2HE   LYS  90          2HE       LYS  90   4.652  13.450  -4.615
  698   1HZ   LYS  90          1HZ       LYS  90   5.116  15.647  -5.542
  699   2HZ   LYS  90          2HZ       LYS  90   5.981  16.065  -4.149
  700   3HZ   LYS  90          3HZ       LYS  90   4.320  15.759  -4.054
  701    H    GLY  91           H        GLY  91   8.400  10.827   1.203
  702   1HA   GLY  91          1HA       GLY  91  10.543   9.556  -0.291
  703   2HA   GLY  91          2HA       GLY  91  10.660  10.251   1.320
  704    H    ILE  92           H        ILE  92   8.186   8.692   2.084
  705    HA   ILE  92           HA       ILE  92   9.528   6.443   3.181
  706    HB   ILE  92           HB       ILE  92   6.564   6.950   3.026
  707   1HG1  ILE  92          1HG1      ILE  92   8.555   7.667   5.120
  708   2HG1  ILE  92          2HG1      ILE  92   7.675   8.797   4.111
  709   1HG2  ILE  92          1HG2      ILE  92   7.131   4.620   3.518
  710   2HG2  ILE  92          2HG2      ILE  92   6.381   5.418   4.901
  711   3HG2  ILE  92          3HG2      ILE  92   8.126   5.165   4.869
  712   1HD1  ILE  92          1HD1      ILE  92   6.711   8.761   6.307
  713   2HD1  ILE  92          2HD1      ILE  92   6.543   7.006   6.249
  714   3HD1  ILE  92          3HD1      ILE  92   5.581   8.019   5.172
  715    H    ALA  93           H        ALA  93   7.565   6.965   0.343
  716    HA   ALA  93           HA       ALA  93   6.926   4.278  -0.229
  717   1HB   ALA  93          1HB       ALA  93   5.776   6.163  -1.277
  718   2HB   ALA  93          2HB       ALA  93   6.435   5.062  -2.487
  719   3HB   ALA  93          3HB       ALA  93   7.253   6.587  -2.142
  720    H    ASN  94           H        ASN  94   9.836   6.093  -0.587
  721    HA   ASN  94           HA       ASN  94  11.013   4.378  -2.575
  722   1HB   ASN  94          1HB       ASN  94  11.691   6.707  -2.470
  723   2HB   ASN  94          2HB       ASN  94  12.214   6.513  -0.800
  724   1HD2  ASN  94          1HD2      ASN  94  14.305   7.138  -1.236
  725   2HD2  ASN  94          2HD2      ASN  94  15.412   6.148  -2.117
  726    H    GLU  95           H        GLU  95  11.037   4.635   0.919
  727    HA   GLU  95           HA       GLU  95  13.232   2.958   1.449
  728   1HB   GLU  95          1HB       GLU  95  11.834   4.510   3.020
  729   2HB   GLU  95          2HB       GLU  95  10.841   3.079   3.261
  730   1HG   GLU  95          1HG       GLU  95  13.810   3.168   3.741
  731   2HG   GLU  95          2HG       GLU  95  12.594   3.437   4.987
  732    H    CYS  96           H        CYS  96   9.899   2.284   0.663
  733    HA   CYS  96           HA       CYS  96  10.014  -0.490   1.426
  734   1HB   CYS  96          1HB       CYS  96   7.960   0.801  -0.364
  735   2HB   CYS  96          2HB       CYS  96   7.774  -0.631   0.642
  736    H    ILE  97           H        ILE  97  10.824   1.348  -1.372
  737    HA   ILE  97           HA       ILE  97  10.556  -0.786  -3.270
  738    HB   ILE  97           HB       ILE  97  12.063   1.823  -3.466
  739   1HG1  ILE  97          1HG1      ILE  97   9.402   1.014  -4.658
  740   2HG1  ILE  97          2HG1      ILE  97   9.579   1.971  -3.193
  741   1HG2  ILE  97          1HG2      ILE  97  12.069   1.404  -5.896
  742   2HG2  ILE  97          2HG2      ILE  97  11.391  -0.197  -5.603
  743   3HG2  ILE  97          3HG2      ILE  97  13.001   0.203  -5.004
  744   1HD1  ILE  97          1HD1      ILE  97  10.500   2.749  -5.948
  745   2HD1  ILE  97          2HD1      ILE  97  10.727   3.708  -4.485
  746   3HD1  ILE  97          3HD1      ILE  97   9.101   3.389  -5.087
  747    H    GLU  98           H        GLU  98  13.293   0.720  -1.576
  748    HA   GLU  98           HA       GLU  98  15.292  -0.898  -2.744
  749   1HB   GLU  98          1HB       GLU  98  15.334   0.501  -0.062
  750   2HB   GLU  98          2HB       GLU  98  16.736  -0.084  -0.947
  751   1HG   GLU  98          1HG       GLU  98  16.284   1.503  -2.738
  752   2HG   GLU  98          2HG       GLU  98  14.857   2.077  -1.874
  753    H    ASN  99           H        ASN  99  13.151  -1.349  -0.031
  754    HA   ASN  99           HA       ASN  99  14.593  -3.602   1.037
  755   1HB   ASN  99          1HB       ASN  99  13.383  -2.323   2.627
  756   2HB   ASN  99          2HB       ASN  99  11.914  -2.364   1.656
  757   1HD2  ASN  99          1HD2      ASN  99  10.635  -4.186   1.664
  758   2HD2  ASN  99          2HD2      ASN  99  10.814  -5.443   2.835
  759    H    ALA 100           H        ALA 100  11.482  -3.173  -0.641
  760    HA   ALA 100           HA       ALA 100  10.786  -5.877  -0.786
  761   1HB   ALA 100          1HB       ALA 100   9.220  -5.220  -2.522
  762   2HB   ALA 100          2HB       ALA 100  10.056  -3.678  -2.715
  763   3HB   ALA 100          3HB       ALA 100   9.218  -4.044  -1.207
  764    H    LYS 101           H        LYS 101  13.152  -4.106  -2.544
  765    HA   LYS 101           HA       LYS 101  13.203  -5.762  -4.867
  766   1HB   LYS 101          1HB       LYS 101  14.701  -3.482  -3.840
  767   2HB   LYS 101          2HB       LYS 101  15.729  -4.644  -4.666
  768   1HG   LYS 101          1HG       LYS 101  13.200  -3.697  -5.947
  769   2HG   LYS 101          2HG       LYS 101  14.659  -2.707  -6.003
  770   1HD   LYS 101          1HD       LYS 101  14.786  -3.936  -7.966
  771   2HD   LYS 101          2HD       LYS 101  15.798  -4.867  -6.862
  772   1HE   LYS 101          1HE       LYS 101  14.232  -6.236  -8.238
  773   2HE   LYS 101          2HE       LYS 101  14.058  -6.465  -6.500
  774   1HZ   LYS 101          1HZ       LYS 101  12.323  -4.758  -8.204
  775   2HZ   LYS 101          2HZ       LYS 101  12.151  -4.980  -6.537
  776   3HZ   LYS 101          3HZ       LYS 101  11.914  -6.282  -7.592
  777    H    GLY 102           H        GLY 102  14.375  -7.542  -5.325
  778   1HA   GLY 102          1HA       GLY 102  16.482  -8.795  -4.792
  779   2HA   GLY 102          2HA       GLY 102  15.974  -8.676  -3.113
  780    H    GLU 103           H        GLU 103  13.219  -9.027  -4.840
  781    HA   GLU 103           HA       GLU 103  13.307 -11.967  -4.725
  782   1HB   GLU 103          1HB       GLU 103  11.055 -10.145  -3.866
  783   2HB   GLU 103          2HB       GLU 103  10.920 -11.891  -4.000
  784   1HG   GLU 103          1HG       GLU 103  12.811 -10.431  -2.169
  785   2HG   GLU 103          2HG       GLU 103  11.269 -11.140  -1.694
  786    H    THR 104           H        THR 104  11.094 -12.765  -5.840
  787    HA   THR 104           HA       THR 104  10.727 -11.271  -8.340
  788    HB   THR 104           HB       THR 104  10.777 -13.395  -9.622
  789    HG1  THR 104           1HG      THR 104  11.056 -14.420  -7.095
  790   1HG2  THR 104          1HG2      THR 104  13.314 -12.790  -8.098
  791   2HG2  THR 104          2HG2      THR 104  12.759 -11.963  -9.553
  792   3HG2  THR 104          3HG2      THR 104  13.214 -13.665  -9.626
  793    H    ASP 105           H        ASP 105   9.514 -13.573  -5.997
  794    HA   ASP 105           HA       ASP 105   7.019 -14.022  -7.320
  795   1HB   ASP 105          1HB       ASP 105   7.907 -15.674  -5.759
  796   2HB   ASP 105          2HB       ASP 105   7.835 -14.504  -4.448
  797    H    GLU 106           H        GLU 106   5.100 -12.987  -7.090
  798    HA   GLU 106           HA       GLU 106   4.990 -10.324  -6.412
  799   1HB   GLU 106          1HB       GLU 106   3.299 -11.530  -7.761
  800   2HB   GLU 106          2HB       GLU 106   2.681 -12.267  -6.286
  801   1HG   GLU 106          1HG       GLU 106   1.986 -10.144  -5.439
  802   2HG   GLU 106          2HG       GLU 106   2.779  -9.300  -6.768
  803    H    CYS 107           H        CYS 107   3.351 -12.830  -4.440
  804    HA   CYS 107           HA       CYS 107   2.843 -11.252  -2.239
  805   1HB   CYS 107          1HB       CYS 107   3.329 -14.214  -2.464
  806   2HB   CYS 107          2HB       CYS 107   2.882 -13.455  -0.941
  807    H    ASN 108           H        ASN 108   5.837 -12.904  -3.065
  808    HA   ASN 108           HA       ASN 108   7.081 -12.615  -0.535
  809   1HB   ASN 108          1HB       ASN 108   8.102 -13.122  -3.313
  810   2HB   ASN 108          2HB       ASN 108   9.226 -12.827  -1.990
  811   1HD2  ASN 108          1HD2      ASN 108   9.468 -14.345  -0.388
  812   2HD2  ASN 108          2HD2      ASN 108   8.833 -15.947  -0.514
  813    H    ILE 109           H        ILE 109   7.109 -10.626  -3.463
  814    HA   ILE 109           HA       ILE 109   8.912  -8.679  -2.402
  815    HB   ILE 109           HB       ILE 109   7.011  -8.473  -4.743
  816   1HG1  ILE 109          1HG1      ILE 109   9.979  -9.038  -4.745
  817   2HG1  ILE 109          2HG1      ILE 109   8.748 -10.291  -4.856
  818   1HG2  ILE 109          1HG2      ILE 109   8.472  -6.634  -5.483
  819   2HG2  ILE 109          2HG2      ILE 109   9.360  -6.751  -3.964
  820   3HG2  ILE 109          3HG2      ILE 109   7.661  -6.279  -3.958
  821   1HD1  ILE 109          1HD1      ILE 109   7.937  -9.317  -6.933
  822   2HD1  ILE 109          2HD1      ILE 109   9.649  -9.731  -7.039
  823   3HD1  ILE 109          3HD1      ILE 109   9.158  -8.050  -6.818
  824    H    GLY 110           H        GLY 110   5.439  -9.088  -2.496
  825   1HA   GLY 110          1HA       GLY 110   4.744  -6.432  -1.796
  826   2HA   GLY 110          2HA       GLY 110   3.714  -7.844  -1.641
  827    H    ASN 111           H        ASN 111   4.771  -9.394   0.223
  828    HA   ASN 111           HA       ASN 111   4.108  -8.258   2.633
  829   1HB   ASN 111          1HB       ASN 111   4.330 -10.662   2.396
  830   2HB   ASN 111          2HB       ASN 111   6.062 -10.511   2.113
  831   1HD2  ASN 111          1HD2      ASN 111   4.187  -8.745   4.525
  832   2HD2  ASN 111          2HD2      ASN 111   4.946  -9.465   5.895
  833    H    LYS 112           H        LYS 112   7.048  -7.947   0.864
  834    HA   LYS 112           HA       LYS 112   8.554  -6.891   3.106
  835   1HB   LYS 112          1HB       LYS 112   9.214  -7.111   0.166
  836   2HB   LYS 112          2HB       LYS 112  10.326  -6.541   1.399
  837   1HG   LYS 112          1HG       LYS 112  10.300  -8.697   2.482
  838   2HG   LYS 112          2HG       LYS 112   9.080  -9.281   1.348
  839   1HD   LYS 112          1HD       LYS 112  11.209 -10.119   0.645
  840   2HD   LYS 112          2HD       LYS 112  10.707  -8.874  -0.501
  841   1HE   LYS 112          1HE       LYS 112  12.141  -7.253   0.653
  842   2HE   LYS 112          2HE       LYS 112  12.652  -8.511   1.777
  843   1HZ   LYS 112          1HZ       LYS 112  13.586  -9.738  -0.089
  844   2HZ   LYS 112          2HZ       LYS 112  14.278  -8.199   0.028
  845   3HZ   LYS 112          3HZ       LYS 112  13.112  -8.514  -1.158
  846    H    TYR 113           H        TYR 113   7.126  -5.730   0.093
  847    HA   TYR 113           HA       TYR 113   7.913  -3.038   0.336
  848   1HB   TYR 113          1HB       TYR 113   7.093  -4.129  -1.760
  849   2HB   TYR 113          2HB       TYR 113   5.467  -4.108  -1.086
  850    HD1  TYR 113           1HD      TYR 113   4.181  -2.080  -1.013
  851    HD2  TYR 113           2HD      TYR 113   8.202  -2.030  -2.402
  852    HE1  TYR 113           1HE      TYR 113   3.837   0.185  -1.912
  853    HE2  TYR 113           2HE      TYR 113   7.870   0.235  -3.302
  854    HH   TYR 113           HH       TYR 113   5.170   2.147  -2.519
  855    H    THR 114           H        THR 114   4.693  -4.484   0.916
  856    HA   THR 114           HA       THR 114   3.463  -2.254   1.993
  857    HB   THR 114           HB       THR 114   2.213  -4.276   1.408
  858    HG1  THR 114           1HG      THR 114   1.025  -3.069   2.770
  859   1HG2  THR 114          1HG2      THR 114   3.237  -5.512   3.957
  860   2HG2  THR 114          2HG2      THR 114   3.930  -5.864   2.377
  861   3HG2  THR 114          3HG2      THR 114   2.245  -6.263   2.708
  862    H    ASP 115           H        ASP 115   5.263  -4.807   3.700
  863    HA   ASP 115           HA       ASP 115   4.970  -4.157   6.302
  864   1HB   ASP 115          1HB       ASP 115   6.428  -5.963   5.551
  865   2HB   ASP 115          2HB       ASP 115   7.587  -4.792   4.923
  866    H    CYS 116           H        CYS 116   7.328  -2.613   4.138
  867    HA   CYS 116           HA       CYS 116   8.294  -0.747   6.010
  868   1HB   CYS 116          1HB       CYS 116   9.744  -0.891   4.257
  869   2HB   CYS 116          2HB       CYS 116   8.461  -1.123   3.075
  870    H    TYR 117           H        TYR 117   5.766  -0.493   3.534
  871    HA   TYR 117           HA       TYR 117   5.222   2.227   3.790
  872   1HB   TYR 117          1HB       TYR 117   4.191   0.115   2.321
  873   2HB   TYR 117          2HB       TYR 117   2.831   0.618   3.316
  874    HD1  TYR 117           1HD      TYR 117   1.452   1.520   1.611
  875    HD2  TYR 117           2HD      TYR 117   5.463   2.885   2.015
  876    HE1  TYR 117           1HE      TYR 117   0.982   3.354   0.042
  877    HE2  TYR 117           2HE      TYR 117   5.003   4.723   0.452
  878    HH   TYR 117           HH       TYR 117   3.425   5.250  -1.355
  879    H    ILE 118           H        ILE 118   3.956  -0.518   5.623
  880    HA   ILE 118           HA       ILE 118   2.220   1.173   7.199
  881    HB   ILE 118           HB       ILE 118   2.921  -1.732   7.640
  882   1HG1  ILE 118          1HG1      ILE 118   0.608  -0.481   6.139
  883   2HG1  ILE 118          2HG1      ILE 118   1.928  -1.400   5.427
  884   1HG2  ILE 118          1HG2      ILE 118   0.636  -0.054   8.676
  885   2HG2  ILE 118          2HG2      ILE 118   2.007  -0.645   9.617
  886   3HG2  ILE 118          3HG2      ILE 118   0.844  -1.785   8.943
  887   1HD1  ILE 118          1HD1      ILE 118  -0.077  -2.744   5.583
  888   2HD1  ILE 118          2HD1      ILE 118  -0.151  -2.465   7.322
  889   3HD1  ILE 118          3HD1      ILE 118   1.181  -3.391   6.635
  890    H    GLU 119           H        GLU 119   5.453   0.049   7.333
  891    HA   GLU 119           HA       GLU 119   5.848   0.068  10.127
  892   1HB   GLU 119          1HB       GLU 119   7.393  -0.976   8.482
  893   2HB   GLU 119          2HB       GLU 119   7.877   0.631   7.959
  894   1HG   GLU 119          1HG       GLU 119   8.750   1.111  10.173
  895   2HG   GLU 119          2HG       GLU 119   8.229  -0.477  10.735
  896    H    LYS 120           H        LYS 120   6.791   2.505   7.692
  897    HA   LYS 120           HA       LYS 120   7.191   4.476   9.776
  898   1HB   LYS 120          1HB       LYS 120   7.525   4.617   6.785
  899   2HB   LYS 120          2HB       LYS 120   7.911   5.930   7.892
  900   1HG   LYS 120          1HG       LYS 120   9.535   4.437   9.019
  901   2HG   LYS 120          2HG       LYS 120   9.209   3.219   7.783
  902   1HD   LYS 120          1HD       LYS 120   9.952   4.786   6.053
  903   2HD   LYS 120          2HD       LYS 120  10.283   5.995   7.295
  904   1HE   LYS 120          1HE       LYS 120  11.607   3.293   7.071
  905   2HE   LYS 120          2HE       LYS 120  12.320   4.830   6.580
  906   1HZ   LYS 120          1HZ       LYS 120  12.176   5.578   8.882
  907   2HZ   LYS 120          2HZ       LYS 120  13.106   4.171   8.754
  908   3HZ   LYS 120          3HZ       LYS 120  11.521   4.086   9.343
  909    H    LEU 121           H        LEU 121   5.187   4.293   6.819
  910    HA   LEU 121           HA       LEU 121   3.698   6.634   7.658
  911   1HB   LEU 121          1HB       LEU 121   4.386   6.263   5.299
  912   2HB   LEU 121          2HB       LEU 121   3.292   4.894   5.232
  913    HG   LEU 121           HG       LEU 121   1.391   6.397   5.646
  914   1HD1  LEU 121          1HD1      LEU 121   3.463   8.580   5.471
  915   2HD1  LEU 121          2HD1      LEU 121   2.521   8.141   6.897
  916   3HD1  LEU 121          3HD1      LEU 121   1.717   8.825   5.485
  917   1HD2  LEU 121          1HD2      LEU 121   3.138   7.194   3.322
  918   2HD2  LEU 121          2HD2      LEU 121   1.405   7.496   3.458
  919   3HD2  LEU 121          3HD2      LEU 121   2.008   5.841   3.362
  920    H    PHE 122           H        PHE 122   3.380   3.306   8.197
  921    HA   PHE 122           HA       PHE 122   1.726   2.055   9.139
  922   1HB   PHE 122          1HB       PHE 122   1.301   3.671  10.777
  923   2HB   PHE 122          2HB       PHE 122   0.658   4.823   9.617
  924    HD1  PHE 122           1HD      PHE 122  -0.117   1.398  10.907
  925    HD2  PHE 122           2HD      PHE 122  -1.589   5.182   9.627
  926    HE1  PHE 122           1HE      PHE 122  -2.410   0.689  11.455
  927    HE2  PHE 122           2HE      PHE 122  -3.882   4.481  10.174
  928    HZ   PHE 122           HZ       PHE 122  -4.295   2.233  11.086
  929    H    SER 123           H        SER 123   1.324   3.848   6.351
  930    HA   SER 123           HA       SER 123  -1.350   3.274   5.658
  931   1HB   SER 123          1HB       SER 123  -0.597   3.738   3.323
  932   2HB   SER 123          2HB       SER 123  -0.115   4.988   4.470
  933    HG   SER 123           HG       SER 123   1.918   3.645   4.586
  934   1H4   TSD 124          1H4       TSP 124  -5.390   0.447   1.299
  935   2H4   TSD 124          2H4       TSP 124  -4.896   2.049   1.796
  936   3H4   TSD 124          3H4       TSP 124  -4.389   0.652   2.717
  937   1H5   TSD 124          1H5       TSP 124  -3.161  -0.876  -0.947
  938   2H5   TSD 124          2H5       TSP 124  -3.568  -1.481   0.641
  939   3H5   TSD 124          3H5       TSP 124  -1.901  -1.154   0.233
  940   1H6   TSD 124          1H6       TSP 124  -1.306   2.352   1.334
  941   2H6   TSD 124          2H6       TSP 124  -0.836   0.676   1.484
  942   3H6   TSD 124          3H6       TSP 124  -1.864   1.406   2.694
  943   1D3   TSD 124          1D3       TSP 124  -4.228   1.795  -1.198
  944   2D3   TSD 124          2D3       TSP 124  -3.274   3.008  -0.369
  945   1D2   TSD 124          1D2       TSP 124  -2.244   0.897  -2.286
  946   2D2   TSD 124          2D2       TSP 124  -1.204   1.976  -1.357
  Start of MODEL    3
    1    HA   ILE   1           HA       ILE   1   1.728  12.881  10.601
    2    HB   ILE   1           HB       ILE   1   0.889  11.879   8.541
    3   1HG1  ILE   1          1HG1      ILE   1   2.074   9.275   9.522
    4   2HG1  ILE   1          2HG1      ILE   1   0.355   9.646   9.568
    5   1HG2  ILE   1          1HG2      ILE   1   3.036  11.268   7.535
    6   2HG2  ILE   1          2HG2      ILE   1   3.733  11.081   9.145
    7   3HG2  ILE   1          3HG2      ILE   1   3.190  12.667   8.599
    8   1HD1  ILE   1          1HD1      ILE   1   2.048   9.507   7.083
    9   2HD1  ILE   1          2HD1      ILE   1   0.315   9.827   7.147
   10   3HD1  ILE   1          3HD1      ILE   1   0.941   8.258   7.652
   11    H    ASP   2           H        ASP   2  -0.655  12.620   9.566
   12    HA   ASP   2           HA       ASP   2  -2.330  12.021  11.838
   13   1HB   ASP   2          1HB       ASP   2  -3.003  13.069   9.079
   14   2HB   ASP   2          2HB       ASP   2  -4.158  12.913  10.399
   15    H    GLN   3           H        GLN   3  -3.179  10.098  12.211
   16    HA   GLN   3           HA       GLN   3  -3.029   7.944  10.391
   17   1HB   GLN   3          1HB       GLN   3  -3.033   7.701  12.854
   18   2HB   GLN   3          2HB       GLN   3  -4.723   8.186  12.883
   19   1HG   GLN   3          1HG       GLN   3  -5.201   6.221  11.393
   20   2HG   GLN   3          2HG       GLN   3  -3.543   5.698  11.681
   21   1HE2  GLN   3          1HE2      GLN   3  -3.490   6.589  14.440
   22   2HE2  GLN   3          2HE2      GLN   3  -4.470   5.483  15.331
   23    H    ASP   4           H        ASP   4  -5.302  10.462  10.768
   24    HA   ASP   4           HA       ASP   4  -7.588   9.072   9.758
   25   1HB   ASP   4          1HB       ASP   4  -8.575  11.345   9.528
   26   2HB   ASP   4          2HB       ASP   4  -7.920  11.034  11.134
   27    H    THR   5           H        THR   5  -4.876  10.698   8.334
   28    HA   THR   5           HA       THR   5  -6.119  10.985   5.728
   29    HB   THR   5           HB       THR   5  -3.953  11.794   4.966
   30    HG1  THR   5           1HG      THR   5  -2.628  11.853   7.317
   31   1HG2  THR   5          1HG2      THR   5  -4.651  12.942   7.672
   32   2HG2  THR   5          2HG2      THR   5  -5.417  13.374   6.144
   33   3HG2  THR   5          3HG2      THR   5  -3.715  13.748   6.414
   34    H    VAL   6           H        VAL   6  -4.384   8.672   7.519
   35    HA   VAL   6           HA       VAL   6  -3.381   7.199   5.253
   36    HB   VAL   6           HB       VAL   6  -3.526   6.376   8.154
   37   1HG1  VAL   6          1HG1      VAL   6  -1.759   4.815   7.578
   38   2HG1  VAL   6          2HG1      VAL   6  -1.806   5.360   5.902
   39   3HG1  VAL   6          3HG1      VAL   6  -3.196   4.524   6.598
   40   1HG2  VAL   6          1HG2      VAL   6  -1.303   7.749   6.646
   41   2HG2  VAL   6          2HG2      VAL   6  -1.187   7.116   8.288
   42   3HG2  VAL   6          3HG2      VAL   6  -2.285   8.449   7.931
   43    H    VAL   7           H        VAL   7  -5.574   6.317   7.921
   44    HA   VAL   7           HA       VAL   7  -6.552   3.998   6.661
   45    HB   VAL   7           HB       VAL   7  -7.876   5.594   8.852
   46   1HG1  VAL   7          1HG1      VAL   7  -9.381   3.983   7.833
   47   2HG1  VAL   7          2HG1      VAL   7  -8.915   3.446   9.448
   48   3HG1  VAL   7          3HG1      VAL   7  -8.178   2.707   8.025
   49   1HG2  VAL   7          1HG2      VAL   7  -5.882   3.336   9.023
   50   2HG2  VAL   7          2HG2      VAL   7  -6.730   4.064  10.388
   51   3HG2  VAL   7          3HG2      VAL   7  -5.588   5.024   9.449
   52    H    ALA   8           H        ALA   8  -8.101   7.202   7.075
   53    HA   ALA   8           HA       ALA   8 -10.495   6.510   5.780
   54   1HB   ALA   8          1HB       ALA   8  -9.314   9.272   5.899
   55   2HB   ALA   8          2HB       ALA   8 -10.138   8.494   7.249
   56   3HB   ALA   8          3HB       ALA   8 -11.014   8.828   5.756
   57    H    LYS   9           H        LYS   9  -7.405   7.522   4.434
   58    HA   LYS   9           HA       LYS   9  -8.635   7.992   1.836
   59   1HB   LYS   9          1HB       LYS   9  -5.767   8.161   2.757
   60   2HB   LYS   9          2HB       LYS   9  -6.276   8.449   1.100
   61   1HG   LYS   9          1HG       LYS   9  -7.182  10.012   3.511
   62   2HG   LYS   9          2HG       LYS   9  -5.977  10.532   2.332
   63   1HD   LYS   9          1HD       LYS   9  -8.867   9.915   1.709
   64   2HD   LYS   9          2HD       LYS   9  -8.202  11.533   1.936
   65   1HE   LYS   9          1HE       LYS   9  -6.680  11.150   0.040
   66   2HE   LYS   9          2HE       LYS   9  -7.399   9.558  -0.200
   67   1HZ   LYS   9          1HZ       LYS   9  -8.352  11.167  -1.709
   68   2HZ   LYS   9          2HZ       LYS   9  -8.818  12.157  -0.420
   69   3HZ   LYS   9          3HZ       LYS   9  -9.531  10.637  -0.616
   70    H    TYR  10           H        TYR  10  -5.997   5.867   3.013
   71    HA   TYR  10           HA       TYR  10  -5.742   4.318   0.752
   72   1HB   TYR  10          1HB       TYR  10  -5.361   3.654   3.660
   73   2HB   TYR  10          2HB       TYR  10  -5.069   2.454   2.404
   74    HD1  TYR  10           1HD      TYR  10  -3.828   4.074   0.287
   75    HD2  TYR  10           2HD      TYR  10  -3.253   4.185   4.502
   76    HE1  TYR  10           1HE      TYR  10  -1.565   4.977  -0.051
   77    HE2  TYR  10           2HE      TYR  10  -0.989   5.091   4.174
   78    HH   TYR  10           HH       TYR  10   0.098   6.291   1.191
   79    H    MET  11           H        MET  11  -8.366   4.424   2.950
   80    HA   MET  11           HA       MET  11  -9.445   1.852   2.172
   81   1HB   MET  11          1HB       MET  11 -10.294   4.044   4.026
   82   2HB   MET  11          2HB       MET  11 -11.480   2.860   3.499
   83   1HG   MET  11          1HG       MET  11  -8.900   2.274   4.933
   84   2HG   MET  11          2HG       MET  11 -10.518   2.241   5.635
   85   1HE   MET  11          1HE       MET  11 -12.201   0.929   3.263
   86   2HE   MET  11          2HE       MET  11 -12.387   0.463   4.954
   87   3HE   MET  11          3HE       MET  11 -12.149  -0.775   3.718
   88    H    GLU  12           H        GLU  12 -10.676   5.198   1.986
   89    HA   GLU  12           HA       GLU  12 -12.679   4.572   0.072
   90   1HB   GLU  12          1HB       GLU  12 -12.964   6.450   1.557
   91   2HB   GLU  12          2HB       GLU  12 -11.494   7.205   0.957
   92   1HG   GLU  12          1HG       GLU  12 -12.536   7.499  -1.232
   93   2HG   GLU  12          2HG       GLU  12 -14.007   6.740  -0.629
   94    H    TYR  13           H        TYR  13  -9.609   6.336  -0.208
   95    HA   TYR  13           HA       TYR  13  -9.656   6.937  -2.899
   96   1HB   TYR  13          1HB       TYR  13  -7.974   7.645  -1.122
   97   2HB   TYR  13          2HB       TYR  13  -7.166   6.112  -1.409
   98    HD1  TYR  13           1HD      TYR  13  -7.720   9.481  -2.625
   99    HD2  TYR  13           2HD      TYR  13  -6.120   5.666  -3.618
  100    HE1  TYR  13           1HE      TYR  13  -6.478  10.492  -4.491
  101    HE2  TYR  13           2HE      TYR  13  -4.874   6.668  -5.484
  102    HH   TYR  13           HH       TYR  13  -4.953   8.632  -6.911
  103    H    LEU  14           H        LEU  14  -9.281   3.848  -1.407
  104    HA   LEU  14           HA       LEU  14  -8.776   2.672  -4.053
  105   1HB   LEU  14          1HB       LEU  14  -7.485   1.773  -1.478
  106   2HB   LEU  14          2HB       LEU  14  -7.300   1.001  -3.042
  107    HG   LEU  14           HG       LEU  14  -6.439   3.837  -2.489
  108   1HD1  LEU  14          1HD1      LEU  14  -4.149   2.926  -2.390
  109   2HD1  LEU  14          2HD1      LEU  14  -4.821   1.296  -2.403
  110   3HD1  LEU  14          3HD1      LEU  14  -5.160   2.379  -1.053
  111   1HD2  LEU  14          1HD2      LEU  14  -6.842   3.358  -4.828
  112   2HD2  LEU  14          2HD2      LEU  14  -5.837   1.912  -4.730
  113   3HD2  LEU  14          3HD2      LEU  14  -5.109   3.507  -4.532
  114    H    MET  15           H        MET  15 -11.210   3.017  -2.361
  115    HA   MET  15           HA       MET  15 -11.893   0.474  -1.289
  116   1HB   MET  15          1HB       MET  15 -13.007   2.337  -0.366
  117   2HB   MET  15          2HB       MET  15 -13.479   2.939  -1.948
  118   1HG   MET  15          1HG       MET  15 -15.059   1.180  -2.221
  119   2HG   MET  15          2HG       MET  15 -14.499   0.378  -0.755
  120   1HE   MET  15          1HE       MET  15 -16.330   3.545  -2.213
  121   2HE   MET  15          2HE       MET  15 -15.000   4.234  -1.282
  122   3HE   MET  15          3HE       MET  15 -16.664   4.455  -0.740
  123    HA   PRO  16           HA       PRO  16 -14.560   0.083  -5.368
  124   1HB   PRO  16          1HB       PRO  16 -13.467   1.353  -7.540
  125   2HB   PRO  16          2HB       PRO  16 -14.768   2.024  -6.551
  126   1HG   PRO  16          1HG       PRO  16 -11.827   2.569  -6.433
  127   2HG   PRO  16          2HG       PRO  16 -13.181   3.711  -6.340
  128   1HD   PRO  16          1HD       PRO  16 -11.881   2.914  -4.142
  129   2HD   PRO  16          2HD       PRO  16 -13.637   3.179  -4.126
  130    H    ASP  17           H        ASP  17 -11.085   0.273  -5.210
  131    HA   ASP  17           HA       ASP  17 -10.838  -1.943  -7.117
  132   1HB   ASP  17          1HB       ASP  17  -8.394  -1.444  -7.040
  133   2HB   ASP  17          2HB       ASP  17  -9.372  -0.101  -7.622
  134    H    ILE  18           H        ILE  18 -11.096  -1.427  -3.833
  135    HA   ILE  18           HA       ILE  18  -9.284  -3.538  -3.022
  136    HB   ILE  18           HB       ILE  18 -10.924  -1.519  -1.637
  137   1HG1  ILE  18          1HG1      ILE  18  -8.442  -1.452  -1.907
  138   2HG1  ILE  18          2HG1      ILE  18  -8.978  -1.346  -0.233
  139   1HG2  ILE  18          1HG2      ILE  18 -10.872  -2.789   0.516
  140   2HG2  ILE  18          2HG2      ILE  18 -10.488  -4.237  -0.414
  141   3HG2  ILE  18          3HG2      ILE  18 -12.020  -3.402  -0.673
  142   1HD1  ILE  18          1HD1      ILE  18  -7.897  -3.805  -1.588
  143   2HD1  ILE  18          2HD1      ILE  18  -8.433  -3.701   0.088
  144   3HD1  ILE  18          3HD1      ILE  18  -7.033  -2.775  -0.448
  145    H    MET  19           H        MET  19 -12.789  -3.037  -3.241
  146    HA   MET  19           HA       MET  19 -13.732  -5.332  -2.085
  147   1HB   MET  19          1HB       MET  19 -14.815  -4.097  -4.623
  148   2HB   MET  19          2HB       MET  19 -15.693  -5.150  -3.526
  149   1HG   MET  19          1HG       MET  19 -15.500  -3.479  -1.760
  150   2HG   MET  19          2HG       MET  19 -14.614  -2.423  -2.859
  151   1HE   MET  19          1HE       MET  19 -17.124  -1.404  -1.283
  152   2HE   MET  19          2HE       MET  19 -18.037  -0.568  -2.538
  153   3HE   MET  19          3HE       MET  19 -16.282  -0.404  -2.467
  154    HA   PRO  20           HA       PRO  20 -13.180  -7.691  -6.380
  155   1HB   PRO  20          1HB       PRO  20 -10.742  -6.252  -7.294
  156   2HB   PRO  20          2HB       PRO  20 -12.088  -6.895  -8.241
  157   1HG   PRO  20          1HG       PRO  20 -11.872  -4.284  -7.837
  158   2HG   PRO  20          2HG       PRO  20 -13.458  -5.075  -7.767
  159   1HD   PRO  20          1HD       PRO  20 -11.698  -4.160  -5.526
  160   2HD   PRO  20          2HD       PRO  20 -13.459  -4.039  -5.697
  161    H    CYS  21           H        CYS  21 -10.170  -6.318  -5.031
  162    HA   CYS  21           HA       CYS  21  -8.605  -8.614  -5.215
  163   1HB   CYS  21          1HB       CYS  21  -8.414  -6.455  -3.107
  164   2HB   CYS  21          2HB       CYS  21  -7.134  -7.565  -3.585
  165    H    ALA  22           H        ALA  22 -10.663  -7.509  -2.540
  166    HA   ALA  22           HA       ALA  22 -10.008  -9.451  -0.663
  167   1HB   ALA  22          1HB       ALA  22 -11.436  -7.456  -0.253
  168   2HB   ALA  22          2HB       ALA  22 -12.105  -8.951   0.403
  169   3HB   ALA  22          3HB       ALA  22 -12.753  -8.276  -1.091
  170    H    ASP  23           H        ASP  23 -12.506  -9.561  -3.191
  171    HA   ASP  23           HA       ASP  23 -13.282 -12.244  -2.517
  172   1HB   ASP  23          1HB       ASP  23 -13.922 -10.539  -4.934
  173   2HB   ASP  23          2HB       ASP  23 -14.662 -12.098  -4.579
  174    H    GLU  24           H        GLU  24 -10.790 -10.824  -4.308
  175    HA   GLU  24           HA       GLU  24 -10.408 -12.676  -6.370
  176   1HB   GLU  24          1HB       GLU  24  -9.268 -10.393  -5.950
  177   2HB   GLU  24          2HB       GLU  24  -8.125 -11.308  -4.980
  178   1HG   GLU  24          1HG       GLU  24  -7.250 -10.997  -7.198
  179   2HG   GLU  24          2HG       GLU  24  -7.606 -12.702  -6.932
  180    H    LEU  25           H        LEU  25  -8.999 -12.607  -3.068
  181    HA   LEU  25           HA       LEU  25  -7.995 -15.335  -3.571
  182   1HB   LEU  25          1HB       LEU  25  -7.365 -13.694  -1.141
  183   2HB   LEU  25          2HB       LEU  25  -6.416 -14.975  -1.880
  184    HG   LEU  25           HG       LEU  25  -6.795 -12.189  -2.987
  185   1HD1  LEU  25          1HD1      LEU  25  -5.360 -12.248  -1.024
  186   2HD1  LEU  25          2HD1      LEU  25  -4.422 -11.918  -2.479
  187   3HD1  LEU  25          3HD1      LEU  25  -4.390 -13.526  -1.756
  188   1HD2  LEU  25          1HD2      LEU  25  -6.573 -13.838  -4.770
  189   2HD2  LEU  25          2HD2      LEU  25  -5.114 -14.473  -4.011
  190   3HD2  LEU  25          3HD2      LEU  25  -5.132 -12.829  -4.652
  191    H    HIS  26           H        HIS  26  -9.841 -13.433  -1.212
  192    HA   HIS  26           HA       HIS  26 -11.678 -15.412  -0.586
  193   1HB   HIS  26          1HB       HIS  26 -10.687 -15.681   1.910
  194   2HB   HIS  26          2HB       HIS  26 -10.395 -16.843   0.623
  195    HD1  HIS  26           1HD      HIS  26  -8.032 -17.467   0.367
  196    HD2  HIS  26           2HD      HIS  26  -8.431 -13.656   1.971
  197    HE1  HIS  26           1HE      HIS  26  -5.689 -16.688   0.842
  198    HE2  HIS  26           2HE      HIS  26  -5.964 -14.421   1.903
  199    H    ILE  27           H        ILE  27  -9.716 -13.106   1.228
  200    HA   ILE  27           HA       ILE  27 -12.020 -11.381   1.694
  201    HB   ILE  27           HB       ILE  27 -11.162 -11.255   4.169
  202   1HG1  ILE  27          1HG1      ILE  27 -10.604 -14.155   3.863
  203   2HG1  ILE  27          2HG1      ILE  27  -9.345 -13.056   3.304
  204   1HG2  ILE  27          1HG2      ILE  27 -12.778 -12.979   4.826
  205   2HG2  ILE  27          2HG2      ILE  27 -12.800 -13.587   3.171
  206   3HG2  ILE  27          3HG2      ILE  27 -13.403 -11.967   3.524
  207   1HD1  ILE  27          1HD1      ILE  27 -10.556 -13.070   6.064
  208   2HD1  ILE  27          2HD1      ILE  27  -9.242 -12.036   5.503
  209   3HD1  ILE  27          3HD1      ILE  27  -9.004 -13.780   5.617
  210    H    SER  28           H        SER  28 -11.314  -9.285   2.699
  211    HA   SER  28           HA       SER  28  -8.797  -8.462   1.536
  212   1HB   SER  28          1HB       SER  28  -9.488  -6.213   1.984
  213   2HB   SER  28          2HB       SER  28 -10.904  -7.079   1.391
  214    HG   SER  28           HG       SER  28 -10.436  -5.952   3.846
  215    H    GLU  29           H        GLU  29  -7.070  -7.546   2.658
  216    HA   GLU  29           HA       GLU  29  -6.380  -8.738   5.093
  217   1HB   GLU  29          1HB       GLU  29  -4.576  -6.927   5.127
  218   2HB   GLU  29          2HB       GLU  29  -4.599  -8.020   3.753
  219   1HG   GLU  29          1HG       GLU  29  -4.192  -5.814   2.959
  220   2HG   GLU  29          2HG       GLU  29  -5.814  -6.290   2.459
  221    H    ASP  30           H        ASP  30  -8.274  -5.955   4.411
  222    HA   ASP  30           HA       ASP  30  -7.919  -4.683   6.968
  223   1HB   ASP  30          1HB       ASP  30  -8.506  -3.402   4.923
  224   2HB   ASP  30          2HB       ASP  30 -10.061  -4.227   4.877
  225    H    ILE  31           H        ILE  31 -10.662  -6.305   5.377
  226    HA   ILE  31           HA       ILE  31 -12.228  -6.485   7.736
  227    HB   ILE  31           HB       ILE  31 -12.421  -8.208   5.258
  228   1HG1  ILE  31          1HG1      ILE  31 -12.481  -5.800   4.707
  229   2HG1  ILE  31          2HG1      ILE  31 -14.030  -6.581   4.410
  230   1HG2  ILE  31          1HG2      ILE  31 -13.708  -9.119   7.072
  231   2HG2  ILE  31          2HG2      ILE  31 -14.809  -8.388   5.905
  232   3HG2  ILE  31          3HG2      ILE  31 -14.428  -7.545   7.406
  233   1HD1  ILE  31          1HD1      ILE  31 -14.917  -5.648   6.461
  234   2HD1  ILE  31          2HD1      ILE  31 -14.273  -4.372   5.428
  235   3HD1  ILE  31          3HD1      ILE  31 -13.354  -4.923   6.829
  236    H    ALA  32           H        ALA  32  -9.438  -8.033   6.803
  237    HA   ALA  32           HA       ALA  32  -9.696 -10.684   7.488
  238   1HB   ALA  32          1HB       ALA  32  -7.671  -9.708   6.519
  239   2HB   ALA  32          2HB       ALA  32  -7.311 -10.671   7.951
  240   3HB   ALA  32          3HB       ALA  32  -7.326  -8.911   8.055
  241    H    THR  33           H        THR  33  -9.115  -7.917   9.635
  242    HA   THR  33           HA       THR  33 -10.392  -9.189  11.829
  243    HB   THR  33           HB       THR  33  -8.444 -10.484  12.133
  244    HG1  THR  33           1HG      THR  33  -7.891  -8.314  13.858
  245   1HG2  THR  33          1HG2      THR  33  -6.963  -9.202  10.639
  246   2HG2  THR  33          2HG2      THR  33  -6.185  -9.589  12.173
  247   3HG2  THR  33          3HG2      THR  33  -6.800  -7.962  11.883
  248    H    ASN  34           H        ASN  34 -11.530  -7.391  12.258
  249    HA   ASN  34           HA       ASN  34 -12.028  -5.186  12.654
  250   1HB   ASN  34          1HB       ASN  34 -10.875  -4.345  14.721
  251   2HB   ASN  34          2HB       ASN  34 -11.599  -5.939  14.876
  252   1HD2  ASN  34          1HD2      ASN  34 -10.289  -7.730  15.103
  253   2HD2  ASN  34          2HD2      ASN  34  -8.607  -7.608  15.473
  254    H    ILE  35           H        ILE  35 -11.248  -4.497  10.548
  255    HA   ILE  35           HA       ILE  35 -10.108  -3.098   9.167
  256    HB   ILE  35           HB       ILE  35  -9.348  -1.698  11.735
  257   1HG1  ILE  35          1HG1      ILE  35 -11.691  -1.171   9.893
  258   2HG1  ILE  35          2HG1      ILE  35 -11.807  -2.051  11.414
  259   1HG2  ILE  35          1HG2      ILE  35  -9.136   0.293  10.303
  260   2HG2  ILE  35          2HG2      ILE  35  -9.439  -0.711   8.885
  261   3HG2  ILE  35          3HG2      ILE  35  -7.993  -0.973   9.860
  262   1HD1  ILE  35          1HD1      ILE  35 -11.086  -0.062  12.622
  263   2HD1  ILE  35          2HD1      ILE  35 -12.529   0.255  11.659
  264   3HD1  ILE  35          3HD1      ILE  35 -10.954   0.818  11.099
  265    H    GLN  36           H        GLN  36  -7.807  -2.522  11.760
  266    HA   GLN  36           HA       GLN  36  -5.622  -3.008  12.026
  267   1HB   GLN  36          1HB       GLN  36  -6.639  -5.399  11.570
  268   2HB   GLN  36          2HB       GLN  36  -5.745  -5.255  10.064
  269   1HG   GLN  36          1HG       GLN  36  -4.480  -6.429  11.798
  270   2HG   GLN  36          2HG       GLN  36  -3.679  -4.952  11.268
  271   1HE2  GLN  36          1HE2      GLN  36  -5.396  -6.518  13.853
  272   2HE2  GLN  36          2HE2      GLN  36  -4.981  -5.385  15.088
  273    H    ALA  37           H        ALA  37  -3.612  -2.700  11.020
  274    HA   ALA  37           HA       ALA  37  -3.832  -1.131   8.606
  275   1HB   ALA  37          1HB       ALA  37  -1.371  -1.641  10.241
  276   2HB   ALA  37          2HB       ALA  37  -2.589  -0.435  10.657
  277   3HB   ALA  37          3HB       ALA  37  -1.690  -0.298   9.143
  278    H    ALA  38           H        ALA  38  -1.262  -3.439   9.534
  279    HA   ALA  38           HA       ALA  38  -1.646  -4.960   7.104
  280   1HB   ALA  38          1HB       ALA  38   0.581  -4.527   6.205
  281   2HB   ALA  38          2HB       ALA  38   0.857  -3.338   7.474
  282   3HB   ALA  38          3HB       ALA  38  -0.394  -3.058   6.261
  283    H    LYS  39           H        LYS  39   1.596  -4.796   8.218
  284    HA   LYS  39           HA       LYS  39   1.557  -7.499   9.088
  285   1HB   LYS  39          1HB       LYS  39   3.876  -7.229   9.581
  286   2HB   LYS  39          2HB       LYS  39   3.554  -6.307   8.120
  287   1HG   LYS  39          1HG       LYS  39   3.628  -4.247   9.308
  288   2HG   LYS  39          2HG       LYS  39   3.659  -5.080  10.865
  289   1HD   LYS  39          1HD       LYS  39   5.837  -6.067  10.264
  290   2HD   LYS  39          2HD       LYS  39   5.809  -5.162   8.750
  291   1HE   LYS  39          1HE       LYS  39   5.778  -3.065   9.999
  292   2HE   LYS  39          2HE       LYS  39   5.777  -3.962  11.516
  293   1HZ   LYS  39          1HZ       LYS  39   7.992  -3.205  10.981
  294   2HZ   LYS  39          2HZ       LYS  39   7.938  -3.978   9.479
  295   3HZ   LYS  39          3HZ       LYS  39   7.936  -4.894  10.901
  296    H    ASN  40           H        ASN  40   0.401  -4.778  10.472
  297    HA   ASN  40           HA       ASN  40   1.159  -5.280  13.205
  298   1HB   ASN  40          1HB       ASN  40   0.394  -3.033  11.899
  299   2HB   ASN  40          2HB       ASN  40  -1.138  -3.503  12.638
  300   1HD2  ASN  40          1HD2      ASN  40   2.217  -2.741  13.269
  301   2HD2  ASN  40          2HD2      ASN  40   1.997  -2.241  14.911
  302    H    GLY  41           H        GLY  41  -0.277  -7.353  11.634
  303   1HA   GLY  41          1HA       GLY  41  -1.528  -9.038  12.908
  304   2HA   GLY  41          2HA       GLY  41  -2.506  -7.729  13.542
  305    H    ALA  42           H        ALA  42  -2.145  -6.863  10.439
  306    HA   ALA  42           HA       ALA  42  -4.746  -7.911   9.700
  307   1HB   ALA  42          1HB       ALA  42  -4.047  -5.560   9.216
  308   2HB   ALA  42          2HB       ALA  42  -4.627  -6.448   7.808
  309   3HB   ALA  42          3HB       ALA  42  -2.897  -6.198   8.041
  310    H    ASP  43           H        ASP  43  -2.389  -9.678   9.983
  311    HA   ASP  43           HA       ASP  43  -1.573 -11.558   9.034
  312   1HB   ASP  43          1HB       ASP  43  -4.007 -11.806   8.361
  313   2HB   ASP  43          2HB       ASP  43  -3.548 -11.155   6.789
  314    H    MET  44           H        MET  44   0.355 -10.240   8.688
  315    HA   MET  44           HA       MET  44   1.096  -8.829   6.447
  316   1HB   MET  44          1HB       MET  44   2.523  -9.120   8.430
  317   2HB   MET  44          2HB       MET  44   2.786 -10.805   8.003
  318   1HG   MET  44          1HG       MET  44   3.840 -10.034   5.887
  319   2HG   MET  44          2HG       MET  44   3.704  -8.381   6.480
  320   1HE   MET  44          1HE       MET  44   6.305 -11.649   8.445
  321   2HE   MET  44          2HE       MET  44   5.362 -11.887   6.972
  322   3HE   MET  44          3HE       MET  44   4.544 -11.666   8.517
  323    H    SER  45           H        SER  45   0.915 -12.311   6.896
  324    HA   SER  45           HA       SER  45   2.227 -13.288   4.698
  325   1HB   SER  45          1HB       SER  45   1.241 -14.707   6.446
  326   2HB   SER  45          2HB       SER  45  -0.373 -14.328   5.845
  327    HG   SER  45           HG       SER  45  -0.115 -15.844   4.429
  328    H    GLN  46           H        GLN  46  -1.257 -12.443   4.801
  329    HA   GLN  46           HA       GLN  46  -1.399 -12.702   1.915
  330   1HB   GLN  46          1HB       GLN  46  -3.201 -13.369   3.704
  331   2HB   GLN  46          2HB       GLN  46  -3.666 -11.678   3.564
  332   1HG   GLN  46          1HG       GLN  46  -4.956 -13.177   2.099
  333   2HG   GLN  46          2HG       GLN  46  -4.086 -11.926   1.220
  334   1HE2  GLN  46          1HE2      GLN  46  -2.343 -12.491  -0.074
  335   2HE2  GLN  46          2HE2      GLN  46  -2.035 -14.122  -0.555
  336    H    LEU  47           H        LEU  47  -0.679 -10.296   4.148
  337    HA   LEU  47           HA       LEU  47  -1.807  -8.029   2.898
  338   1HB   LEU  47          1HB       LEU  47  -0.646  -8.345   5.233
  339   2HB   LEU  47          2HB       LEU  47   0.808  -7.934   4.356
  340    HG   LEU  47           HG       LEU  47  -0.111  -5.997   5.503
  341   1HD1  LEU  47          1HD1      LEU  47  -0.049  -4.438   3.705
  342   2HD1  LEU  47          2HD1      LEU  47  -0.505  -5.681   2.542
  343   3HD1  LEU  47          3HD1      LEU  47   1.070  -5.746   3.326
  344   1HD2  LEU  47          1HD2      LEU  47  -2.525  -6.370   3.751
  345   2HD2  LEU  47          2HD2      LEU  47  -2.245  -5.044   4.881
  346   3HD2  LEU  47          3HD2      LEU  47  -2.456  -6.690   5.483
  347    H    GLY  48           H        GLY  48   1.204  -9.788   2.428
  348   1HA   GLY  48          1HA       GLY  48   2.322  -7.884   0.613
  349   2HA   GLY  48          2HA       GLY  48   2.882  -9.533   0.869
  350    H    CYS  49           H        CYS  49  -0.381  -9.617   0.234
  351    HA   CYS  49           HA       CYS  49   0.002  -9.799  -2.663
  352   1HB   CYS  49          1HB       CYS  49  -0.646 -11.958  -0.822
  353   2HB   CYS  49          2HB       CYS  49  -1.793 -11.803  -2.145
  354    H    LEU  50           H        LEU  50  -2.663 -10.489  -0.411
  355    HA   LEU  50           HA       LEU  50  -4.753  -9.595  -1.920
  356   1HB   LEU  50          1HB       LEU  50  -4.799 -10.660   0.389
  357   2HB   LEU  50          2HB       LEU  50  -4.534  -9.060   1.039
  358    HG   LEU  50           HG       LEU  50  -6.897  -9.761   1.135
  359   1HD1  LEU  50          1HD1      LEU  50  -7.861  -7.725   0.289
  360   2HD1  LEU  50          2HD1      LEU  50  -6.467  -7.455  -0.753
  361   3HD1  LEU  50          3HD1      LEU  50  -6.287  -7.374   0.999
  362   1HD2  LEU  50          1HD2      LEU  50  -6.966 -11.136  -0.865
  363   2HD2  LEU  50          2HD2      LEU  50  -6.725  -9.708  -1.873
  364   3HD2  LEU  50          3HD2      LEU  50  -8.205  -9.881  -0.930
  365    H    LYS  51           H        LYS  51  -2.828  -7.658   0.356
  366    HA   LYS  51           HA       LYS  51  -4.049  -5.197  -0.442
  367   1HB   LYS  51          1HB       LYS  51  -3.034  -5.555   1.804
  368   2HB   LYS  51          2HB       LYS  51  -1.453  -5.642   1.047
  369   1HG   LYS  51          1HG       LYS  51  -1.374  -3.466   1.594
  370   2HG   LYS  51          2HG       LYS  51  -2.283  -3.273   0.094
  371   1HD   LYS  51          1HD       LYS  51  -3.618  -3.660   2.762
  372   2HD   LYS  51          2HD       LYS  51  -3.186  -2.068   2.141
  373   1HE   LYS  51          1HE       LYS  51  -4.535  -2.563   0.111
  374   2HE   LYS  51          2HE       LYS  51  -5.055  -4.066   0.876
  375   1HZ   LYS  51          1HZ       LYS  51  -6.695  -2.341   1.192
  376   2HZ   LYS  51          2HZ       LYS  51  -5.547  -1.319   1.898
  377   3HZ   LYS  51          3HZ       LYS  51  -6.006  -2.745   2.684
  378    H    ALA  52           H        ALA  52  -1.413  -7.167  -1.539
  379    HA   ALA  52           HA       ALA  52  -0.023  -5.085  -2.947
  380   1HB   ALA  52          1HB       ALA  52   0.124  -8.050  -3.471
  381   2HB   ALA  52          2HB       ALA  52   1.022  -7.232  -2.191
  382   3HB   ALA  52          3HB       ALA  52   1.323  -6.823  -3.880
  383    H    CYS  53           H        CYS  53  -2.881  -6.797  -3.465
  384    HA   CYS  53           HA       CYS  53  -2.932  -7.005  -6.275
  385   1HB   CYS  53          1HB       CYS  53  -4.556  -8.260  -5.126
  386   2HB   CYS  53          2HB       CYS  53  -5.062  -6.884  -4.155
  387    H    VAL  54           H        VAL  54  -3.836  -4.434  -4.042
  388    HA   VAL  54           HA       VAL  54  -5.006  -2.720  -5.973
  389    HB   VAL  54           HB       VAL  54  -3.760  -2.018  -3.310
  390   1HG1  VAL  54          1HG1      VAL  54  -5.271  -0.038  -3.445
  391   2HG1  VAL  54          2HG1      VAL  54  -5.597  -0.467  -5.124
  392   3HG1  VAL  54          3HG1      VAL  54  -3.962  -0.033  -4.624
  393   1HG2  VAL  54          1HG2      VAL  54  -6.046  -2.103  -2.447
  394   2HG2  VAL  54          2HG2      VAL  54  -5.550  -3.664  -3.101
  395   3HG2  VAL  54          3HG2      VAL  54  -6.626  -2.622  -4.029
  396    H    MET  55           H        MET  55  -1.740  -3.320  -4.939
  397    HA   MET  55           HA       MET  55  -0.483  -0.988  -5.819
  398   1HB   MET  55          1HB       MET  55   0.565  -3.823  -5.769
  399   2HB   MET  55          2HB       MET  55   1.558  -2.390  -5.990
  400   1HG   MET  55          1HG       MET  55   0.992  -1.604  -3.786
  401   2HG   MET  55          2HG       MET  55  -0.131  -2.945  -3.563
  402   1HE   MET  55          1HE       MET  55   4.442  -3.479  -3.915
  403   2HE   MET  55          2HE       MET  55   3.643  -1.908  -3.964
  404   3HE   MET  55          3HE       MET  55   3.406  -3.059  -5.279
  405    H    LYS  56           H        LYS  56  -1.324  -3.947  -7.545
  406    HA   LYS  56           HA       LYS  56  -0.130  -3.064 -10.009
  407   1HB   LYS  56          1HB       LYS  56  -2.110  -5.313  -9.782
  408   2HB   LYS  56          2HB       LYS  56  -0.768  -5.135 -10.907
  409   1HG   LYS  56          1HG       LYS  56   0.811  -5.469  -9.065
  410   2HG   LYS  56          2HG       LYS  56  -0.542  -5.681  -7.955
  411   1HD   LYS  56          1HD       LYS  56  -0.050  -7.402 -10.384
  412   2HD   LYS  56          2HD       LYS  56   0.468  -7.817  -8.749
  413   1HE   LYS  56          1HE       LYS  56  -1.856  -7.764  -7.996
  414   2HE   LYS  56          2HE       LYS  56  -2.379  -7.334  -9.624
  415   1HZ   LYS  56          1HZ       LYS  56  -2.655  -9.697  -9.175
  416   2HZ   LYS  56          2HZ       LYS  56  -0.999  -9.856  -8.875
  417   3HZ   LYS  56          3HZ       LYS  56  -1.541  -9.444 -10.423
  418    H    ARG  57           H        ARG  57  -3.094  -2.531  -8.430
  419    HA   ARG  57           HA       ARG  57  -4.766  -2.233 -10.722
  420   1HB   ARG  57          1HB       ARG  57  -5.055  -1.155  -7.912
  421   2HB   ARG  57          2HB       ARG  57  -6.301  -1.058  -9.148
  422   1HG   ARG  57          1HG       ARG  57  -5.147  -3.694  -8.334
  423   2HG   ARG  57          2HG       ARG  57  -6.431  -2.933  -7.396
  424   1HD   ARG  57          1HD       ARG  57  -7.420  -4.468  -8.953
  425   2HD   ARG  57          2HD       ARG  57  -7.800  -2.827  -9.468
  426    HE   ARG  57           HE       ARG  57  -5.474  -3.673 -10.785
  427   1HH1  ARG  57          1HH1      ARG  57  -8.888  -4.357 -10.693
  428   2HH1  ARG  57          2HH1      ARG  57  -8.961  -4.870 -12.345
  429   1HH2  ARG  57          1HH2      ARG  57  -5.560  -4.353 -12.962
  430   2HH2  ARG  57          2HH2      ARG  57  -7.069  -4.872 -13.634
  431    H    ILE  58           H        ILE  58  -2.883   0.019  -8.739
  432    HA   ILE  58           HA       ILE  58  -3.653   2.249 -10.453
  433    HB   ILE  58           HB       ILE  58  -2.272   3.615  -8.880
  434   1HG1  ILE  58          1HG1      ILE  58  -2.131   1.048  -7.283
  435   2HG1  ILE  58          2HG1      ILE  58  -0.778   1.744  -8.173
  436   1HG2  ILE  58          1HG2      ILE  58  -4.674   3.409  -8.594
  437   2HG2  ILE  58          2HG2      ILE  58  -3.871   3.479  -7.026
  438   3HG2  ILE  58          3HG2      ILE  58  -4.452   1.934  -7.650
  439   1HD1  ILE  58          1HD1      ILE  58  -0.666   2.247  -5.790
  440   2HD1  ILE  58          2HD1      ILE  58  -2.229   3.056  -5.885
  441   3HD1  ILE  58          3HD1      ILE  58  -0.841   3.713  -6.755
  442    H    GLU  59           H        GLU  59  -1.884  -0.008 -11.347
  443    HA   GLU  59           HA       GLU  59  -0.032  -0.329 -12.626
  444   1HB   GLU  59          1HB       GLU  59  -0.307   2.660 -12.969
  445   2HB   GLU  59          2HB       GLU  59   0.791   1.655 -13.908
  446   1HG   GLU  59          1HG       GLU  59  -1.123   0.385 -14.763
  447   2HG   GLU  59          2HG       GLU  59  -2.211   1.429 -13.849
  448    H    MET  60           H        MET  60   0.320   0.157  -9.769
  449    HA   MET  60           HA       MET  60   2.945   1.463  -9.685
  450   1HB   MET  60          1HB       MET  60   1.202   2.120  -8.020
  451   2HB   MET  60          2HB       MET  60   1.236   0.481  -7.389
  452   1HG   MET  60          1HG       MET  60   3.621   0.785  -6.832
  453   2HG   MET  60          2HG       MET  60   3.505   2.455  -7.381
  454   1HE   MET  60          1HE       MET  60   3.763   2.508  -3.399
  455   2HE   MET  60          2HE       MET  60   4.543   3.048  -4.885
  456   3HE   MET  60          3HE       MET  60   4.481   1.328  -4.495
  457    H    LEU  61           H        LEU  61   1.749  -1.517 -10.273
  458    HA   LEU  61           HA       LEU  61   4.241  -2.799  -9.641
  459   1HB   LEU  61          1HB       LEU  61   3.076  -3.018  -7.508
  460   2HB   LEU  61          2HB       LEU  61   1.694  -3.729  -8.320
  461    HG   LEU  61           HG       LEU  61   3.110  -5.657  -8.981
  462   1HD1  LEU  61          1HD1      LEU  61   5.277  -4.575  -8.969
  463   2HD1  LEU  61          2HD1      LEU  61   5.280  -5.953  -7.869
  464   3HD1  LEU  61          3HD1      LEU  61   5.163  -4.315  -7.229
  465   1HD2  LEU  61          1HD2      LEU  61   1.716  -5.779  -6.989
  466   2HD2  LEU  61          2HD2      LEU  61   3.009  -5.070  -6.025
  467   3HD2  LEU  61          3HD2      LEU  61   3.223  -6.662  -6.750
  468    H    LYS  62           H        LYS  62   4.521  -3.400 -11.743
  469    HA   LYS  62           HA       LYS  62   2.355  -4.683 -13.187
  470   1HB   LYS  62          1HB       LYS  62   5.209  -4.096 -14.001
  471   2HB   LYS  62          2HB       LYS  62   3.974  -4.758 -15.063
  472   1HG   LYS  62          1HG       LYS  62   3.391  -2.195 -13.686
  473   2HG   LYS  62          2HG       LYS  62   4.551  -2.184 -15.015
  474   1HD   LYS  62          1HD       LYS  62   2.489  -1.737 -16.034
  475   2HD   LYS  62          2HD       LYS  62   2.772  -3.450 -16.345
  476   1HE   LYS  62          1HE       LYS  62   1.301  -4.044 -14.498
  477   2HE   LYS  62          2HE       LYS  62   1.050  -2.337 -14.132
  478   1HZ   LYS  62          1HZ       LYS  62   0.265  -3.699 -16.653
  479   2HZ   LYS  62          2HZ       LYS  62   0.027  -2.062 -16.306
  480   3HZ   LYS  62          3HZ       LYS  62  -0.786  -3.242 -15.409
  481    H    GLY  63           H        GLY  63   2.225  -6.477 -11.656
  482   1HA   GLY  63          1HA       GLY  63   2.467  -8.760 -11.383
  483   2HA   GLY  63          2HA       GLY  63   3.729  -8.736 -12.605
  484    H    THR  64           H        THR  64   5.727  -7.369 -11.726
  485    HA   THR  64           HA       THR  64   6.295  -7.969  -8.940
  486    HB   THR  64           HB       THR  64   8.311  -9.209  -9.365
  487    HG1  THR  64           1HG      THR  64   8.538  -9.802 -11.786
  488   1HG2  THR  64          1HG2      THR  64   6.104 -10.335 -11.095
  489   2HG2  THR  64          2HG2      THR  64   6.241 -10.534  -9.349
  490   3HG2  THR  64          3HG2      THR  64   7.455 -11.241 -10.414
  491    H    GLU  65           H        GLU  65   6.317  -5.820 -11.349
  492    HA   GLU  65           HA       GLU  65   8.916  -4.613 -10.766
  493   1HB   GLU  65          1HB       GLU  65   6.795  -3.772 -12.747
  494   2HB   GLU  65          2HB       GLU  65   8.431  -3.139 -12.639
  495   1HG   GLU  65          1HG       GLU  65   9.326  -5.332 -13.231
  496   2HG   GLU  65          2HG       GLU  65   7.685  -5.967 -13.339
  497    H    LEU  66           H        LEU  66   9.093  -3.094  -9.237
  498    HA   LEU  66           HA       LEU  66   6.750  -1.888  -8.080
  499   1HB   LEU  66          1HB       LEU  66   9.688  -1.441  -7.562
  500   2HB   LEU  66          2HB       LEU  66   8.407  -0.659  -6.662
  501    HG   LEU  66           HG       LEU  66   9.102  -3.593  -6.690
  502   1HD1  LEU  66          1HD1      LEU  66   9.268  -3.147  -4.224
  503   2HD1  LEU  66          2HD1      LEU  66   9.138  -1.431  -4.601
  504   3HD1  LEU  66          3HD1      LEU  66  10.496  -2.370  -5.220
  505   1HD2  LEU  66          1HD2      LEU  66   7.218  -3.909  -5.147
  506   2HD2  LEU  66          2HD2      LEU  66   6.674  -3.392  -6.742
  507   3HD2  LEU  66          3HD2      LEU  66   6.725  -2.236  -5.410
  508    H    TYR  67           H        TYR  67   6.273   0.337  -7.986
  509    HA   TYR  67           HA       TYR  67   7.683   2.101  -9.838
  510   1HB   TYR  67          1HB       TYR  67   4.774   1.354 -10.033
  511   2HB   TYR  67          2HB       TYR  67   5.364   2.893 -10.653
  512    HD1  TYR  67           1HD      TYR  67   5.395  -0.747 -11.106
  513    HD2  TYR  67           2HD      TYR  67   6.776   2.984 -12.618
  514    HE1  TYR  67           1HE      TYR  67   6.058  -1.847 -13.204
  515    HE2  TYR  67           2HE      TYR  67   7.439   1.894 -14.718
  516    HH   TYR  67           HH       TYR  67   8.041  -0.362 -15.512
  517    H    VAL  68           H        VAL  68   7.445   4.314  -9.379
  518    HA   VAL  68           HA       VAL  68   6.104   4.914  -6.829
  519    HB   VAL  68           HB       VAL  68   7.894   6.594  -6.436
  520   1HG1  VAL  68          1HG1      VAL  68   9.567   4.993  -5.681
  521   2HG1  VAL  68          2HG1      VAL  68   8.854   3.752  -6.712
  522   3HG1  VAL  68          3HG1      VAL  68   7.938   4.399  -5.351
  523   1HG2  VAL  68          1HG2      VAL  68   8.635   6.854  -8.754
  524   2HG2  VAL  68          2HG2      VAL  68   9.267   5.208  -8.733
  525   3HG2  VAL  68          3HG2      VAL  68   9.979   6.439  -7.689
  526    H    GLU  69           H        GLU  69   5.772   5.384  -9.975
  527    HA   GLU  69           HA       GLU  69   5.583   8.224 -10.172
  528   1HB   GLU  69          1HB       GLU  69   4.322   6.147 -11.965
  529   2HB   GLU  69          2HB       GLU  69   4.601   7.839 -12.352
  530   1HG   GLU  69          1HG       GLU  69   6.703   5.738 -11.884
  531   2HG   GLU  69          2HG       GLU  69   6.249   6.451 -13.431
  532    HA   PRO  70           HA       PRO  70   0.860   7.506  -9.723
  533   1HB   PRO  70          1HB       PRO  70  -0.072   5.140  -8.859
  534   2HB   PRO  70          2HB       PRO  70   0.294   5.435 -10.563
  535   1HG   PRO  70          1HG       PRO  70   1.918   4.010  -8.495
  536   2HG   PRO  70          2HG       PRO  70   1.625   3.570 -10.186
  537   1HD   PRO  70          1HD       PRO  70   3.903   4.806  -9.306
  538   2HD   PRO  70          2HD       PRO  70   3.276   4.958 -10.958
  539    H    VAL  71           H        VAL  71   3.021   6.069  -7.371
  540    HA   VAL  71           HA       VAL  71   1.272   6.414  -5.138
  541    HB   VAL  71           HB       VAL  71   3.302   4.830  -5.357
  542   1HG1  VAL  71          1HG1      VAL  71   4.695   7.291  -4.340
  543   2HG1  VAL  71          2HG1      VAL  71   5.004   6.460  -5.866
  544   3HG1  VAL  71          3HG1      VAL  71   5.366   5.662  -4.336
  545   1HG2  VAL  71          1HG2      VAL  71   1.897   4.946  -3.392
  546   2HG2  VAL  71          2HG2      VAL  71   2.771   6.369  -2.825
  547   3HG2  VAL  71          3HG2      VAL  71   3.589   4.810  -2.914
  548    H    TYR  72           H        TYR  72   4.014   8.246  -6.422
  549    HA   TYR  72           HA       TYR  72   4.089  10.225  -4.438
  550   1HB   TYR  72          1HB       TYR  72   4.829  10.373  -7.364
  551   2HB   TYR  72          2HB       TYR  72   5.152  11.662  -6.217
  552    HD1  TYR  72           1HD      TYR  72   7.378  10.714  -7.673
  553    HD2  TYR  72           2HD      TYR  72   5.643   9.008  -4.182
  554    HE1  TYR  72           1HE      TYR  72   9.535   9.676  -7.112
  555    HE2  TYR  72           2HE      TYR  72   7.794   7.969  -3.615
  556    HH   TYR  72           HH       TYR  72  10.703   8.820  -5.124
  557    H    LYS  73           H        LYS  73   1.856   9.659  -6.981
  558    HA   LYS  73           HA       LYS  73   0.822  12.352  -7.060
  559   1HB   LYS  73          1HB       LYS  73   0.806  11.005  -9.082
  560   2HB   LYS  73          2HB       LYS  73  -0.180   9.784  -8.292
  561   1HG   LYS  73          1HG       LYS  73  -1.502  11.170  -9.795
  562   2HG   LYS  73          2HG       LYS  73  -2.028  11.352  -8.122
  563   1HD   LYS  73          1HD       LYS  73  -1.960  13.513  -9.245
  564   2HD   LYS  73          2HD       LYS  73  -0.758  13.444  -7.958
  565   1HE   LYS  73          1HE       LYS  73   0.119  14.496 -10.000
  566   2HE   LYS  73          2HE       LYS  73   0.997  13.027  -9.577
  567   1HZ   LYS  73          1HZ       LYS  73  -1.116  13.260 -11.653
  568   2HZ   LYS  73          2HZ       LYS  73  -0.315  11.831 -11.234
  569   3HZ   LYS  73          3HZ       LYS  73   0.545  13.107 -11.937
  570    H    MET  74           H        MET  74  -0.261   9.220  -5.759
  571    HA   MET  74           HA       MET  74  -2.737  10.260  -4.802
  572   1HB   MET  74          1HB       MET  74  -2.944   8.117  -3.610
  573   2HB   MET  74          2HB       MET  74  -2.531   7.898  -5.306
  574   1HG   MET  74          1HG       MET  74  -0.180   7.581  -4.654
  575   2HG   MET  74          2HG       MET  74  -0.657   7.698  -2.963
  576   1HE   MET  74          1HE       MET  74  -3.448   6.180  -2.952
  577   2HE   MET  74          2HE       MET  74  -2.196   5.939  -1.733
  578   3HE   MET  74          3HE       MET  74  -2.932   4.547  -2.530
  579    H    ILE  75           H        ILE  75   0.405   9.575  -3.290
  580    HA   ILE  75           HA       ILE  75  -0.198   9.988  -0.641
  581    HB   ILE  75           HB       ILE  75   2.295  10.805  -2.141
  582   1HG1  ILE  75          1HG1      ILE  75   1.818   8.435  -0.328
  583   2HG1  ILE  75          2HG1      ILE  75   1.634   8.367  -2.077
  584   1HG2  ILE  75          1HG2      ILE  75   1.870  10.607   0.838
  585   2HG2  ILE  75          2HG2      ILE  75   2.145  12.088  -0.078
  586   3HG2  ILE  75          3HG2      ILE  75   3.418  10.873   0.037
  587   1HD1  ILE  75          1HD1      ILE  75   3.788   7.493  -1.360
  588   2HD1  ILE  75          2HD1      ILE  75   4.170   9.040  -0.603
  589   3HD1  ILE  75          3HD1      ILE  75   3.983   8.936  -2.354
  590    H    GLU  76           H        GLU  76  -0.168  12.282  -3.215
  591    HA   GLU  76           HA       GLU  76   0.226  14.668  -1.791
  592   1HB   GLU  76          1HB       GLU  76  -1.452  14.182  -4.257
  593   2HB   GLU  76          2HB       GLU  76  -0.965  15.764  -3.667
  594   1HG   GLU  76          1HG       GLU  76   1.432  14.908  -3.888
  595   2HG   GLU  76          2HG       GLU  76   0.738  13.597  -4.841
  596    H    VAL  77           H        VAL  77  -2.899  13.256  -2.825
  597    HA   VAL  77           HA       VAL  77  -4.314  14.972  -0.952
  598    HB   VAL  77           HB       VAL  77  -5.379  12.871  -2.848
  599   1HG1  VAL  77          1HG1      VAL  77  -6.818  14.981  -1.244
  600   2HG1  VAL  77          2HG1      VAL  77  -6.908  13.236  -1.006
  601   3HG1  VAL  77          3HG1      VAL  77  -7.557  13.959  -2.477
  602   1HG2  VAL  77          1HG2      VAL  77  -6.042  14.756  -4.251
  603   2HG2  VAL  77          2HG2      VAL  77  -4.296  14.726  -4.008
  604   3HG2  VAL  77          3HG2      VAL  77  -5.290  15.874  -3.112
  605    H    VAL  78           H        VAL  78  -3.471  11.610  -1.350
  606    HA   VAL  78           HA       VAL  78  -5.078  10.448   0.602
  607    HB   VAL  78           HB       VAL  78  -2.395   9.669  -0.533
  608   1HG1  VAL  78          1HG1      VAL  78  -4.084   8.080   1.401
  609   2HG1  VAL  78          2HG1      VAL  78  -2.464   8.709   1.696
  610   3HG1  VAL  78          3HG1      VAL  78  -2.712   7.446   0.491
  611   1HG2  VAL  78          1HG2      VAL  78  -5.183   8.583  -0.893
  612   2HG2  VAL  78          2HG2      VAL  78  -3.727   7.936  -1.650
  613   3HG2  VAL  78          3HG2      VAL  78  -4.278   9.563  -2.048
  614    H    HIS  79           H        HIS  79  -2.696  12.743   1.015
  615    HA   HIS  79           HA       HIS  79  -2.612  12.234   3.886
  616   1HB   HIS  79          1HB       HIS  79  -0.180  12.657   2.146
  617   2HB   HIS  79          2HB       HIS  79  -0.161  12.871   3.892
  618    HD1  HIS  79           1HD      HIS  79  -0.468  10.711   5.349
  619    HD2  HIS  79           2HD      HIS  79  -0.096  10.032   1.267
  620    HE1  HIS  79           1HE      HIS  79   0.001   8.250   5.116
  621    HE2  HIS  79           2HE      HIS  79   0.162   7.852   2.634
  622    H    ALA  80           H        ALA  80  -4.274  14.022   2.893
  623    HA   ALA  80           HA       ALA  80  -3.196  16.608   2.453
  624   1HB   ALA  80          1HB       ALA  80  -5.975  15.827   3.330
  625   2HB   ALA  80          2HB       ALA  80  -5.419  15.975   1.663
  626   3HB   ALA  80          3HB       ALA  80  -5.490  17.401   2.698
  627    H    GLY  81           H        GLY  81  -2.752  18.243   3.815
  628   1HA   GLY  81          1HA       GLY  81  -3.620  18.991   6.207
  629   2HA   GLY  81          2HA       GLY  81  -2.638  17.605   6.657
  630    H    ASN  82           H        ASN  82  -0.373  17.650   5.632
  631    HA   ASN  82           HA       ASN  82   0.684  20.400   5.727
  632   1HB   ASN  82          1HB       ASN  82   1.851  17.892   6.949
  633   2HB   ASN  82          2HB       ASN  82   2.739  19.402   6.784
  634   1HD2  ASN  82          1HD2      ASN  82   2.989  19.646   8.986
  635   2HD2  ASN  82          2HD2      ASN  82   1.680  20.074  10.028
  636    H    ALA  83           H        ALA  83   2.296  20.923   4.300
  637    HA   ALA  83           HA       ALA  83   2.413  19.496   1.868
  638   1HB   ALA  83          1HB       ALA  83   4.085  21.128   1.195
  639   2HB   ALA  83          2HB       ALA  83   4.273  21.650   2.869
  640   3HB   ALA  83          3HB       ALA  83   2.746  21.921   2.028
  641    H    ASP  84           H        ASP  84   4.384  19.392   4.749
  642    HA   ASP  84           HA       ASP  84   6.499  17.918   3.443
  643   1HB   ASP  84          1HB       ASP  84   6.088  18.385   6.401
  644   2HB   ASP  84          2HB       ASP  84   7.554  17.806   5.611
  645    H    ASP  85           H        ASP  85   3.588  17.271   5.203
  646    HA   ASP  85           HA       ASP  85   4.074  14.661   6.081
  647   1HB   ASP  85          1HB       ASP  85   2.022  16.161   6.516
  648   2HB   ASP  85          2HB       ASP  85   1.417  15.568   4.974
  649    H    ILE  86           H        ILE  86   3.374  15.998   2.972
  650    HA   ILE  86           HA       ILE  86   2.941  13.452   1.675
  651    HB   ILE  86           HB       ILE  86   3.318  16.225   0.514
  652   1HG1  ILE  86          1HG1      ILE  86   0.766  14.646   0.889
  653   2HG1  ILE  86          2HG1      ILE  86   1.317  15.900   1.996
  654   1HG2  ILE  86          1HG2      ILE  86   3.870  14.472  -1.095
  655   2HG2  ILE  86          2HG2      ILE  86   2.372  15.288  -1.539
  656   3HG2  ILE  86          3HG2      ILE  86   2.318  13.693  -0.791
  657   1HD1  ILE  86          1HD1      ILE  86   1.153  17.557   0.247
  658   2HD1  ILE  86          2HD1      ILE  86  -0.380  16.703   0.424
  659   3HD1  ILE  86          3HD1      ILE  86   0.696  16.315  -0.919
  660    H    GLN  87           H        GLN  87   5.515  15.657   2.348
  661    HA   GLN  87           HA       GLN  87   7.342  14.600   0.402
  662   1HB   GLN  87          1HB       GLN  87   8.215  16.625   0.783
  663   2HB   GLN  87          2HB       GLN  87   7.242  16.827   2.229
  664   1HG   GLN  87          1HG       GLN  87   8.890  15.737   3.563
  665   2HG   GLN  87          2HG       GLN  87   9.850  15.340   2.140
  666   1HE2  GLN  87          1HE2      GLN  87   8.212  18.390   2.594
  667   2HE2  GLN  87          2HE2      GLN  87   9.634  19.351   2.779
  668    H    LEU  88           H        LEU  88   6.373  13.831   3.596
  669    HA   LEU  88           HA       LEU  88   8.766  12.430   4.345
  670   1HB   LEU  88          1HB       LEU  88   7.320  13.444   6.031
  671   2HB   LEU  88          2HB       LEU  88   5.995  12.407   5.542
  672    HG   LEU  88           HG       LEU  88   7.347  10.435   6.263
  673   1HD1  LEU  88          1HD1      LEU  88   9.562  11.452   6.080
  674   2HD1  LEU  88          2HD1      LEU  88   9.282  10.803   7.696
  675   3HD1  LEU  88          3HD1      LEU  88   9.174  12.541   7.413
  676   1HD2  LEU  88          1HD2      LEU  88   6.791  12.533   8.357
  677   2HD2  LEU  88          2HD2      LEU  88   7.012  10.811   8.665
  678   3HD2  LEU  88          3HD2      LEU  88   5.635  11.366   7.711
  679    H    VAL  89           H        VAL  89   5.428  11.357   3.669
  680    HA   VAL  89           HA       VAL  89   5.863   8.628   3.670
  681    HB   VAL  89           HB       VAL  89   3.976  10.073   1.807
  682   1HG1  VAL  89          1HG1      VAL  89   4.173   7.736   1.271
  683   2HG1  VAL  89          2HG1      VAL  89   2.620   8.014   2.059
  684   3HG1  VAL  89          3HG1      VAL  89   3.949   7.289   2.963
  685   1HG2  VAL  89          1HG2      VAL  89   2.314   9.828   3.622
  686   2HG2  VAL  89          2HG2      VAL  89   3.644  10.901   4.050
  687   3HG2  VAL  89          3HG2      VAL  89   3.597   9.258   4.687
  688    H    LYS  90           H        LYS  90   6.411  10.959   1.096
  689    HA   LYS  90           HA       LYS  90   6.864   9.182  -1.016
  690   1HB   LYS  90          1HB       LYS  90   7.354  12.008  -0.439
  691   2HB   LYS  90          2HB       LYS  90   8.518  11.310  -1.554
  692   1HG   LYS  90          1HG       LYS  90   6.977  10.997  -3.189
  693   2HG   LYS  90          2HG       LYS  90   5.650  10.760  -2.053
  694   1HD   LYS  90          1HD       LYS  90   5.192  12.978  -1.919
  695   2HD   LYS  90          2HD       LYS  90   6.883  13.451  -2.120
  696   1HE   LYS  90          1HE       LYS  90   5.066  12.437  -4.306
  697   2HE   LYS  90          2HE       LYS  90   5.481  14.127  -4.026
  698   1HZ   LYS  90          1HZ       LYS  90   6.833  13.150  -5.776
  699   2HZ   LYS  90          2HZ       LYS  90   7.410  11.972  -4.707
  700   3HZ   LYS  90          3HZ       LYS  90   7.795  13.602  -4.458
  701    H    GLY  91           H        GLY  91   8.983  10.333   1.544
  702   1HA   GLY  91          1HA       GLY  91  11.344   9.151   0.368
  703   2HA   GLY  91          2HA       GLY  91  11.232   9.911   1.949
  704    H    ILE  92           H        ILE  92   8.866   8.176   2.584
  705    HA   ILE  92           HA       ILE  92  10.288   6.082   3.872
  706    HB   ILE  92           HB       ILE  92   7.311   6.403   3.472
  707   1HG1  ILE  92          1HG1      ILE  92   8.174   8.319   4.648
  708   2HG1  ILE  92          2HG1      ILE  92   7.364   7.280   5.812
  709   1HG2  ILE  92          1HG2      ILE  92   7.162   4.943   5.488
  710   2HG2  ILE  92          2HG2      ILE  92   8.892   4.636   5.324
  711   3HG2  ILE  92          3HG2      ILE  92   7.783   4.139   4.046
  712   1HD1  ILE  92          1HD1      ILE  92  10.326   7.577   5.396
  713   2HD1  ILE  92          2HD1      ILE  92   9.586   6.388   6.464
  714   3HD1  ILE  92          3HD1      ILE  92   9.379   8.110   6.784
  715    H    ALA  93           H        ALA  93   8.126   6.214   1.085
  716    HA   ALA  93           HA       ALA  93   7.975   3.454   0.585
  717   1HB   ALA  93          1HB       ALA  93   6.439   5.093  -0.390
  718   2HB   ALA  93          2HB       ALA  93   7.168   4.064  -1.623
  719   3HB   ALA  93          3HB       ALA  93   7.747   5.716  -1.395
  720    H    ASN  94           H        ASN  94  10.560   5.643   0.132
  721    HA   ASN  94           HA       ASN  94  11.823   4.292  -2.054
  722   1HB   ASN  94          1HB       ASN  94  12.282   6.651  -1.620
  723   2HB   ASN  94          2HB       ASN  94  12.939   6.252  -0.035
  724   1HD2  ASN  94          1HD2      ASN  94  14.954   5.284   0.116
  725   2HD2  ASN  94          2HD2      ASN  94  16.064   5.258  -1.207
  726    H    GLU  95           H        GLU  95  11.683   3.830   1.350
  727    HA   GLU  95           HA       GLU  95  14.110   2.277   1.523
  728   1HB   GLU  95          1HB       GLU  95  11.867   2.628   3.520
  729   2HB   GLU  95          2HB       GLU  95  13.427   1.886   3.848
  730   1HG   GLU  95          1HG       GLU  95  12.982   4.751   3.041
  731   2HG   GLU  95          2HG       GLU  95  13.312   4.177   4.674
  732    H    CYS  96           H        CYS  96  10.649   1.667   1.323
  733    HA   CYS  96           HA       CYS  96  10.709  -1.099   1.880
  734   1HB   CYS  96          1HB       CYS  96   8.712   0.231   0.054
  735   2HB   CYS  96          2HB       CYS  96   8.467  -1.144   1.125
  736    H    ILE  97           H        ILE  97  11.410   0.734  -0.996
  737    HA   ILE  97           HA       ILE  97  11.178  -1.442  -2.838
  738    HB   ILE  97           HB       ILE  97  12.684   1.157  -3.152
  739   1HG1  ILE  97          1HG1      ILE  97   9.916   0.482  -4.153
  740   2HG1  ILE  97          2HG1      ILE  97  10.206   1.323  -2.633
  741   1HG2  ILE  97          1HG2      ILE  97  11.720  -0.832  -5.205
  742   2HG2  ILE  97          2HG2      ILE  97  13.397  -0.516  -4.760
  743   3HG2  ILE  97          3HG2      ILE  97  12.450   0.734  -5.561
  744   1HD1  ILE  97          1HD1      ILE  97  10.959   2.276  -5.385
  745   2HD1  ILE  97          2HD1      ILE  97  11.360   3.105  -3.881
  746   3HD1  ILE  97          3HD1      ILE  97   9.672   2.908  -4.355
  747    H    GLU  98           H        GLU  98  13.787  -0.072  -0.920
  748    HA   GLU  98           HA       GLU  98  15.915  -1.399  -2.235
  749   1HB   GLU  98          1HB       GLU  98  15.737  -0.338   0.587
  750   2HB   GLU  98          2HB       GLU  98  17.220  -0.858  -0.199
  751   1HG   GLU  98          1HG       GLU  98  16.907   0.889  -1.900
  752   2HG   GLU  98          2HG       GLU  98  15.462   1.432  -1.048
  753    H    ASN  99           H        ASN  99  13.798  -2.321   0.418
  754    HA   ASN  99           HA       ASN  99  15.317  -4.763   0.877
  755   1HB   ASN  99          1HB       ASN  99  14.227  -4.937   2.885
  756   2HB   ASN  99          2HB       ASN  99  14.079  -3.201   2.638
  757   1HD2  ASN  99          1HD2      ASN  99  12.091  -2.357   1.913
  758   2HD2  ASN  99          2HD2      ASN  99  10.617  -3.225   2.154
  759    H    ALA 100           H        ALA 100  12.648  -3.689  -0.951
  760    HA   ALA 100           HA       ALA 100  11.990  -6.474  -1.628
  761   1HB   ALA 100          1HB       ALA 100  10.277  -5.519  -0.089
  762   2HB   ALA 100          2HB       ALA 100   9.640  -6.009  -1.659
  763   3HB   ALA 100          3HB       ALA 100   9.923  -4.303  -1.315
  764    H    LYS 101           H        LYS 101  13.745  -5.143  -3.155
  765    HA   LYS 101           HA       LYS 101  12.965  -3.426  -5.117
  766   1HB   LYS 101          1HB       LYS 101  14.670  -4.573  -6.586
  767   2HB   LYS 101          2HB       LYS 101  15.246  -4.032  -5.013
  768   1HG   LYS 101          1HG       LYS 101  16.125  -6.112  -4.999
  769   2HG   LYS 101          2HG       LYS 101  14.529  -6.476  -4.339
  770   1HD   LYS 101          1HD       LYS 101  13.762  -7.010  -6.645
  771   2HD   LYS 101          2HD       LYS 101  15.428  -6.811  -7.191
  772   1HE   LYS 101          1HE       LYS 101  14.662  -8.705  -4.990
  773   2HE   LYS 101          2HE       LYS 101  14.660  -9.177  -6.686
  774   1HZ   LYS 101          1HZ       LYS 101  17.001  -8.626  -6.817
  775   2HZ   LYS 101          2HZ       LYS 101  16.738  -9.758  -5.587
  776   3HZ   LYS 101          3HZ       LYS 101  17.008  -8.134  -5.196
  777    H    GLY 102           H        GLY 102  12.192  -6.821  -4.869
  778   1HA   GLY 102          1HA       GLY 102   9.915  -7.037  -6.160
  779   2HA   GLY 102          2HA       GLY 102  10.986  -6.811  -7.536
  780    H    GLU 103           H        GLU 103  10.229  -8.911  -4.813
  781    HA   GLU 103           HA       GLU 103  12.038 -10.976  -5.403
  782   1HB   GLU 103          1HB       GLU 103   9.400 -10.949  -3.946
  783   2HB   GLU 103          2HB       GLU 103  10.363 -12.410  -4.110
  784   1HG   GLU 103          1HG       GLU 103  10.793 -11.406  -1.979
  785   2HG   GLU 103          2HG       GLU 103  12.234 -11.270  -2.985
  786    H    THR 104           H        THR 104  10.924 -13.310  -5.806
  787    HA   THR 104           HA       THR 104  10.003 -13.156  -8.545
  788    HB   THR 104           HB       THR 104  11.696 -14.800  -8.080
  789    HG1  THR 104           1HG      THR 104   9.454 -16.462  -8.328
  790   1HG2  THR 104          1HG2      THR 104   9.750 -16.035  -6.128
  791   2HG2  THR 104          2HG2      THR 104  11.203 -15.139  -5.693
  792   3HG2  THR 104          3HG2      THR 104  11.339 -16.669  -6.556
  793    H    ASP 105           H        ASP 105   8.765 -14.305  -5.431
  794    HA   ASP 105           HA       ASP 105   6.218 -15.023  -6.653
  795   1HB   ASP 105          1HB       ASP 105   7.219 -16.533  -4.969
  796   2HB   ASP 105          2HB       ASP 105   7.117 -15.245  -3.772
  797    H    GLU 106           H        GLU 106   4.557 -13.676  -6.741
  798    HA   GLU 106           HA       GLU 106   4.477 -11.050  -6.228
  799   1HB   GLU 106          1HB       GLU 106   2.662 -12.167  -7.351
  800   2HB   GLU 106          2HB       GLU 106   2.199 -12.997  -5.874
  801   1HG   GLU 106          1HG       GLU 106   0.700 -11.145  -6.384
  802   2HG   GLU 106          2HG       GLU 106   1.554 -10.893  -4.862
  803    H    CYS 107           H        CYS 107   2.965 -13.294  -3.902
  804    HA   CYS 107           HA       CYS 107   2.506 -11.562  -1.846
  805   1HB   CYS 107          1HB       CYS 107   3.339 -14.462  -1.731
  806   2HB   CYS 107          2HB       CYS 107   2.801 -13.560  -0.320
  807    H    ASN 108           H        ASN 108   5.500 -13.431  -2.345
  808    HA   ASN 108           HA       ASN 108   6.900 -12.508  -0.126
  809   1HB   ASN 108          1HB       ASN 108   7.923 -13.336  -2.848
  810   2HB   ASN 108          2HB       ASN 108   8.959 -13.063  -1.450
  811   1HD2  ASN 108          1HD2      ASN 108   9.682 -15.160  -1.364
  812   2HD2  ASN 108          2HD2      ASN 108   8.680 -16.480  -0.878
  813    H    ILE 109           H        ILE 109   6.443 -11.045  -3.288
  814    HA   ILE 109           HA       ILE 109   8.358  -8.977  -3.014
  815    HB   ILE 109           HB       ILE 109   5.827  -8.930  -4.662
  816   1HG1  ILE 109          1HG1      ILE 109   8.586  -9.782  -5.538
  817   2HG1  ILE 109          2HG1      ILE 109   7.332 -10.914  -5.052
  818   1HG2  ILE 109          1HG2      ILE 109   8.408  -7.395  -4.932
  819   2HG2  ILE 109          2HG2      ILE 109   6.856  -6.741  -4.408
  820   3HG2  ILE 109          3HG2      ILE 109   7.052  -7.330  -6.060
  821   1HD1  ILE 109          1HD1      ILE 109   5.906 -10.085  -6.861
  822   2HD1  ILE 109          2HD1      ILE 109   7.432 -10.742  -7.453
  823   3HD1  ILE 109          3HD1      ILE 109   7.200  -8.996  -7.360
  824    H    GLY 110           H        GLY 110   4.908  -9.201  -2.273
  825   1HA   GLY 110          1HA       GLY 110   4.636  -6.457  -1.532
  826   2HA   GLY 110          2HA       GLY 110   3.472  -7.736  -1.233
  827    H    ASN 111           H        ASN 111   4.968  -9.464   0.350
  828    HA   ASN 111           HA       ASN 111   4.580  -8.494   2.888
  829   1HB   ASN 111          1HB       ASN 111   6.475 -10.605   1.876
  830   2HB   ASN 111          2HB       ASN 111   6.321 -10.242   3.594
  831   1HD2  ASN 111          1HD2      ASN 111   4.310 -10.597   4.614
  832   2HD2  ASN 111          2HD2      ASN 111   3.180 -11.730   3.965
  833    H    LYS 112           H        LYS 112   7.777  -8.784   1.343
  834    HA   LYS 112           HA       LYS 112   9.246  -7.438   3.267
  835   1HB   LYS 112          1HB       LYS 112   9.620  -7.795   0.307
  836   2HB   LYS 112          2HB       LYS 112  10.781  -6.893   1.268
  837   1HG   LYS 112          1HG       LYS 112  10.075  -9.529   2.342
  838   2HG   LYS 112          2HG       LYS 112  10.909  -9.550   0.787
  839   1HD   LYS 112          1HD       LYS 112  12.686  -8.150   1.730
  840   2HD   LYS 112          2HD       LYS 112  11.855  -8.148   3.287
  841   1HE   LYS 112          1HE       LYS 112  12.881 -10.601   1.865
  842   2HE   LYS 112          2HE       LYS 112  13.699  -9.782   3.196
  843   1HZ   LYS 112          1HZ       LYS 112  11.823 -10.277   4.620
  844   2HZ   LYS 112          2HZ       LYS 112  12.428 -11.707   3.949
  845   3HZ   LYS 112          3HZ       LYS 112  11.005 -11.024   3.343
  846    H    TYR 113           H        TYR 113   7.398  -6.164   0.566
  847    HA   TYR 113           HA       TYR 113   8.346  -3.499   0.740
  848   1HB   TYR 113          1HB       TYR 113   7.238  -4.540  -1.257
  849   2HB   TYR 113          2HB       TYR 113   5.706  -4.418  -0.399
  850    HD1  TYR 113           1HD      TYR 113   4.509  -2.380  -0.324
  851    HD2  TYR 113           2HD      TYR 113   8.480  -2.438  -1.852
  852    HE1  TYR 113           1HE      TYR 113   4.214  -0.088  -1.157
  853    HE2  TYR 113           2HE      TYR 113   8.196  -0.142  -2.689
  854    HH   TYR 113           HH       TYR 113   5.626   1.848  -1.752
  855    H    THR 114           H        THR 114   5.095  -4.740   1.578
  856    HA   THR 114           HA       THR 114   4.090  -2.510   2.780
  857    HB   THR 114           HB       THR 114   2.633  -4.348   2.415
  858    HG1  THR 114           1HG      THR 114   2.961  -3.854   5.204
  859   1HG2  THR 114          1HG2      THR 114   4.488  -6.072   2.972
  860   2HG2  THR 114          2HG2      THR 114   2.811  -6.479   3.330
  861   3HG2  THR 114          3HG2      THR 114   3.882  -5.947   4.624
  862    H    ASP 115           H        ASP 115   5.687  -5.162   4.578
  863    HA   ASP 115           HA       ASP 115   5.711  -4.347   7.106
  864   1HB   ASP 115          1HB       ASP 115   8.192  -5.221   5.610
  865   2HB   ASP 115          2HB       ASP 115   7.988  -5.264   7.362
  866    H    CYS 116           H        CYS 116   8.108  -3.102   4.779
  867    HA   CYS 116           HA       CYS 116   9.444  -1.340   6.414
  868   1HB   CYS 116          1HB       CYS 116  10.485  -1.461   4.396
  869   2HB   CYS 116          2HB       CYS 116   8.972  -1.547   3.501
  870    H    TYR 117           H        TYR 117   6.537  -0.663   4.471
  871    HA   TYR 117           HA       TYR 117   6.300   2.044   5.048
  872   1HB   TYR 117          1HB       TYR 117   4.692   0.027   3.827
  873   2HB   TYR 117          2HB       TYR 117   3.680   0.954   4.930
  874    HD1  TYR 117           1HD      TYR 117   3.294   3.336   4.560
  875    HD2  TYR 117           2HD      TYR 117   5.649   1.049   1.855
  876    HE1  TYR 117           1HE      TYR 117   3.114   5.134   2.891
  877    HE2  TYR 117           2HE      TYR 117   5.477   2.840   0.179
  878    HH   TYR 117           HH       TYR 117   4.002   4.718  -0.364
  879    H    ILE 118           H        ILE 118   5.337  -0.747   6.955
  880    HA   ILE 118           HA       ILE 118   3.926   0.843   8.898
  881    HB   ILE 118           HB       ILE 118   4.693  -2.070   8.862
  882   1HG1  ILE 118          1HG1      ILE 118   2.106  -2.213   8.817
  883   2HG1  ILE 118          2HG1      ILE 118   2.173  -0.517   8.356
  884   1HG2  ILE 118          1HG2      ILE 118   3.212  -2.306  10.836
  885   2HG2  ILE 118          2HG2      ILE 118   3.140  -0.547  10.946
  886   3HG2  ILE 118          3HG2      ILE 118   4.678  -1.383  11.165
  887   1HD1  ILE 118          1HD1      ILE 118   3.398  -1.047   6.369
  888   2HD1  ILE 118          2HD1      ILE 118   1.955  -2.055   6.445
  889   3HD1  ILE 118          3HD1      ILE 118   3.530  -2.738   6.853
  890    H    GLU 119           H        GLU 119   7.150  -0.392   8.472
  891    HA   GLU 119           HA       GLU 119   7.963  -0.148  11.190
  892   1HB   GLU 119          1HB       GLU 119   9.133  -1.586   9.566
  893   2HB   GLU 119          2HB       GLU 119   9.643  -0.158   8.678
  894   1HG   GLU 119          1HG       GLU 119  11.446  -0.978  10.052
  895   2HG   GLU 119          2HG       GLU 119  10.910   0.598  10.632
  896    H    LYS 120           H        LYS 120   8.358   1.924   8.334
  897    HA   LYS 120           HA       LYS 120   9.616   4.006   9.908
  898   1HB   LYS 120          1HB       LYS 120   8.849   3.890   6.988
  899   2HB   LYS 120          2HB       LYS 120   9.723   5.215   7.744
  900   1HG   LYS 120          1HG       LYS 120  10.757   2.402   7.824
  901   2HG   LYS 120          2HG       LYS 120  11.082   3.486   6.467
  902   1HD   LYS 120          1HD       LYS 120  12.025   5.127   8.082
  903   2HD   LYS 120          2HD       LYS 120  11.820   3.927   9.358
  904   1HE   LYS 120          1HE       LYS 120  13.313   2.403   8.177
  905   2HE   LYS 120          2HE       LYS 120  13.492   3.574   6.872
  906   1HZ   LYS 120          1HZ       LYS 120  14.480   5.118   8.469
  907   2HZ   LYS 120          2HZ       LYS 120  15.367   3.682   8.366
  908   3HZ   LYS 120          3HZ       LYS 120  14.350   3.956   9.690
  909    H    LEU 121           H        LEU 121   6.752   3.865   7.783
  910    HA   LEU 121           HA       LEU 121   5.750   6.311   9.025
  911   1HB   LEU 121          1HB       LEU 121   5.887   6.046   6.540
  912   2HB   LEU 121          2HB       LEU 121   4.646   4.816   6.660
  913    HG   LEU 121           HG       LEU 121   3.124   6.517   7.643
  914   1HD1  LEU 121          1HD1      LEU 121   3.704   8.884   7.352
  915   2HD1  LEU 121          2HD1      LEU 121   5.327   8.415   6.849
  916   3HD1  LEU 121          3HD1      LEU 121   4.781   8.076   8.492
  917   1HD2  LEU 121          1HD2      LEU 121   4.222   7.153   4.910
  918   2HD2  LEU 121          2HD2      LEU 121   2.631   7.607   5.524
  919   3HD2  LEU 121          3HD2      LEU 121   3.031   5.907   5.280
  920    H    PHE 122           H        PHE 122   5.294   2.979   9.396
  921    HA   PHE 122           HA       PHE 122   3.827   1.790  10.677
  922   1HB   PHE 122          1HB       PHE 122   3.383   3.071  12.470
  923   2HB   PHE 122          2HB       PHE 122   3.297   4.539  11.507
  924    HD1  PHE 122           1HD      PHE 122   1.349   1.566  12.553
  925    HD2  PHE 122           2HD      PHE 122   1.242   5.542  11.042
  926    HE1  PHE 122           1HE      PHE 122  -1.091   1.609  12.851
  927    HE2  PHE 122           2HE      PHE 122  -1.199   5.595  11.337
  928    HZ   PHE 122           HZ       PHE 122  -2.371   3.629  12.243
  929    H    SER 123           H        SER 123   2.738   3.946   8.213
  930    HA   SER 123           HA       SER 123   0.975   3.903   6.763
  931   1HB   SER 123          1HB       SER 123   2.209   1.944   5.985
  932   2HB   SER 123          2HB       SER 123   1.372   0.928   7.159
  933    HG   SER 123           HG       SER 123   0.168   2.352   5.016
  934   1H4   TSD 124          1H4       TSP 124   1.411  -1.069  -1.459
  935   2H4   TSD 124          2H4       TSP 124  -0.050  -1.868  -0.926
  936   3H4   TSD 124          3H4       TSP 124   1.383  -1.911   0.073
  937   1H5   TSD 124          1H5       TSP 124  -1.322   1.809  -0.622
  938   2H5   TSD 124          2H5       TSP 124  -0.604   0.878  -1.917
  939   3H5   TSD 124          3H5       TSP 124   0.297   2.179  -1.173
  940   1H6   TSD 124          1H6       TSP 124   2.030   0.304   1.870
  941   2H6   TSD 124          2H6       TSP 124   1.372   1.894   1.560
  942   3H6   TSD 124          3H6       TSP 124   2.477   1.169   0.418
  943   1D3   TSD 124          1D3       TSP 124  -1.847  -0.647   0.897
  944   2D3   TSD 124          2D3       TSP 124  -0.621  -0.933   2.116
  945   1D2   TSD 124          1D2       TSP 124  -2.051   1.693   1.608
  946   2D2   TSD 124          2D2       TSP 124  -0.761   1.466   2.786
  Start of MODEL    4
    1    HA   ILE   1           HA       ILE   1   1.089  10.637  10.563
    2    HB   ILE   1           HB       ILE   1  -0.716  11.334   8.245
    3   1HG1  ILE   1          1HG1      ILE   1   2.275  11.747   8.416
    4   2HG1  ILE   1          2HG1      ILE   1   1.524  10.423   7.534
    5   1HG2  ILE   1          1HG2      ILE   1  -0.725  12.860  10.192
    6   2HG2  ILE   1          2HG2      ILE   1  -0.096  13.614   8.727
    7   3HG2  ILE   1          3HG2      ILE   1   1.013  13.081   9.991
    8   1HD1  ILE   1          1HD1      ILE   1   1.125  13.352   6.976
    9   2HD1  ILE   1          2HD1      ILE   1   0.400  12.018   6.080
   10   3HD1  ILE   1          3HD1      ILE   1   2.148  12.249   6.056
   11    H    ASP   2           H        ASP   2  -2.075  10.500   8.975
   12    HA   ASP   2           HA       ASP   2  -3.327  10.145  11.618
   13   1HB   ASP   2          1HB       ASP   2  -4.207  11.985   9.385
   14   2HB   ASP   2          2HB       ASP   2  -5.168  11.633  10.819
   15    H    GLN   3           H        GLN   3  -5.088   8.810  11.729
   16    HA   GLN   3           HA       GLN   3  -5.330   6.733   9.900
   17   1HB   GLN   3          1HB       GLN   3  -7.061   5.917  11.222
   18   2HB   GLN   3          2HB       GLN   3  -6.141   6.901  12.346
   19   1HG   GLN   3          1HG       GLN   3  -8.535   7.991  10.913
   20   2HG   GLN   3          2HG       GLN   3  -8.687   7.056  12.397
   21   1HE2  GLN   3          1HE2      GLN   3  -9.513   8.760  13.561
   22   2HE2  GLN   3          2HE2      GLN   3  -8.559  10.117  14.042
   23    H    ASP   4           H        ASP   4  -7.100   9.748  10.149
   24    HA   ASP   4           HA       ASP   4  -9.094   9.156   8.243
   25   1HB   ASP   4          1HB       ASP   4  -9.338  11.002   9.817
   26   2HB   ASP   4          2HB       ASP   4  -7.963  11.831   9.091
   27    H    THR   5           H        THR   5  -6.105  11.071   7.915
   28    HA   THR   5           HA       THR   5  -6.297  11.599   5.186
   29    HB   THR   5           HB       THR   5  -3.837  11.933   5.236
   30    HG1  THR   5           1HG      THR   5  -2.692  11.435   7.043
   31   1HG2  THR   5          1HG2      THR   5  -5.297  13.754   5.896
   32   2HG2  THR   5          2HG2      THR   5  -3.857  13.745   6.915
   33   3HG2  THR   5          3HG2      THR   5  -5.384  13.123   7.539
   34    H    VAL   6           H        VAL   6  -5.032   8.767   6.832
   35    HA   VAL   6           HA       VAL   6  -4.007   7.666   4.350
   36    HB   VAL   6           HB       VAL   6  -4.118   6.411   7.092
   37   1HG1  VAL   6          1HG1      VAL   6  -3.964   4.739   5.340
   38   2HG1  VAL   6          2HG1      VAL   6  -2.424   4.868   6.190
   39   3HG1  VAL   6          3HG1      VAL   6  -2.619   5.606   4.600
   40   1HG2  VAL   6          1HG2      VAL   6  -2.753   8.433   7.060
   41   2HG2  VAL   6          2HG2      VAL   6  -1.857   7.818   5.672
   42   3HG2  VAL   6          3HG2      VAL   6  -1.745   6.996   7.228
   43    H    VAL   7           H        VAL   7  -6.211   6.335   6.826
   44    HA   VAL   7           HA       VAL   7  -7.176   4.244   5.257
   45    HB   VAL   7           HB       VAL   7  -8.647   5.629   7.496
   46   1HG1  VAL   7          1HG1      VAL   7 -10.070   4.124   6.232
   47   2HG1  VAL   7          2HG1      VAL   7  -9.714   3.441   7.818
   48   3HG1  VAL   7          3HG1      VAL   7  -8.879   2.834   6.387
   49   1HG2  VAL   7          1HG2      VAL   7  -6.667   3.355   7.600
   50   2HG2  VAL   7          2HG2      VAL   7  -7.602   3.970   8.963
   51   3HG2  VAL   7          3HG2      VAL   7  -6.397   4.996   8.185
   52    H    ALA   8           H        ALA   8  -8.981   7.220   6.075
   53    HA   ALA   8           HA       ALA   8 -11.168   6.724   4.440
   54   1HB   ALA   8          1HB       ALA   8 -11.061   8.430   6.226
   55   2HB   ALA   8          2HB       ALA   8 -11.752   9.030   4.720
   56   3HB   ALA   8          3HB       ALA   8 -10.094   9.443   5.154
   57    H    LYS   9           H        LYS   9  -8.018   7.913   3.513
   58    HA   LYS   9           HA       LYS   9  -9.018   8.891   0.962
   59   1HB   LYS   9          1HB       LYS   9  -6.352   8.913   2.312
   60   2HB   LYS   9          2HB       LYS   9  -6.449   9.179   0.578
   61   1HG   LYS   9          1HG       LYS   9  -6.404  11.289   1.760
   62   2HG   LYS   9          2HG       LYS   9  -7.958  11.069   0.953
   63   1HD   LYS   9          1HD       LYS   9  -8.917  10.305   3.106
   64   2HD   LYS   9          2HD       LYS   9  -7.371  10.648   3.884
   65   1HE   LYS   9          1HE       LYS   9  -9.118  12.654   2.459
   66   2HE   LYS   9          2HE       LYS   9  -8.976  12.472   4.206
   67   1HZ   LYS   9          1HZ       LYS   9  -6.636  13.056   4.040
   68   2HZ   LYS   9          2HZ       LYS   9  -7.604  14.283   3.391
   69   3HZ   LYS   9          3HZ       LYS   9  -6.774  13.228   2.362
   70    H    TYR  10           H        TYR  10  -6.657   6.423   2.002
   71    HA   TYR  10           HA       TYR  10  -6.224   5.305  -0.513
   72   1HB   TYR  10          1HB       TYR  10  -5.902   4.323   2.289
   73   2HB   TYR  10          2HB       TYR  10  -5.765   3.164   0.969
   74    HD1  TYR  10           1HD      TYR  10  -4.083   3.696  -0.894
   75    HD2  TYR  10           2HD      TYR  10  -4.068   5.655   2.880
   76    HE1  TYR  10           1HE      TYR  10  -1.749   4.376  -1.263
   77    HE2  TYR  10           2HE      TYR  10  -1.735   6.342   2.522
   78    HH   TYR  10           HH       TYR  10  -0.194   6.117  -0.490
   79    H    MET  11           H        MET  11  -8.915   5.029   1.620
   80    HA   MET  11           HA       MET  11  -9.956   2.625   0.404
   81   1HB   MET  11          1HB       MET  11 -10.981   4.543   2.481
   82   2HB   MET  11          2HB       MET  11 -12.026   3.306   1.798
   83   1HG   MET  11          1HG       MET  11 -10.094   1.697   2.472
   84   2HG   MET  11          2HG       MET  11  -9.633   3.015   3.550
   85   1HE   MET  11          1HE       MET  11 -13.005   3.406   5.623
   86   2HE   MET  11          2HE       MET  11 -12.783   4.122   4.027
   87   3HE   MET  11          3HE       MET  11 -11.470   4.166   5.201
   88    H    GLU  12           H        GLU  12 -11.042   6.015   0.581
   89    HA   GLU  12           HA       GLU  12 -13.124   5.752  -1.288
   90   1HB   GLU  12          1HB       GLU  12 -12.825   7.613   0.366
   91   2HB   GLU  12          2HB       GLU  12 -11.553   8.254  -0.663
   92   1HG   GLU  12          1HG       GLU  12 -14.299   7.776  -1.748
   93   2HG   GLU  12          2HG       GLU  12 -13.928   9.235  -0.833
   94    H    TYR  13           H        TYR  13  -9.710   6.151  -1.688
   95    HA   TYR  13           HA       TYR  13  -9.517   7.340  -4.177
   96   1HB   TYR  13          1HB       TYR  13  -7.641   6.653  -2.583
   97   2HB   TYR  13          2HB       TYR  13  -7.752   5.054  -3.309
   98    HD1  TYR  13           1HD      TYR  13  -6.686   8.514  -3.797
   99    HD2  TYR  13           2HD      TYR  13  -7.068   4.693  -5.634
  100    HE1  TYR  13           1HE      TYR  13  -5.182   9.242  -5.603
  101    HE2  TYR  13           2HE      TYR  13  -5.565   5.407  -7.444
  102    HH   TYR  13           HH       TYR  13  -4.815   7.522  -8.492
  103    H    LEU  14           H        LEU  14  -9.957   3.888  -3.424
  104    HA   LEU  14           HA       LEU  14 -11.218   3.499  -6.010
  105   1HB   LEU  14          1HB       LEU  14  -8.634   2.188  -5.226
  106   2HB   LEU  14          2HB       LEU  14  -9.729   1.432  -6.361
  107    HG   LEU  14           HG       LEU  14  -8.465   4.148  -6.731
  108   1HD1  LEU  14          1HD1      LEU  14  -7.820   1.518  -8.052
  109   2HD1  LEU  14          2HD1      LEU  14  -6.831   2.323  -6.836
  110   3HD1  LEU  14          3HD1      LEU  14  -7.079   3.078  -8.410
  111   1HD2  LEU  14          1HD2      LEU  14 -10.627   3.955  -7.838
  112   2HD2  LEU  14          2HD2      LEU  14 -10.112   2.453  -8.604
  113   3HD2  LEU  14          3HD2      LEU  14  -9.317   3.972  -9.019
  114    H    MET  15           H        MET  15 -12.402   3.405  -3.528
  115    HA   MET  15           HA       MET  15 -12.473   1.004  -2.179
  116   1HB   MET  15          1HB       MET  15 -13.664   3.199  -1.636
  117   2HB   MET  15          2HB       MET  15 -14.948   2.629  -2.690
  118   1HG   MET  15          1HG       MET  15 -15.226   0.651  -1.290
  119   2HG   MET  15          2HG       MET  15 -13.938   1.225  -0.234
  120   1HE   MET  15          1HE       MET  15 -17.587   1.735  -1.493
  121   2HE   MET  15          2HE       MET  15 -16.852   3.258  -1.992
  122   3HE   MET  15          3HE       MET  15 -18.060   3.242  -0.707
  123    HA   PRO  16           HA       PRO  16 -16.012  -0.535  -5.158
  124   1HB   PRO  16          1HB       PRO  16 -15.928   0.494  -7.692
  125   2HB   PRO  16          2HB       PRO  16 -16.972   1.116  -6.409
  126   1HG   PRO  16          1HG       PRO  16 -14.325   2.136  -7.360
  127   2HG   PRO  16          2HG       PRO  16 -15.788   3.044  -6.933
  128   1HD   PRO  16          1HD       PRO  16 -13.708   2.843  -5.246
  129   2HD   PRO  16          2HD       PRO  16 -15.383   2.874  -4.661
  130    H    ASP  17           H        ASP  17 -12.875   0.400  -6.474
  131    HA   ASP  17           HA       ASP  17 -12.705  -1.989  -8.099
  132   1HB   ASP  17          1HB       ASP  17 -10.617   0.121  -7.528
  133   2HB   ASP  17          2HB       ASP  17 -10.493  -1.145  -8.742
  134    H    ILE  18           H        ILE  18 -12.173  -1.249  -4.873
  135    HA   ILE  18           HA       ILE  18  -9.966  -3.098  -4.486
  136    HB   ILE  18           HB       ILE  18 -11.559  -1.342  -2.639
  137   1HG1  ILE  18          1HG1      ILE  18  -8.580  -1.591  -3.107
  138   2HG1  ILE  18          2HG1      ILE  18  -9.619  -0.454  -3.957
  139   1HG2  ILE  18          1HG2      ILE  18 -10.199  -2.217  -0.756
  140   2HG2  ILE  18          2HG2      ILE  18  -9.628  -3.506  -1.815
  141   3HG2  ILE  18          3HG2      ILE  18 -11.339  -3.396  -1.405
  142   1HD1  ILE  18          1HD1      ILE  18  -9.111  -0.520  -0.994
  143   2HD1  ILE  18          2HD1      ILE  18 -10.181   0.609  -1.826
  144   3HD1  ILE  18          3HD1      ILE  18  -8.446   0.637  -2.146
  145    H    MET  19           H        MET  19 -13.437  -3.066  -4.236
  146    HA   MET  19           HA       MET  19 -13.906  -5.221  -2.559
  147   1HB   MET  19          1HB       MET  19 -15.485  -4.432  -5.011
  148   2HB   MET  19          2HB       MET  19 -16.063  -5.459  -3.706
  149   1HG   MET  19          1HG       MET  19 -15.262  -2.570  -3.449
  150   2HG   MET  19          2HG       MET  19 -16.911  -3.185  -3.516
  151   1HE   MET  19          1HE       MET  19 -15.809  -1.268  -1.142
  152   2HE   MET  19          2HE       MET  19 -16.628  -2.054   0.207
  153   3HE   MET  19          3HE       MET  19 -17.463  -1.850  -1.332
  154    HA   PRO  20           HA       PRO  20 -13.803  -7.868  -6.906
  155   1HB   PRO  20          1HB       PRO  20 -11.150  -6.561  -7.418
  156   2HB   PRO  20          2HB       PRO  20 -12.263  -7.313  -8.566
  157   1HG   PRO  20          1HG       PRO  20 -12.188  -4.664  -8.275
  158   2HG   PRO  20          2HG       PRO  20 -13.719  -5.516  -8.544
  159   1HD   PRO  20          1HD       PRO  20 -12.698  -4.211  -6.101
  160   2HD   PRO  20          2HD       PRO  20 -14.368  -4.578  -6.570
  161    H    CYS  21           H        CYS  21 -10.813  -6.876  -5.204
  162    HA   CYS  21           HA       CYS  21  -9.965  -9.641  -4.989
  163   1HB   CYS  21          1HB       CYS  21  -8.692  -7.117  -3.910
  164   2HB   CYS  21          2HB       CYS  21  -7.953  -8.715  -3.924
  165    H    ALA  22           H        ALA  22 -11.259  -7.129  -2.883
  166    HA   ALA  22           HA       ALA  22 -10.802  -8.456  -0.434
  167   1HB   ALA  22          1HB       ALA  22 -11.339  -6.085  -0.525
  168   2HB   ALA  22          2HB       ALA  22 -12.500  -6.942   0.488
  169   3HB   ALA  22          3HB       ALA  22 -12.948  -6.456  -1.147
  170    H    ASP  23           H        ASP  23 -12.862  -9.192  -2.997
  171    HA   ASP  23           HA       ASP  23 -14.922 -10.472  -1.419
  172   1HB   ASP  23          1HB       ASP  23 -15.433  -9.404  -3.601
  173   2HB   ASP  23          2HB       ASP  23 -14.419 -10.600  -4.400
  174    H    GLU  24           H        GLU  24 -12.355 -11.523  -3.650
  175    HA   GLU  24           HA       GLU  24 -12.740 -14.304  -2.976
  176   1HB   GLU  24          1HB       GLU  24 -11.886 -13.187  -5.219
  177   2HB   GLU  24          2HB       GLU  24 -10.322 -13.305  -4.423
  178   1HG   GLU  24          1HG       GLU  24 -12.189 -15.611  -4.924
  179   2HG   GLU  24          2HG       GLU  24 -10.775 -15.208  -5.896
  180    H    LEU  25           H        LEU  25 -10.094 -11.972  -2.634
  181    HA   LEU  25           HA       LEU  25  -8.707 -13.640  -0.714
  182   1HB   LEU  25          1HB       LEU  25  -8.128 -10.862  -1.699
  183   2HB   LEU  25          2HB       LEU  25  -7.039 -11.843  -0.739
  184    HG   LEU  25           HG       LEU  25  -7.982 -12.656  -3.487
  185   1HD1  LEU  25          1HD1      LEU  25  -5.470 -11.181  -2.711
  186   2HD1  LEU  25          2HD1      LEU  25  -6.797 -10.550  -3.686
  187   3HD1  LEU  25          3HD1      LEU  25  -5.803 -11.871  -4.299
  188   1HD2  LEU  25          1HD2      LEU  25  -7.157 -14.459  -2.055
  189   2HD2  LEU  25          2HD2      LEU  25  -5.665 -13.560  -1.777
  190   3HD2  LEU  25          3HD2      LEU  25  -6.052 -14.148  -3.395
  191    H    HIS  26           H        HIS  26 -11.258 -12.812   0.083
  192    HA   HIS  26           HA       HIS  26 -11.337 -10.551   1.732
  193   1HB   HIS  26          1HB       HIS  26 -13.323 -11.838   0.911
  194   2HB   HIS  26          2HB       HIS  26 -12.933 -13.097   2.076
  195    HD1  HIS  26           1HD      HIS  26 -14.366  -9.661   1.808
  196    HD2  HIS  26           2HD      HIS  26 -13.538 -12.475   4.752
  197    HE1  HIS  26           1HE      HIS  26 -15.567  -8.856   3.864
  198    HE2  HIS  26           2HE      HIS  26 -15.017 -10.552   5.646
  199    H    ILE  27           H        ILE  27  -9.214 -10.788   2.703
  200    HA   ILE  27           HA       ILE  27  -9.402 -11.794   5.385
  201    HB   ILE  27           HB       ILE  27  -7.098 -12.996   5.059
  202   1HG1  ILE  27          1HG1      ILE  27  -8.325 -13.212   2.299
  203   2HG1  ILE  27          2HG1      ILE  27  -6.800 -12.431   2.707
  204   1HG2  ILE  27          1HG2      ILE  27  -9.596 -14.396   4.127
  205   2HG2  ILE  27          2HG2      ILE  27  -9.262 -13.998   5.811
  206   3HG2  ILE  27          3HG2      ILE  27  -8.201 -15.105   4.941
  207   1HD1  ILE  27          1HD1      ILE  27  -6.368 -14.572   1.719
  208   2HD1  ILE  27          2HD1      ILE  27  -7.425 -15.369   2.883
  209   3HD1  ILE  27          3HD1      ILE  27  -5.919 -14.625   3.424
  210    H    SER  28           H        SER  28  -9.243  -9.253   4.793
  211    HA   SER  28           HA       SER  28  -6.771  -8.092   4.248
  212   1HB   SER  28          1HB       SER  28  -8.873  -6.909   6.061
  213   2HB   SER  28          2HB       SER  28  -7.675  -6.047   5.095
  214    HG   SER  28           HG       SER  28  -9.803  -7.637   4.091
  215    H    GLU  29           H        GLU  29  -5.732  -6.543   5.964
  216    HA   GLU  29           HA       GLU  29  -4.131  -7.991   7.634
  217   1HB   GLU  29          1HB       GLU  29  -4.988  -5.253   8.498
  218   2HB   GLU  29          2HB       GLU  29  -3.388  -5.980   8.541
  219   1HG   GLU  29          1HG       GLU  29  -3.243  -5.811   6.112
  220   2HG   GLU  29          2HG       GLU  29  -4.849  -5.089   6.069
  221    H    ASP  30           H        ASP  30  -7.424  -7.152   8.164
  222    HA   ASP  30           HA       ASP  30  -7.318  -7.483  11.034
  223   1HB   ASP  30          1HB       ASP  30  -8.915  -5.912  10.036
  224   2HB   ASP  30          2HB       ASP  30  -9.692  -7.238   9.177
  225    H    ILE  31           H        ILE  31  -9.161  -9.171   8.497
  226    HA   ILE  31           HA       ILE  31  -9.673 -11.441  10.153
  227    HB   ILE  31           HB       ILE  31  -9.968 -11.219   7.153
  228   1HG1  ILE  31          1HG1      ILE  31 -11.162  -9.397   8.291
  229   2HG1  ILE  31          2HG1      ILE  31 -12.285 -10.547   7.576
  230   1HG2  ILE  31          1HG2      ILE  31 -11.203 -13.071   9.182
  231   2HG2  ILE  31          2HG2      ILE  31 -10.126 -13.498   7.853
  232   3HG2  ILE  31          3HG2      ILE  31 -11.758 -12.923   7.515
  233   1HD1  ILE  31          1HD1      ILE  31 -12.669 -11.544   9.761
  234   2HD1  ILE  31          2HD1      ILE  31 -13.018  -9.815   9.779
  235   3HD1  ILE  31          3HD1      ILE  31 -11.519 -10.421  10.484
  236    H    ALA  32           H        ALA  32  -6.951 -10.450   8.541
  237    HA   ALA  32           HA       ALA  32  -5.901 -12.651   7.259
  238   1HB   ALA  32          1HB       ALA  32  -4.846 -10.425   7.316
  239   2HB   ALA  32          2HB       ALA  32  -3.712 -11.718   7.703
  240   3HB   ALA  32          3HB       ALA  32  -4.371 -10.713   8.991
  241    H    THR  33           H        THR  33  -5.456 -11.787  10.686
  242    HA   THR  33           HA       THR  33  -5.787 -14.367  11.690
  243    HB   THR  33           HB       THR  33  -3.808 -15.114  10.641
  244    HG1  THR  33           1HG      THR  33  -3.643 -15.901  12.651
  245   1HG2  THR  33          1HG2      THR  33  -1.660 -13.957  10.784
  246   2HG2  THR  33          2HG2      THR  33  -2.408 -12.664  11.721
  247   3HG2  THR  33          3HG2      THR  33  -2.880 -12.920  10.041
  248    H    ASN  34           H        ASN  34  -6.671 -13.671  13.528
  249    HA   ASN  34           HA       ASN  34  -5.598 -11.402  14.957
  250   1HB   ASN  34          1HB       ASN  34  -7.479 -11.757  16.496
  251   2HB   ASN  34          2HB       ASN  34  -8.023 -11.733  14.821
  252   1HD2  ASN  34          1HD2      ASN  34  -7.461 -13.710  17.626
  253   2HD2  ASN  34          2HD2      ASN  34  -8.372 -15.077  17.094
  254    H    ILE  35           H        ILE  35  -4.192 -14.139  14.695
  255    HA   ILE  35           HA       ILE  35  -3.405 -14.276  17.515
  256    HB   ILE  35           HB       ILE  35  -3.268 -16.748  17.393
  257   1HG1  ILE  35          1HG1      ILE  35  -4.937 -16.460  14.887
  258   2HG1  ILE  35          2HG1      ILE  35  -3.219 -16.845  14.883
  259   1HG2  ILE  35          1HG2      ILE  35  -6.012 -15.575  16.958
  260   2HG2  ILE  35          2HG2      ILE  35  -5.150 -15.681  18.493
  261   3HG2  ILE  35          3HG2      ILE  35  -5.675 -17.152  17.674
  262   1HD1  ILE  35          1HD1      ILE  35  -5.389 -18.509  16.138
  263   2HD1  ILE  35          2HD1      ILE  35  -3.670 -18.900  16.105
  264   3HD1  ILE  35          3HD1      ILE  35  -4.588 -18.835  14.601
  265    H    GLN  36           H        GLN  36  -2.349 -13.390  14.741
  266    HA   GLN  36           HA       GLN  36   0.365 -14.307  15.207
  267   1HB   GLN  36          1HB       GLN  36  -1.086 -14.788  12.599
  268   2HB   GLN  36          2HB       GLN  36   0.664 -14.833  12.756
  269   1HG   GLN  36          1HG       GLN  36   0.484 -16.672  14.343
  270   2HG   GLN  36          2HG       GLN  36  -1.273 -16.618  14.213
  271   1HE2  GLN  36          1HE2      GLN  36  -1.208 -16.064  11.352
  272   2HE2  GLN  36          2HE2      GLN  36  -0.785 -17.551  10.582
  273    H    ALA  37           H        ALA  37   1.753 -12.681  14.914
  274    HA   ALA  37           HA       ALA  37   0.731 -10.150  13.989
  275   1HB   ALA  37          1HB       ALA  37   2.130 -10.280  15.992
  276   2HB   ALA  37          2HB       ALA  37   2.837  -9.227  14.764
  277   3HB   ALA  37          3HB       ALA  37   3.477 -10.853  15.007
  278    H    ALA  38           H        ALA  38   3.152 -12.498  12.952
  279    HA   ALA  38           HA       ALA  38   4.215 -12.824  10.974
  280   1HB   ALA  38          1HB       ALA  38   1.911 -12.785  10.098
  281   2HB   ALA  38          2HB       ALA  38   3.098 -12.192   8.936
  282   3HB   ALA  38          3HB       ALA  38   2.076 -11.053   9.810
  283    H    LYS  39           H        LYS  39   3.187  -9.699   9.766
  284    HA   LYS  39           HA       LYS  39   5.987  -8.829   9.906
  285   1HB   LYS  39          1HB       LYS  39   4.810  -9.012   7.680
  286   2HB   LYS  39          2HB       LYS  39   3.806  -7.663   8.185
  287   1HG   LYS  39          1HG       LYS  39   5.461  -6.676   6.890
  288   2HG   LYS  39          2HG       LYS  39   6.011  -6.407   8.545
  289   1HD   LYS  39          1HD       LYS  39   6.925  -8.868   7.147
  290   2HD   LYS  39          2HD       LYS  39   7.635  -7.326   6.663
  291   1HE   LYS  39          1HE       LYS  39   8.246  -6.901   9.012
  292   2HE   LYS  39          2HE       LYS  39   7.588  -8.475   9.452
  293   1HZ   LYS  39          1HZ       LYS  39   9.853  -8.009   7.590
  294   2HZ   LYS  39          2HZ       LYS  39   9.220  -9.520   8.008
  295   3HZ   LYS  39          3HZ       LYS  39   9.981  -8.569   9.181
  296    H    ASN  40           H        ASN  40   2.774  -7.268   9.959
  297    HA   ASN  40           HA       ASN  40   3.762  -5.508  12.104
  298   1HB   ASN  40          1HB       ASN  40   1.989  -4.707   9.786
  299   2HB   ASN  40          2HB       ASN  40   2.455  -3.663  11.125
  300   1HD2  ASN  40          1HD2      ASN  40   3.477  -5.214   8.207
  301   2HD2  ASN  40          2HD2      ASN  40   4.976  -4.371   8.040
  302    H    GLY  41           H        GLY  41   2.216  -7.972  12.259
  303   1HA   GLY  41          1HA       GLY  41   0.630  -8.386  14.023
  304   2HA   GLY  41          2HA       GLY  41  -0.161  -6.872  13.609
  305    H    ALA  42           H        ALA  42   0.310  -7.784  10.689
  306    HA   ALA  42           HA       ALA  42  -2.269  -9.081  10.427
  307   1HB   ALA  42          1HB       ALA  42  -2.176  -8.503   8.143
  308   2HB   ALA  42          2HB       ALA  42  -0.428  -8.276   8.191
  309   3HB   ALA  42          3HB       ALA  42  -1.489  -7.134   9.015
  310    H    ASP  43           H        ASP  43  -1.246 -10.239   7.771
  311    HA   ASP  43           HA       ASP  43  -0.194 -12.729   8.924
  312   1HB   ASP  43          1HB       ASP  43  -2.396 -12.943   7.855
  313   2HB   ASP  43          2HB       ASP  43  -1.733 -12.308   6.353
  314    H    MET  44           H        MET  44   0.564 -10.111   6.911
  315    HA   MET  44           HA       MET  44   2.440  -9.552   5.745
  316   1HB   MET  44          1HB       MET  44   3.640 -10.740   7.583
  317   2HB   MET  44          2HB       MET  44   3.549 -12.221   6.646
  318   1HG   MET  44          1HG       MET  44   4.841 -11.052   4.835
  319   2HG   MET  44          2HG       MET  44   5.057  -9.713   5.963
  320   1HE   MET  44          1HE       MET  44   7.651  -9.920   5.567
  321   2HE   MET  44          2HE       MET  44   7.499 -11.348   4.544
  322   3HE   MET  44          3HE       MET  44   8.602 -11.362   5.919
  323    H    SER  45           H        SER  45   2.412 -13.088   5.305
  324    HA   SER  45           HA       SER  45   3.114 -13.177   2.669
  325   1HB   SER  45          1HB       SER  45   2.982 -15.169   4.056
  326   2HB   SER  45          2HB       SER  45   1.225 -15.033   4.127
  327    HG   SER  45           HG       SER  45   2.868 -15.733   1.949
  328    H    GLN  46           H        GLN  46  -0.174 -12.740   3.949
  329    HA   GLN  46           HA       GLN  46  -1.254 -12.764   1.258
  330   1HB   GLN  46          1HB       GLN  46  -2.429 -13.763   3.271
  331   2HB   GLN  46          2HB       GLN  46  -2.765 -12.112   3.777
  332   1HG   GLN  46          1HG       GLN  46  -4.644 -13.122   2.578
  333   2HG   GLN  46          2HG       GLN  46  -4.010 -11.700   1.752
  334   1HE2  GLN  46          1HE2      GLN  46  -2.839 -11.967  -0.169
  335   2HE2  GLN  46          2HE2      GLN  46  -2.931 -13.419  -1.102
  336    H    LEU  47           H        LEU  47  -0.332 -10.398   3.652
  337    HA   LEU  47           HA       LEU  47  -1.828  -8.231   2.601
  338   1HB   LEU  47          1HB       LEU  47   0.239  -8.615   4.607
  339   2HB   LEU  47          2HB       LEU  47   0.463  -7.121   3.718
  340    HG   LEU  47           HG       LEU  47  -1.895  -6.511   4.278
  341   1HD1  LEU  47          1HD1      LEU  47  -3.007  -7.720   6.079
  342   2HD1  LEU  47          2HD1      LEU  47  -1.707  -8.911   6.091
  343   3HD1  LEU  47          3HD1      LEU  47  -2.752  -8.757   4.678
  344   1HD2  LEU  47          1HD2      LEU  47  -1.399  -5.954   6.633
  345   2HD2  LEU  47          2HD2      LEU  47  -0.065  -5.580   5.544
  346   3HD2  LEU  47          3HD2      LEU  47   0.005  -7.018   6.562
  347    H    GLY  48           H        GLY  48   0.672  -9.942   1.257
  348   1HA   GLY  48          1HA       GLY  48   1.762  -7.649  -0.194
  349   2HA   GLY  48          2HA       GLY  48   2.370  -9.303  -0.255
  350    H    CYS  49           H        CYS  49  -0.950  -9.315  -0.442
  351    HA   CYS  49           HA       CYS  49  -0.950  -9.211  -3.371
  352   1HB   CYS  49          1HB       CYS  49  -1.937 -11.403  -1.596
  353   2HB   CYS  49          2HB       CYS  49  -2.619 -11.163  -3.198
  354    H    LEU  50           H        LEU  50  -3.378  -9.940  -0.850
  355    HA   LEU  50           HA       LEU  50  -5.512  -8.677  -2.080
  356   1HB   LEU  50          1HB       LEU  50  -5.881 -10.057  -0.139
  357   2HB   LEU  50          2HB       LEU  50  -4.906  -8.996   0.861
  358    HG   LEU  50           HG       LEU  50  -6.617  -7.194   0.468
  359   1HD1  LEU  50          1HD1      LEU  50  -8.788  -7.787  -0.355
  360   2HD1  LEU  50          2HD1      LEU  50  -8.299  -9.468  -0.564
  361   3HD1  LEU  50          3HD1      LEU  50  -7.587  -8.212  -1.576
  362   1HD2  LEU  50          1HD2      LEU  50  -7.482  -9.733   1.830
  363   2HD2  LEU  50          2HD2      LEU  50  -8.239  -8.158   2.053
  364   3HD2  LEU  50          3HD2      LEU  50  -6.564  -8.408   2.540
  365    H    LYS  51           H        LYS  51  -3.382  -7.353   0.445
  366    HA   LYS  51           HA       LYS  51  -4.322  -4.709   0.238
  367   1HB   LYS  51          1HB       LYS  51  -2.894  -5.792   2.094
  368   2HB   LYS  51          2HB       LYS  51  -1.517  -5.446   1.057
  369   1HG   LYS  51          1HG       LYS  51  -1.432  -3.510   2.159
  370   2HG   LYS  51          2HG       LYS  51  -2.773  -3.034   1.112
  371   1HD   LYS  51          1HD       LYS  51  -3.106  -4.337   3.812
  372   2HD   LYS  51          2HD       LYS  51  -3.159  -2.595   3.539
  373   1HE   LYS  51          1HE       LYS  51  -5.054  -2.909   2.007
  374   2HE   LYS  51          2HE       LYS  51  -5.006  -4.644   2.314
  375   1HZ   LYS  51          1HZ       LYS  51  -5.475  -4.196   4.649
  376   2HZ   LYS  51          2HZ       LYS  51  -6.695  -3.578   3.655
  377   3HZ   LYS  51          3HZ       LYS  51  -5.548  -2.535   4.334
  378    H    ALA  52           H        ALA  52  -2.168  -6.628  -1.680
  379    HA   ALA  52           HA       ALA  52  -0.824  -4.392  -2.939
  380   1HB   ALA  52          1HB       ALA  52  -0.934  -7.275  -3.819
  381   2HB   ALA  52          2HB       ALA  52   0.247  -6.610  -2.691
  382   3HB   ALA  52          3HB       ALA  52   0.207  -6.045  -4.362
  383    H    CYS  53           H        CYS  53  -3.824  -5.952  -3.282
  384    HA   CYS  53           HA       CYS  53  -4.271  -5.717  -6.041
  385   1HB   CYS  53          1HB       CYS  53  -5.744  -6.992  -4.522
  386   2HB   CYS  53          2HB       CYS  53  -6.286  -5.483  -3.795
  387    H    VAL  54           H        VAL  54  -4.198  -3.389  -3.495
  388    HA   VAL  54           HA       VAL  54  -5.641  -1.338  -4.888
  389    HB   VAL  54           HB       VAL  54  -3.733  -1.021  -2.565
  390   1HG1  VAL  54          1HG1      VAL  54  -4.252   1.066  -3.709
  391   2HG1  VAL  54          2HG1      VAL  54  -5.007   1.022  -2.116
  392   3HG1  VAL  54          3HG1      VAL  54  -5.978   0.733  -3.561
  393   1HG2  VAL  54          1HG2      VAL  54  -5.712  -1.137  -1.129
  394   2HG2  VAL  54          2HG2      VAL  54  -5.473  -2.640  -2.021
  395   3HG2  VAL  54          3HG2      VAL  54  -6.713  -1.496  -2.537
  396    H    MET  55           H        MET  55  -2.268  -2.247  -4.468
  397    HA   MET  55           HA       MET  55  -1.158   0.071  -5.670
  398   1HB   MET  55          1HB       MET  55  -0.039  -2.707  -5.276
  399   2HB   MET  55          2HB       MET  55   0.896  -1.360  -5.907
  400   1HG   MET  55          1HG       MET  55   0.386  -0.124  -3.800
  401   2HG   MET  55          2HG       MET  55  -0.339  -1.605  -3.178
  402   1HE   MET  55          1HE       MET  55   1.026  -3.869  -2.812
  403   2HE   MET  55          2HE       MET  55   2.752  -4.032  -3.134
  404   3HE   MET  55          3HE       MET  55   1.623  -3.809  -4.470
  405    H    LYS  56           H        LYS  56  -2.104  -3.100  -6.916
  406    HA   LYS  56           HA       LYS  56  -1.128  -2.624  -9.556
  407   1HB   LYS  56          1HB       LYS  56  -3.195  -4.619  -8.611
  408   2HB   LYS  56          2HB       LYS  56  -2.367  -4.648 -10.162
  409   1HG   LYS  56          1HG       LYS  56  -0.240  -5.003  -9.022
  410   2HG   LYS  56          2HG       LYS  56  -1.064  -4.962  -7.466
  411   1HD   LYS  56          1HD       LYS  56  -1.687  -6.931  -9.657
  412   2HD   LYS  56          2HD       LYS  56  -0.561  -7.250  -8.336
  413   1HE   LYS  56          1HE       LYS  56  -2.434  -8.131  -7.426
  414   2HE   LYS  56          2HE       LYS  56  -2.631  -6.468  -6.884
  415   1HZ   LYS  56          1HZ       LYS  56  -4.675  -7.348  -7.831
  416   2HZ   LYS  56          2HZ       LYS  56  -3.892  -7.651  -9.299
  417   3HZ   LYS  56          3HZ       LYS  56  -4.091  -6.060  -8.760
  418    H    ARG  57           H        ARG  57  -3.947  -1.705  -7.841
  419    HA   ARG  57           HA       ARG  57  -5.559  -1.304 -10.214
  420   1HB   ARG  57          1HB       ARG  57  -6.285  -1.902  -7.726
  421   2HB   ARG  57          2HB       ARG  57  -6.331  -0.151  -7.577
  422   1HG   ARG  57          1HG       ARG  57  -8.505  -0.701  -8.151
  423   2HG   ARG  57          2HG       ARG  57  -7.794  -0.220  -9.691
  424   1HD   ARG  57          1HD       ARG  57  -8.014  -3.072  -8.735
  425   2HD   ARG  57          2HD       ARG  57  -9.179  -2.292  -9.804
  426    HE   ARG  57           HE       ARG  57  -6.879  -1.921 -11.128
  427   1HH1  ARG  57          1HH1      ARG  57  -8.275  -4.754  -9.651
  428   2HH1  ARG  57          2HH1      ARG  57  -7.542  -5.854 -10.770
  429   1HH2  ARG  57          1HH2      ARG  57  -5.914  -3.364 -12.604
  430   2HH2  ARG  57          2HH2      ARG  57  -6.200  -5.064 -12.446
  431    H    ILE  58           H        ILE  58  -3.461   0.531  -8.142
  432    HA   ILE  58           HA       ILE  58  -4.322   3.068  -9.316
  433    HB   ILE  58           HB       ILE  58  -2.814   4.134  -7.721
  434   1HG1  ILE  58          1HG1      ILE  58  -2.179   1.340  -6.749
  435   2HG1  ILE  58          2HG1      ILE  58  -1.098   2.321  -7.731
  436   1HG2  ILE  58          1HG2      ILE  58  -5.102   3.574  -7.035
  437   2HG2  ILE  58          2HG2      ILE  58  -3.982   3.538  -5.675
  438   3HG2  ILE  58          3HG2      ILE  58  -4.529   2.030  -6.407
  439   1HD1  ILE  58          1HD1      ILE  58  -2.081   3.013  -4.973
  440   2HD1  ILE  58          2HD1      ILE  58  -0.976   3.978  -5.953
  441   3HD1  ILE  58          3HD1      ILE  58  -0.484   2.384  -5.381
  442    H    GLU  59           H        GLU  59  -2.732   0.809 -10.630
  443    HA   GLU  59           HA       GLU  59  -1.058   0.562 -12.143
  444   1HB   GLU  59          1HB       GLU  59  -1.326   3.568 -12.274
  445   2HB   GLU  59          2HB       GLU  59  -0.399   2.603 -13.413
  446   1HG   GLU  59          1HG       GLU  59  -2.489   1.380 -13.978
  447   2HG   GLU  59          2HG       GLU  59  -3.369   2.512 -12.954
  448    H    MET  60           H        MET  60  -0.305   0.751  -9.381
  449    HA   MET  60           HA       MET  60   2.323   2.057  -9.524
  450   1HB   MET  60          1HB       MET  60   0.775   2.612  -7.618
  451   2HB   MET  60          2HB       MET  60   0.935   0.947  -7.079
  452   1HG   MET  60          1HG       MET  60   3.325   1.265  -6.765
  453   2HG   MET  60          2HG       MET  60   3.190   2.924  -7.344
  454   1HE   MET  60          1HE       MET  60   4.475   3.673  -5.100
  455   2HE   MET  60          2HE       MET  60   4.511   2.000  -4.541
  456   3HE   MET  60          3HE       MET  60   3.906   3.271  -3.478
  457    H    LEU  61           H        LEU  61   1.037  -0.821 -10.214
  458    HA   LEU  61           HA       LEU  61   3.538  -2.208  -9.855
  459   1HB   LEU  61          1HB       LEU  61   2.376  -2.657  -7.731
  460   2HB   LEU  61          2HB       LEU  61   0.996  -3.281  -8.610
  461    HG   LEU  61           HG       LEU  61   2.360  -5.132  -9.465
  462   1HD1  LEU  61          1HD1      LEU  61   4.553  -3.932  -7.779
  463   2HD1  LEU  61          2HD1      LEU  61   4.522  -4.034  -9.539
  464   3HD1  LEU  61          3HD1      LEU  61   4.613  -5.506  -8.571
  465   1HD2  LEU  61          1HD2      LEU  61   2.678  -6.314  -7.336
  466   2HD2  LEU  61          2HD2      LEU  61   1.143  -5.450  -7.388
  467   3HD2  LEU  61          3HD2      LEU  61   2.495  -4.788  -6.472
  468    H    LYS  62           H        LYS  62   3.751  -2.492 -11.995
  469    HA   LYS  62           HA       LYS  62   1.539  -3.706 -13.496
  470   1HB   LYS  62          1HB       LYS  62   4.009  -2.217 -14.394
  471   2HB   LYS  62          2HB       LYS  62   2.882  -2.995 -15.500
  472   1HG   LYS  62          1HG       LYS  62   1.768  -1.064 -13.547
  473   2HG   LYS  62          2HG       LYS  62   2.729  -0.421 -14.879
  474   1HD   LYS  62          1HD       LYS  62   0.506  -0.408 -15.654
  475   2HD   LYS  62          2HD       LYS  62   1.252  -1.814 -16.413
  476   1HE   LYS  62          1HE       LYS  62   0.253  -3.265 -14.727
  477   2HE   LYS  62          2HE       LYS  62  -0.463  -1.865 -13.931
  478   1HZ   LYS  62          1HZ       LYS  62  -2.069  -2.989 -15.332
  479   2HZ   LYS  62          2HZ       LYS  62  -1.073  -2.794 -16.685
  480   3HZ   LYS  62          3HZ       LYS  62  -1.753  -1.439 -15.934
  481    H    GLY  63           H        GLY  63   1.694  -5.884 -13.357
  482   1HA   GLY  63          1HA       GLY  63   2.604  -7.999 -13.440
  483   2HA   GLY  63          2HA       GLY  63   3.513  -7.350 -14.797
  484    H    THR  64           H        THR  64   3.615  -6.760 -11.305
  485    HA   THR  64           HA       THR  64   5.216  -7.050  -9.730
  486    HB   THR  64           HB       THR  64   6.978  -8.594  -9.939
  487    HG1  THR  64           1HG      THR  64   7.682  -7.661 -12.054
  488   1HG2  THR  64          1HG2      THR  64   4.819  -9.584 -11.801
  489   2HG2  THR  64          2HG2      THR  64   4.738  -9.617 -10.040
  490   3HG2  THR  64          3HG2      THR  64   5.952 -10.577 -10.885
  491    H    GLU  65           H        GLU  65   5.090  -4.751 -11.437
  492    HA   GLU  65           HA       GLU  65   7.895  -3.876 -11.276
  493   1HB   GLU  65          1HB       GLU  65   5.788  -3.108 -13.280
  494   2HB   GLU  65          2HB       GLU  65   7.346  -2.328 -13.137
  495   1HG   GLU  65          1HG       GLU  65   8.472  -4.420 -13.679
  496   2HG   GLU  65          2HG       GLU  65   6.908  -5.224 -13.811
  497    H    LEU  66           H        LEU  66   7.950  -2.666  -9.466
  498    HA   LEU  66           HA       LEU  66   5.804  -1.097  -8.507
  499   1HB   LEU  66          1HB       LEU  66   8.757  -1.050  -7.899
  500   2HB   LEU  66          2HB       LEU  66   7.577  -0.080  -7.042
  501    HG   LEU  66           HG       LEU  66   8.066  -1.962  -5.701
  502   1HD1  LEU  66          1HD1      LEU  66   5.430  -2.434  -7.067
  503   2HD1  LEU  66          2HD1      LEU  66   5.725  -1.322  -5.732
  504   3HD1  LEU  66          3HD1      LEU  66   5.899  -3.059  -5.487
  505   1HD2  LEU  66          1HD2      LEU  66   8.956  -3.351  -7.599
  506   2HD2  LEU  66          2HD2      LEU  66   7.285  -3.839  -7.897
  507   3HD2  LEU  66          3HD2      LEU  66   8.052  -4.208  -6.354
  508    H    TYR  67           H        TYR  67   5.512   1.155  -8.548
  509    HA   TYR  67           HA       TYR  67   7.154   2.614 -10.507
  510   1HB   TYR  67          1HB       TYR  67   4.180   2.388 -10.327
  511   2HB   TYR  67          2HB       TYR  67   4.882   3.897 -10.898
  512    HD1  TYR  67           1HD      TYR  67   4.676   0.262 -11.568
  513    HD2  TYR  67           2HD      TYR  67   5.747   4.085 -13.092
  514    HE1  TYR  67           1HE      TYR  67   4.919  -0.708 -13.814
  515    HE2  TYR  67           2HE      TYR  67   5.993   3.127 -15.345
  516    HH   TYR  67           HH       TYR  67   4.878   0.011 -16.147
  517    H    VAL  68           H        VAL  68   6.797   5.047 -10.315
  518    HA   VAL  68           HA       VAL  68   6.570   5.804  -7.473
  519    HB   VAL  68           HB       VAL  68   8.515   6.980  -9.464
  520   1HG1  VAL  68          1HG1      VAL  68   9.501   8.051  -7.483
  521   2HG1  VAL  68          2HG1      VAL  68   8.201   7.388  -6.492
  522   3HG1  VAL  68          3HG1      VAL  68   7.836   8.561  -7.757
  523   1HG2  VAL  68          1HG2      VAL  68  10.252   5.839  -8.112
  524   2HG2  VAL  68          2HG2      VAL  68   9.187   4.723  -8.968
  525   3HG2  VAL  68          3HG2      VAL  68   8.970   4.999  -7.241
  526    H    GLU  69           H        GLU  69   5.900   6.552 -10.787
  527    HA   GLU  69           HA       GLU  69   5.174   9.250 -10.541
  528   1HB   GLU  69          1HB       GLU  69   4.150   7.168 -12.477
  529   2HB   GLU  69          2HB       GLU  69   3.937   8.905 -12.650
  530   1HG   GLU  69          1HG       GLU  69   6.353   9.197 -12.802
  531   2HG   GLU  69          2HG       GLU  69   6.577   7.459 -12.606
  532    HA   PRO  70           HA       PRO  70   0.606   7.656  -9.939
  533   1HB   PRO  70          1HB       PRO  70   0.367   5.219  -8.727
  534   2HB   PRO  70          2HB       PRO  70   0.316   5.457 -10.478
  535   1HG   PRO  70          1HG       PRO  70   2.600   4.585  -8.749
  536   2HG   PRO  70          2HG       PRO  70   2.081   3.955 -10.325
  537   1HD   PRO  70          1HD       PRO  70   4.160   5.638 -10.087
  538   2HD   PRO  70          2HD       PRO  70   3.073   5.689 -11.488
  539    H    VAL  71           H        VAL  71   2.950   6.393  -7.556
  540    HA   VAL  71           HA       VAL  71   1.329   6.938  -5.308
  541    HB   VAL  71           HB       VAL  71   3.386   5.415  -5.465
  542   1HG1  VAL  71          1HG1      VAL  71   5.007   7.028  -6.232
  543   2HG1  VAL  71          2HG1      VAL  71   5.484   6.372  -4.667
  544   3HG1  VAL  71          3HG1      VAL  71   4.775   7.982  -4.767
  545   1HG2  VAL  71          1HG2      VAL  71   2.081   5.723  -3.440
  546   2HG2  VAL  71          2HG2      VAL  71   2.992   7.184  -3.064
  547   3HG2  VAL  71          3HG2      VAL  71   3.800   5.617  -3.060
  548    H    TYR  72           H        TYR  72   3.967   8.788  -6.788
  549    HA   TYR  72           HA       TYR  72   3.968  10.917  -4.964
  550   1HB   TYR  72          1HB       TYR  72   4.791  10.663  -7.832
  551   2HB   TYR  72          2HB       TYR  72   4.763  12.250  -7.084
  552    HD1  TYR  72           1HD      TYR  72   7.202  12.456  -7.477
  553    HD2  TYR  72           2HD      TYR  72   5.601   9.361  -5.042
  554    HE1  TYR  72           1HE      TYR  72   9.438  12.049  -6.541
  555    HE2  TYR  72           2HE      TYR  72   7.832   8.941  -4.099
  556    HH   TYR  72           HH       TYR  72  10.191   9.291  -4.720
  557    H    LYS  73           H        LYS  73   1.723  10.033  -7.400
  558    HA   LYS  73           HA       LYS  73   0.524  12.652  -7.639
  559   1HB   LYS  73          1HB       LYS  73   0.547  11.247  -9.596
  560   2HB   LYS  73          2HB       LYS  73  -0.262   9.950  -8.730
  561   1HG   LYS  73          1HG       LYS  73  -1.841  11.030 -10.163
  562   2HG   LYS  73          2HG       LYS  73  -2.249  11.406  -8.489
  563   1HD   LYS  73          1HD       LYS  73  -0.980  13.558  -8.776
  564   2HD   LYS  73          2HD       LYS  73  -0.881  13.187 -10.496
  565   1HE   LYS  73          1HE       LYS  73  -3.401  13.554  -8.881
  566   2HE   LYS  73          2HE       LYS  73  -2.741  14.683 -10.063
  567   1HZ   LYS  73          1HZ       LYS  73  -4.528  13.379 -11.009
  568   2HZ   LYS  73          2HZ       LYS  73  -3.720  11.939 -10.643
  569   3HZ   LYS  73          3HZ       LYS  73  -3.069  13.008 -11.781
  570    H    MET  74           H        MET  74  -0.380   9.520  -6.181
  571    HA   MET  74           HA       MET  74  -2.907  10.457  -5.279
  572   1HB   MET  74          1HB       MET  74  -2.921   8.378  -3.892
  573   2HB   MET  74          2HB       MET  74  -2.666   8.108  -5.610
  574   1HG   MET  74          1HG       MET  74  -0.614   7.271  -5.309
  575   2HG   MET  74          2HG       MET  74  -0.219   8.403  -4.020
  576   1HE   MET  74          1HE       MET  74  -2.383   5.233  -4.891
  577   2HE   MET  74          2HE       MET  74  -3.486   6.240  -3.952
  578   3HE   MET  74          3HE       MET  74  -2.897   4.719  -3.284
  579    H    ILE  75           H        ILE  75   0.259  10.089  -3.721
  580    HA   ILE  75           HA       ILE  75  -0.396  10.587  -1.100
  581    HB   ILE  75           HB       ILE  75   2.020  11.577  -2.621
  582   1HG1  ILE  75          1HG1      ILE  75   1.770   9.226  -0.742
  583   2HG1  ILE  75          2HG1      ILE  75   1.582   9.086  -2.486
  584   1HG2  ILE  75          1HG2      ILE  75   1.726  12.894  -0.595
  585   2HG2  ILE  75          2HG2      ILE  75   3.105  11.806  -0.431
  586   3HG2  ILE  75          3HG2      ILE  75   1.578  11.418   0.360
  587   1HD1  ILE  75          1HD1      ILE  75   3.813   8.445  -1.766
  588   2HD1  ILE  75          2HD1      ILE  75   4.049  10.043  -1.057
  589   3HD1  ILE  75          3HD1      ILE  75   3.861   9.873  -2.801
  590    H    GLU  76           H        GLU  76  -0.394  12.794  -3.788
  591    HA   GLU  76           HA       GLU  76  -0.305  15.229  -2.436
  592   1HB   GLU  76          1HB       GLU  76  -1.833  14.596  -4.959
  593   2HB   GLU  76          2HB       GLU  76  -1.337  16.196  -4.418
  594   1HG   GLU  76          1HG       GLU  76   1.025  15.412  -4.532
  595   2HG   GLU  76          2HG       GLU  76   0.434  13.929  -5.266
  596    H    VAL  77           H        VAL  77  -3.246  13.534  -3.597
  597    HA   VAL  77           HA       VAL  77  -4.921  15.231  -1.943
  598    HB   VAL  77           HB       VAL  77  -5.705  12.863  -3.653
  599   1HG1  VAL  77          1HG1      VAL  77  -7.365  15.067  -2.431
  600   2HG1  VAL  77          2HG1      VAL  77  -7.365  13.369  -1.954
  601   3HG1  VAL  77          3HG1      VAL  77  -7.960  13.838  -3.547
  602   1HG2  VAL  77          1HG2      VAL  77  -6.399  14.538  -5.309
  603   2HG2  VAL  77          2HG2      VAL  77  -4.664  14.603  -4.998
  604   3HG2  VAL  77          3HG2      VAL  77  -5.732  15.813  -4.288
  605    H    VAL  78           H        VAL  78  -3.888  11.883  -2.066
  606    HA   VAL  78           HA       VAL  78  -5.454  10.805  -0.042
  607    HB   VAL  78           HB       VAL  78  -2.685  10.064  -1.005
  608   1HG1  VAL  78          1HG1      VAL  78  -4.486   8.540   0.882
  609   2HG1  VAL  78          2HG1      VAL  78  -2.894   9.205   1.247
  610   3HG1  VAL  78          3HG1      VAL  78  -3.051   7.879   0.098
  611   1HG2  VAL  78          1HG2      VAL  78  -5.398   8.854  -1.517
  612   2HG2  VAL  78          2HG2      VAL  78  -3.865   8.270  -2.163
  613   3HG2  VAL  78          3HG2      VAL  78  -4.478   9.853  -2.641
  614    H    HIS  79           H        HIS  79  -3.149  13.221   0.229
  615    HA   HIS  79           HA       HIS  79  -3.129  12.958   3.132
  616   1HB   HIS  79          1HB       HIS  79  -0.642  13.228   1.441
  617   2HB   HIS  79          2HB       HIS  79  -0.678  13.572   3.164
  618    HD1  HIS  79           1HD      HIS  79  -1.020  11.530   4.768
  619    HD2  HIS  79           2HD      HIS  79  -0.567  10.542   0.759
  620    HE1  HIS  79           1HE      HIS  79  -0.567   9.058   4.733
  621    HE2  HIS  79           2HE      HIS  79  -0.367   8.468   2.291
  622    H    ALA  80           H        ALA  80  -4.764  14.670   2.090
  623    HA   ALA  80           HA       ALA  80  -3.590  17.220   1.473
  624   1HB   ALA  80          1HB       ALA  80  -5.734  16.512   0.507
  625   2HB   ALA  80          2HB       ALA  80  -5.873  18.034   1.386
  626   3HB   ALA  80          3HB       ALA  80  -6.456  16.538   2.115
  627    H    GLY  81           H        GLY  81  -3.300  18.956   2.770
  628   1HA   GLY  81          1HA       GLY  81  -4.369  19.913   4.963
  629   2HA   GLY  81          2HA       GLY  81  -3.585  18.499   5.649
  630    H    ASN  82           H        ASN  82  -1.187  18.376   4.503
  631    HA   ASN  82           HA       ASN  82   0.040  21.020   4.921
  632   1HB   ASN  82          1HB       ASN  82   0.970  18.355   6.000
  633   2HB   ASN  82          2HB       ASN  82   1.970  19.804   5.993
  634   1HD2  ASN  82          1HD2      ASN  82   1.507  21.471   7.399
  635   2HD2  ASN  82          2HD2      ASN  82   0.411  21.297   8.723
  636    H    ALA  83           H        ALA  83   2.065  21.348   3.845
  637    HA   ALA  83           HA       ALA  83   2.135  20.083   1.253
  638   1HB   ALA  83          1HB       ALA  83   2.480  22.501   1.495
  639   2HB   ALA  83          2HB       ALA  83   3.858  21.715   0.722
  640   3HB   ALA  83          3HB       ALA  83   3.952  22.192   2.416
  641    H    ASP  84           H        ASP  84   3.949  19.907   4.235
  642    HA   ASP  84           HA       ASP  84   6.120  18.435   3.019
  643   1HB   ASP  84          1HB       ASP  84   7.022  18.246   5.267
  644   2HB   ASP  84          2HB       ASP  84   6.572  19.915   4.923
  645    H    ASP  85           H        ASP  85   3.160  17.758   4.730
  646    HA   ASP  85           HA       ASP  85   3.615  15.125   5.514
  647   1HB   ASP  85          1HB       ASP  85   1.140  16.616   4.683
  648   2HB   ASP  85          2HB       ASP  85   1.058  14.891   5.034
  649    H    ILE  86           H        ILE  86   3.037  16.528   2.405
  650    HA   ILE  86           HA       ILE  86   2.631  14.012   1.056
  651    HB   ILE  86           HB       ILE  86   3.088  16.807  -0.018
  652   1HG1  ILE  86          1HG1      ILE  86   0.546  15.173   0.163
  653   2HG1  ILE  86          2HG1      ILE  86   0.985  16.470   1.270
  654   1HG2  ILE  86          1HG2      ILE  86   2.335  15.933  -2.170
  655   2HG2  ILE  86          2HG2      ILE  86   2.223  14.314  -1.483
  656   3HG2  ILE  86          3HG2      ILE  86   3.793  15.103  -1.626
  657   1HD1  ILE  86          1HD1      ILE  86  -0.617  17.199  -0.424
  658   2HD1  ILE  86          2HD1      ILE  86   0.542  16.788  -1.689
  659   3HD1  ILE  86          3HD1      ILE  86   0.910  18.075  -0.541
  660    H    GLN  87           H        GLN  87   5.197  16.215   1.832
  661    HA   GLN  87           HA       GLN  87   7.121  15.121   0.020
  662   1HB   GLN  87          1HB       GLN  87   7.999  17.130   0.487
  663   2HB   GLN  87          2HB       GLN  87   6.958  17.321   1.886
  664   1HG   GLN  87          1HG       GLN  87   8.510  16.199   3.285
  665   2HG   GLN  87          2HG       GLN  87   9.521  15.758   1.911
  666   1HE2  GLN  87          1HE2      GLN  87   7.990  18.876   2.252
  667   2HE2  GLN  87          2HE2      GLN  87   9.440  19.779   2.517
  668    H    LEU  88           H        LEU  88   5.940  14.344   3.142
  669    HA   LEU  88           HA       LEU  88   8.235  12.892   4.047
  670   1HB   LEU  88          1HB       LEU  88   6.682  13.853   5.646
  671   2HB   LEU  88          2HB       LEU  88   5.367  12.905   4.985
  672    HG   LEU  88           HG       LEU  88   6.506  10.842   5.750
  673   1HD1  LEU  88          1HD1      LEU  88   8.421  12.769   7.054
  674   2HD1  LEU  88          2HD1      LEU  88   8.799  11.645   5.749
  675   3HD1  LEU  88          3HD1      LEU  88   8.358  11.031   7.342
  676   1HD2  LEU  88          1HD2      LEU  88   6.031  11.151   8.128
  677   2HD2  LEU  88          2HD2      LEU  88   4.782  11.881   7.119
  678   3HD2  LEU  88          3HD2      LEU  88   5.996  12.899   7.895
  679    H    VAL  89           H        VAL  89   4.958  11.846   3.106
  680    HA   VAL  89           HA       VAL  89   5.448   9.113   3.014
  681    HB   VAL  89           HB       VAL  89   3.564  10.614   1.195
  682   1HG1  VAL  89          1HG1      VAL  89   3.819   8.310   0.545
  683   2HG1  VAL  89          2HG1      VAL  89   2.245   8.520   1.316
  684   3HG1  VAL  89          3HG1      VAL  89   3.573   7.775   2.207
  685   1HG2  VAL  89          1HG2      VAL  89   1.876  10.228   2.970
  686   2HG2  VAL  89          2HG2      VAL  89   3.164  11.328   3.458
  687   3HG2  VAL  89          3HG2      VAL  89   3.170   9.661   4.027
  688    H    LYS  90           H        LYS  90   6.010  11.600   0.603
  689    HA   LYS  90           HA       LYS  90   6.485  10.064  -1.653
  690   1HB   LYS  90          1HB       LYS  90   6.909  12.749  -0.822
  691   2HB   LYS  90          2HB       LYS  90   8.392  12.188  -1.578
  692   1HG   LYS  90          1HG       LYS  90   7.497  12.524  -3.573
  693   2HG   LYS  90          2HG       LYS  90   6.230  11.359  -3.205
  694   1HD   LYS  90          1HD       LYS  90   4.856  13.079  -2.241
  695   2HD   LYS  90          2HD       LYS  90   6.146  14.261  -2.446
  696   1HE   LYS  90          1HE       LYS  90   4.885  12.761  -4.727
  697   2HE   LYS  90          2HE       LYS  90   4.326  14.336  -4.175
  698   1HZ   LYS  90          1HZ       LYS  90   7.062  13.741  -5.160
  699   2HZ   LYS  90          2HZ       LYS  90   6.492  15.257  -4.674
  700   3HZ   LYS  90          3HZ       LYS  90   5.850  14.515  -6.050
  701    H    GLY  91           H        GLY  91   8.539  10.704   1.114
  702   1HA   GLY  91          1HA       GLY  91  10.839   9.409  -0.102
  703   2HA   GLY  91          2HA       GLY  91  10.765  10.111   1.506
  704    H    ILE  92           H        ILE  92   8.281   8.619   2.139
  705    HA   ILE  92           HA       ILE  92   9.476   6.348   3.319
  706    HB   ILE  92           HB       ILE  92   6.524   6.788   2.866
  707   1HG1  ILE  92          1HG1      ILE  92   7.375   8.756   3.952
  708   2HG1  ILE  92          2HG1      ILE  92   6.552   7.782   5.163
  709   1HG2  ILE  92          1HG2      ILE  92   8.032   5.155   4.901
  710   2HG2  ILE  92          2HG2      ILE  92   7.057   4.540   3.567
  711   3HG2  ILE  92          3HG2      ILE  92   6.288   5.409   4.895
  712   1HD1  ILE  92          1HD1      ILE  92   9.526   7.989   4.758
  713   2HD1  ILE  92          2HD1      ILE  92   8.731   6.942   5.931
  714   3HD1  ILE  92          3HD1      ILE  92   8.585   8.694   6.073
  715    H    ALA  93           H        ALA  93   7.604   6.824   0.382
  716    HA   ALA  93           HA       ALA  93   7.185   4.077  -0.199
  717   1HB   ALA  93          1HB       ALA  93   6.608   4.849  -2.452
  718   2HB   ALA  93          2HB       ALA  93   7.239   6.450  -2.063
  719   3HB   ALA  93          3HB       ALA  93   5.826   5.826  -1.209
  720    H    ASN  94           H        ASN  94   9.936   6.082  -0.410
  721    HA   ASN  94           HA       ASN  94  11.252   4.736  -2.560
  722   1HB   ASN  94          1HB       ASN  94  11.800   7.054  -1.934
  723   2HB   ASN  94          2HB       ASN  94  12.406   6.489  -0.381
  724   1HD2  ASN  94          1HD2      ASN  94  12.975   6.630  -3.802
  725   2HD2  ASN  94          2HD2      ASN  94  14.635   6.155  -3.750
  726    H    GLU  95           H        GLU  95  11.351   4.489   0.969
  727    HA   GLU  95           HA       GLU  95  13.515   2.703   1.138
  728   1HB   GLU  95          1HB       GLU  95  12.486   4.017   3.036
  729   2HB   GLU  95          2HB       GLU  95  11.193   2.822   3.072
  730   1HG   GLU  95          1HG       GLU  95  12.895   2.377   4.758
  731   2HG   GLU  95          2HG       GLU  95  12.785   1.072   3.579
  732    H    CYS  96           H        CYS  96  10.312   2.220   0.059
  733    HA   CYS  96           HA       CYS  96  10.283  -0.620   0.642
  734   1HB   CYS  96          1HB       CYS  96   8.352   1.244  -0.723
  735   2HB   CYS  96          2HB       CYS  96   8.123  -0.501  -0.736
  736    H    ILE  97           H        ILE  97  10.225   1.373  -2.323
  737    HA   ILE  97           HA       ILE  97  10.369  -0.638  -4.208
  738    HB   ILE  97           HB       ILE  97  11.830   1.998  -4.400
  739   1HG1  ILE  97          1HG1      ILE  97   8.980   1.385  -5.201
  740   2HG1  ILE  97          2HG1      ILE  97   9.421   2.194  -3.701
  741   1HG2  ILE  97          1HG2      ILE  97  12.400   0.405  -6.155
  742   2HG2  ILE  97          2HG2      ILE  97  11.455   1.745  -6.805
  743   3HG2  ILE  97          3HG2      ILE  97  10.689   0.183  -6.521
  744   1HD1  ILE  97          1HD1      ILE  97  10.467   3.991  -5.016
  745   2HD1  ILE  97          2HD1      ILE  97   8.743   3.812  -5.343
  746   3HD1  ILE  97          3HD1      ILE  97   9.928   3.191  -6.493
  747    H    GLU  98           H        GLU  98  12.900   0.613  -2.143
  748    HA   GLU  98           HA       GLU  98  15.109  -0.469  -3.539
  749   1HB   GLU  98          1HB       GLU  98  14.780   0.235  -0.618
  750   2HB   GLU  98          2HB       GLU  98  16.313  -0.185  -1.370
  751   1HG   GLU  98          1HG       GLU  98  16.139   1.747  -2.836
  752   2HG   GLU  98          2HG       GLU  98  14.582   2.160  -2.121
  753    H    ASN  99           H        ASN  99  13.317  -1.636  -0.695
  754    HA   ASN  99           HA       ASN  99  14.698  -4.172  -0.739
  755   1HB   ASN  99          1HB       ASN  99  13.737  -4.569   1.316
  756   2HB   ASN  99          2HB       ASN  99  13.677  -2.809   1.292
  757   1HD2  ASN  99          1HD2      ASN  99  11.699  -1.783   0.813
  758   2HD2  ASN  99          2HD2      ASN  99  10.196  -2.593   1.076
  759    H    ALA 100           H        ALA 100  12.221  -2.860  -2.487
  760    HA   ALA 100           HA       ALA 100  11.070  -5.510  -3.071
  761   1HB   ALA 100          1HB       ALA 100   9.440  -4.086  -1.920
  762   2HB   ALA 100          2HB       ALA 100   8.947  -4.423  -3.581
  763   3HB   ALA 100          3HB       ALA 100   9.639  -2.854  -3.167
  764    H    LYS 101           H        LYS 101  13.347  -4.478  -4.310
  765    HA   LYS 101           HA       LYS 101  13.216  -3.032  -6.576
  766   1HB   LYS 101          1HB       LYS 101  15.055  -4.303  -7.457
  767   2HB   LYS 101          2HB       LYS 101  15.249  -4.144  -5.714
  768   1HG   LYS 101          1HG       LYS 101  13.886  -6.519  -6.840
  769   2HG   LYS 101          2HG       LYS 101  15.648  -6.434  -6.868
  770   1HD   LYS 101          1HD       LYS 101  15.802  -6.796  -4.653
  771   2HD   LYS 101          2HD       LYS 101  14.452  -5.721  -4.290
  772   1HE   LYS 101          1HE       LYS 101  13.804  -7.909  -3.618
  773   2HE   LYS 101          2HE       LYS 101  12.917  -7.532  -5.094
  774   1HZ   LYS 101          1HZ       LYS 101  15.370  -9.199  -4.921
  775   2HZ   LYS 101          2HZ       LYS 101  14.550  -8.812  -6.349
  776   3HZ   LYS 101          3HZ       LYS 101  13.796  -9.767  -5.176
  777    H    GLY 102           H        GLY 102  11.931  -6.284  -6.186
  778   1HA   GLY 102          1HA       GLY 102   9.897  -6.255  -7.894
  779   2HA   GLY 102          2HA       GLY 102  11.238  -6.404  -9.018
  780    H    GLU 103           H        GLU 103   9.821  -7.939  -6.141
  781    HA   GLU 103           HA       GLU 103  11.156 -10.398  -6.373
  782   1HB   GLU 103          1HB       GLU 103   8.527  -9.623  -5.119
  783   2HB   GLU 103          2HB       GLU 103   9.140 -11.269  -5.058
  784   1HG   GLU 103          1HG       GLU 103  10.724  -8.919  -4.074
  785   2HG   GLU 103          2HG       GLU 103   9.594  -9.807  -3.050
  786    H    THR 104           H        THR 104  10.469 -12.402  -7.209
  787    HA   THR 104           HA       THR 104   9.149 -12.232  -9.727
  788    HB   THR 104           HB       THR 104   9.973 -14.719  -8.224
  789    HG1  THR 104           1HG      THR 104  11.667 -13.064  -8.625
  790   1HG2  THR 104          1HG2      THR 104  10.153 -15.678 -10.484
  791   2HG2  THR 104          2HG2      THR 104   9.535 -14.170 -11.157
  792   3HG2  THR 104          3HG2      THR 104   8.511 -15.154 -10.112
  793    H    ASP 105           H        ASP 105   8.158 -13.040  -6.506
  794    HA   ASP 105           HA       ASP 105   5.666 -14.217  -7.499
  795   1HB   ASP 105          1HB       ASP 105   6.808 -15.500  -5.774
  796   2HB   ASP 105          2HB       ASP 105   6.807 -14.103  -4.703
  797    H    GLU 106           H        GLU 106   3.658 -13.392  -7.006
  798    HA   GLU 106           HA       GLU 106   3.359 -10.629  -6.916
  799   1HB   GLU 106          1HB       GLU 106   1.632 -12.158  -7.757
  800   2HB   GLU 106          2HB       GLU 106   1.352 -12.747  -6.124
  801   1HG   GLU 106          1HG       GLU 106   0.568 -10.559  -5.439
  802   2HG   GLU 106          2HG       GLU 106   0.917  -9.913  -7.042
  803    H    CYS 107           H        CYS 107   2.211 -12.795  -4.319
  804    HA   CYS 107           HA       CYS 107   1.862 -10.902  -2.371
  805   1HB   CYS 107          1HB       CYS 107   2.512 -13.822  -2.249
  806   2HB   CYS 107          2HB       CYS 107   2.417 -12.883  -0.763
  807    H    ASN 108           H        ASN 108   4.863 -12.179  -3.541
  808    HA   ASN 108           HA       ASN 108   6.437 -11.502  -1.271
  809   1HB   ASN 108          1HB       ASN 108   7.078 -12.158  -4.129
  810   2HB   ASN 108          2HB       ASN 108   8.335 -11.573  -3.042
  811   1HD2  ASN 108          1HD2      ASN 108   9.459 -13.499  -3.102
  812   2HD2  ASN 108          2HD2      ASN 108   8.896 -14.930  -2.313
  813    H    ILE 109           H        ILE 109   6.174  -9.912  -4.477
  814    HA   ILE 109           HA       ILE 109   7.626  -7.632  -3.895
  815    HB   ILE 109           HB       ILE 109   5.610  -8.364  -5.893
  816   1HG1  ILE 109          1HG1      ILE 109   8.112  -6.667  -5.932
  817   2HG1  ILE 109          2HG1      ILE 109   7.993  -8.369  -6.354
  818   1HG2  ILE 109          1HG2      ILE 109   5.928  -5.450  -5.179
  819   2HG2  ILE 109          2HG2      ILE 109   4.451  -6.406  -5.054
  820   3HG2  ILE 109          3HG2      ILE 109   5.147  -6.064  -6.637
  821   1HD1  ILE 109          1HD1      ILE 109   6.548  -7.776  -8.247
  822   2HD1  ILE 109          2HD1      ILE 109   8.147  -7.039  -8.344
  823   3HD1  ILE 109          3HD1      ILE 109   6.759  -6.071  -7.845
  824    H    GLY 110           H        GLY 110   4.221  -8.325  -3.284
  825   1HA   GLY 110          1HA       GLY 110   3.548  -5.753  -2.308
  826   2HA   GLY 110          2HA       GLY 110   2.636  -7.229  -2.041
  827    H    ASN 111           H        ASN 111   4.773  -8.672  -0.726
  828    HA   ASN 111           HA       ASN 111   4.336  -7.726   1.914
  829   1HB   ASN 111          1HB       ASN 111   5.424 -10.088   0.723
  830   2HB   ASN 111          2HB       ASN 111   6.534  -9.504   1.957
  831   1HD2  ASN 111          1HD2      ASN 111   4.483  -8.254   3.518
  832   2HD2  ASN 111          2HD2      ASN 111   3.644  -9.531   4.311
  833    H    LYS 112           H        LYS 112   7.080  -7.577  -0.285
  834    HA   LYS 112           HA       LYS 112   8.953  -6.493   1.501
  835   1HB   LYS 112          1HB       LYS 112   8.703  -6.136  -1.494
  836   2HB   LYS 112          2HB       LYS 112  10.122  -5.705  -0.551
  837   1HG   LYS 112          1HG       LYS 112   9.003  -8.492  -0.695
  838   2HG   LYS 112          2HG       LYS 112  10.273  -7.883  -1.757
  839   1HD   LYS 112          1HD       LYS 112  11.694  -7.444   0.168
  840   2HD   LYS 112          2HD       LYS 112  10.416  -7.989   1.257
  841   1HE   LYS 112          1HE       LYS 112  10.523 -10.221   0.272
  842   2HE   LYS 112          2HE       LYS 112  11.785  -9.680  -0.835
  843   1HZ   LYS 112          1HZ       LYS 112  12.700 -10.857   1.070
  844   2HZ   LYS 112          2HZ       LYS 112  12.003  -9.737   2.127
  845   3HZ   LYS 112          3HZ       LYS 112  13.216  -9.247   1.056
  846    H    TYR 113           H        TYR 113   6.276  -5.117  -0.204
  847    HA   TYR 113           HA       TYR 113   7.123  -2.381   0.236
  848   1HB   TYR 113          1HB       TYR 113   5.482  -3.636  -1.624
  849   2HB   TYR 113          2HB       TYR 113   4.368  -2.713  -0.621
  850    HD1  TYR 113           1HD      TYR 113   4.477  -0.278  -0.556
  851    HD2  TYR 113           2HD      TYR 113   7.119  -2.524  -3.022
  852    HE1  TYR 113           1HE      TYR 113   5.056   1.768  -1.789
  853    HE2  TYR 113           2HE      TYR 113   7.708  -0.482  -4.259
  854    HH   TYR 113           HH       TYR 113   6.742   1.725  -4.733
  855    H    THR 114           H        THR 114   4.228  -4.272   1.142
  856    HA   THR 114           HA       THR 114   3.016  -2.502   2.822
  857    HB   THR 114           HB       THR 114   1.999  -4.638   2.240
  858    HG1  THR 114           1HG      THR 114   1.442  -3.442   4.246
  859   1HG2  THR 114          1HG2      THR 114   3.890  -5.879   4.240
  860   2HG2  THR 114          2HG2      THR 114   4.039  -6.029   2.489
  861   3HG2  THR 114          3HG2      THR 114   2.635  -6.706   3.314
  862    H    ASP 115           H        ASP 115   5.584  -4.783   3.694
  863    HA   ASP 115           HA       ASP 115   5.743  -4.465   6.398
  864   1HB   ASP 115          1HB       ASP 115   7.165  -6.038   5.301
  865   2HB   ASP 115          2HB       ASP 115   7.960  -4.766   4.375
  866    H    CYS 116           H        CYS 116   7.704  -2.547   4.115
  867    HA   CYS 116           HA       CYS 116   8.730  -0.814   6.080
  868   1HB   CYS 116          1HB       CYS 116   9.088   0.655   3.887
  869   2HB   CYS 116          2HB       CYS 116  10.064  -0.769   4.239
  870    H    TYR 117           H        TYR 117   6.095  -0.287   3.727
  871    HA   TYR 117           HA       TYR 117   5.540   2.350   4.295
  872   1HB   TYR 117          1HB       TYR 117   4.258   0.247   2.894
  873   2HB   TYR 117          2HB       TYR 117   3.048   1.006   3.926
  874    HD1  TYR 117           1HD      TYR 117   2.622   3.461   3.715
  875    HD2  TYR 117           2HD      TYR 117   5.085   1.353   0.961
  876    HE1  TYR 117           1HE      TYR 117   2.410   5.316   2.115
  877    HE2  TYR 117           2HE      TYR 117   4.879   3.202  -0.647
  878    HH   TYR 117           HH       TYR 117   3.336   5.053  -1.133
  879    H    ILE 118           H        ILE 118   4.545  -0.503   6.112
  880    HA   ILE 118           HA       ILE 118   2.840   0.997   7.888
  881    HB   ILE 118           HB       ILE 118   3.920  -1.811   8.175
  882   1HG1  ILE 118          1HG1      ILE 118   2.512  -1.460   6.152
  883   2HG1  ILE 118          2HG1      ILE 118   1.784  -2.563   7.313
  884   1HG2  ILE 118          1HG2      ILE 118   2.003  -2.086   9.747
  885   2HG2  ILE 118          2HG2      ILE 118   1.749  -0.343   9.661
  886   3HG2  ILE 118          3HG2      ILE 118   3.256  -0.984  10.317
  887   1HD1  ILE 118          1HD1      ILE 118   1.063   0.341   6.988
  888   2HD1  ILE 118          2HD1      ILE 118   0.294  -0.816   8.075
  889   3HD1  ILE 118          3HD1      ILE 118   0.159  -1.022   6.328
  890    H    GLU 119           H        GLU 119   6.174   0.002   7.801
  891    HA   GLU 119           HA       GLU 119   6.717   0.295  10.569
  892   1HB   GLU 119          1HB       GLU 119   8.129  -1.030   9.053
  893   2HB   GLU 119          2HB       GLU 119   8.619   0.442   8.229
  894   1HG   GLU 119          1HG       GLU 119   9.696   1.252  10.233
  895   2HG   GLU 119          2HG       GLU 119   9.125  -0.151  11.134
  896    H    LYS 120           H        LYS 120   7.430   2.457   7.801
  897    HA   LYS 120           HA       LYS 120   8.279   4.538   9.618
  898   1HB   LYS 120          1HB       LYS 120   8.033   4.505   6.612
  899   2HB   LYS 120          2HB       LYS 120   8.681   5.846   7.543
  900   1HG   LYS 120          1HG       LYS 120  10.571   4.722   6.821
  901   2HG   LYS 120          2HG       LYS 120  10.353   4.126   8.468
  902   1HD   LYS 120          1HD       LYS 120   9.328   2.102   7.643
  903   2HD   LYS 120          2HD       LYS 120   9.380   2.710   5.988
  904   1HE   LYS 120          1HE       LYS 120  11.809   2.717   6.050
  905   2HE   LYS 120          2HE       LYS 120  11.786   2.169   7.722
  906   1HZ   LYS 120          1HZ       LYS 120  10.683   0.132   6.979
  907   2HZ   LYS 120          2HZ       LYS 120  12.192   0.327   6.242
  908   3HZ   LYS 120          3HZ       LYS 120  10.780   0.659   5.373
  909    H    LEU 121           H        LEU 121   5.737   4.324   7.104
  910    HA   LEU 121           HA       LEU 121   4.503   6.717   8.237
  911   1HB   LEU 121          1HB       LEU 121   4.901   6.551   5.798
  912   2HB   LEU 121          2HB       LEU 121   3.788   5.197   5.739
  913    HG   LEU 121           HG       LEU 121   1.977   6.682   6.529
  914   1HD1  LEU 121          1HD1      LEU 121   3.332   8.342   7.688
  915   2HD1  LEU 121          2HD1      LEU 121   2.314   9.104   6.467
  916   3HD1  LEU 121          3HD1      LEU 121   4.031   8.856   6.154
  917   1HD2  LEU 121          1HD2      LEU 121   3.393   7.573   4.024
  918   2HD2  LEU 121          2HD2      LEU 121   1.702   7.883   4.416
  919   3HD2  LEU 121          3HD2      LEU 121   2.259   6.230   4.158
  920    H    PHE 122           H        PHE 122   4.117   3.358   8.510
  921    HA   PHE 122           HA       PHE 122   2.541   2.085   9.540
  922   1HB   PHE 122          1HB       PHE 122   2.138   3.354  11.381
  923   2HB   PHE 122          2HB       PHE 122   1.853   4.814  10.445
  924    HD1  PHE 122           1HD      PHE 122   0.319   1.654  11.585
  925    HD2  PHE 122           2HD      PHE 122  -0.334   5.530   9.958
  926    HE1  PHE 122           1HE      PHE 122  -2.097   1.405  11.975
  927    HE2  PHE 122           2HE      PHE 122  -2.749   5.290  10.346
  928    HZ   PHE 122           HZ       PHE 122  -3.645   3.221  11.299
  929    H    SER 123           H        SER 123   1.755   4.271   7.056
  930    HA   SER 123           HA       SER 123  -0.933   3.699   6.567
  931   1HB   SER 123          1HB       SER 123   0.185   5.524   5.428
  932   2HB   SER 123          2HB       SER 123   1.283   4.399   4.629
  933    HG   SER 123           HG       SER 123  -0.425   5.005   3.253
  934   1H4   TSD 124          1H4       TSP 124   0.655   1.986   1.017
  935   2H4   TSD 124          2H4       TSP 124  -0.215   2.342   2.493
  936   3H4   TSD 124          3H4       TSP 124  -1.019   2.488   0.947
  937   1H5   TSD 124          1H5       TSP 124   0.966  -1.422   1.522
  938   2H5   TSD 124          2H5       TSP 124   0.131  -1.490   3.057
  939   3H5   TSD 124          3H5       TSP 124   1.269  -0.202   2.739
  940   1H6   TSD 124          1H6       TSP 124  -0.858  -1.396  -0.200
  941   2H6   TSD 124          2H6       TSP 124  -0.967   0.246  -0.787
  942   3H6   TSD 124          3H6       TSP 124  -2.370  -0.527  -0.087
  943   1D3   TSD 124          1D3       TSP 124  -2.564  -0.964   2.782
  944   2D3   TSD 124          2D3       TSP 124  -1.952   0.389   3.712
  945   1D2   TSD 124          1D2       TSP 124  -3.834   0.602   1.341
  946   2D2   TSD 124          2D2       TSP 124  -3.230   1.956   2.296
  Start of MODEL    5
    1    HA   ILE   1           HA       ILE   1   1.133  13.708  10.267
    2    HB   ILE   1           HB       ILE   1   0.568  12.058   8.403
    3   1HG1  ILE   1          1HG1      ILE   1   2.428  10.251   8.247
    4   2HG1  ILE   1          2HG1      ILE   1   2.562  10.460   9.989
    5   1HG2  ILE   1          1HG2      ILE   1   2.212  13.842   8.174
    6   2HG2  ILE   1          2HG2      ILE   1   2.728  12.393   7.311
    7   3HG2  ILE   1          3HG2      ILE   1   3.453  12.799   8.866
    8   1HD1  ILE   1          1HD1      ILE   1   0.249   9.813  10.272
    9   2HD1  ILE   1          2HD1      ILE   1   1.130   8.576   9.376
   10   3HD1  ILE   1          3HD1      ILE   1   0.052   9.682   8.525
   11    H    ASP   2           H        ASP   2  -1.103  13.169   9.378
   12    HA   ASP   2           HA       ASP   2  -2.687  12.149  11.573
   13   1HB   ASP   2          1HB       ASP   2  -3.564  13.285   8.908
   14   2HB   ASP   2          2HB       ASP   2  -4.607  12.971  10.292
   15    H    GLN   3           H        GLN   3  -3.604  10.207  11.702
   16    HA   GLN   3           HA       GLN   3  -3.103   8.257   9.648
   17   1HB   GLN   3          1HB       GLN   3  -4.649   8.031  12.237
   18   2HB   GLN   3          2HB       GLN   3  -4.223   6.683  11.193
   19   1HG   GLN   3          1HG       GLN   3  -2.655   6.664  12.932
   20   2HG   GLN   3          2HG       GLN   3  -1.812   7.337  11.538
   21   1HE2  GLN   3          1HE2      GLN   3  -0.294   8.382  12.800
   22   2HE2  GLN   3          2HE2      GLN   3  -0.672   9.780  13.744
   23    H    ASP   4           H        ASP   4  -5.603  10.434  10.384
   24    HA   ASP   4           HA       ASP   4  -7.795   8.942   9.328
   25   1HB   ASP   4          1HB       ASP   4  -7.512  11.933   9.693
   26   2HB   ASP   4          2HB       ASP   4  -9.016  11.067   9.402
   27    H    THR   5           H        THR   5  -5.302  10.916   7.964
   28    HA   THR   5           HA       THR   5  -6.659  11.356   5.441
   29    HB   THR   5           HB       THR   5  -4.583  12.390   4.706
   30    HG1  THR   5           1HG      THR   5  -2.954  11.237   5.588
   31   1HG2  THR   5          1HG2      THR   5  -5.247  13.188   7.543
   32   2HG2  THR   5          2HG2      THR   5  -6.091  13.736   6.095
   33   3HG2  THR   5          3HG2      THR   5  -4.406  14.185   6.357
   34    H    VAL   6           H        VAL   6  -4.702   9.002   6.931
   35    HA   VAL   6           HA       VAL   6  -3.687   7.841   4.499
   36    HB   VAL   6           HB       VAL   6  -3.665   6.824   7.344
   37   1HG1  VAL   6          1HG1      VAL   6  -2.134   5.847   4.943
   38   2HG1  VAL   6          2HG1      VAL   6  -3.476   5.010   5.721
   39   3HG1  VAL   6          3HG1      VAL   6  -1.967   5.256   6.596
   40   1HG2  VAL   6          1HG2      VAL   6  -1.355   7.561   7.389
   41   2HG2  VAL   6          2HG2      VAL   6  -2.418   8.916   7.005
   42   3HG2  VAL   6          3HG2      VAL   6  -1.485   8.137   5.726
   43    H    VAL   7           H        VAL   7  -5.746   6.536   7.102
   44    HA   VAL   7           HA       VAL   7  -6.606   4.302   5.620
   45    HB   VAL   7           HB       VAL   7  -8.008   5.548   7.981
   46   1HG1  VAL   7          1HG1      VAL   7  -7.992   2.732   6.899
   47   2HG1  VAL   7          2HG1      VAL   7  -9.340   3.867   6.853
   48   3HG1  VAL   7          3HG1      VAL   7  -8.768   3.243   8.399
   49   1HG2  VAL   7          1HG2      VAL   7  -5.728   3.574   7.902
   50   2HG2  VAL   7          2HG2      VAL   7  -6.661   3.980   9.343
   51   3HG2  VAL   7          3HG2      VAL   7  -5.687   5.215   8.548
   52    H    ALA   8           H        ALA   8  -8.372   7.313   6.433
   53    HA   ALA   8           HA       ALA   8 -10.745   6.595   5.116
   54   1HB   ALA   8          1HB       ALA   8  -9.733   9.394   5.578
   55   2HB   ALA   8          2HB       ALA   8 -10.538   8.402   6.795
   56   3HB   ALA   8          3HB       ALA   8 -11.405   8.887   5.339
   57    H    LYS   9           H        LYS   9  -7.770   7.933   3.819
   58    HA   LYS   9           HA       LYS   9  -9.096   8.660   1.332
   59   1HB   LYS   9          1HB       LYS   9  -6.224   8.856   2.225
   60   2HB   LYS   9          2HB       LYS   9  -6.756   9.279   0.605
   61   1HG   LYS   9          1HG       LYS   9  -7.757  10.558   3.142
   62   2HG   LYS   9          2HG       LYS   9  -6.526  11.234   2.075
   63   1HD   LYS   9          1HD       LYS   9  -9.356  10.591   1.247
   64   2HD   LYS   9          2HD       LYS   9  -8.785  12.195   1.712
   65   1HE   LYS   9          1HE       LYS   9  -7.169  12.145  -0.130
   66   2HE   LYS   9          2HE       LYS   9  -7.753  10.548  -0.596
   67   1HZ   LYS   9          1HZ       LYS   9  -8.745  12.265  -1.959
   68   2HZ   LYS   9          2HZ       LYS   9  -9.356  13.049  -0.591
   69   3HZ   LYS   9          3HZ       LYS   9  -9.934  11.517  -1.017
   70    H    TYR  10           H        TYR  10  -6.419   6.465   2.238
   71    HA   TYR  10           HA       TYR  10  -6.115   5.235  -0.229
   72   1HB   TYR  10          1HB       TYR  10  -5.653   4.236   2.572
   73   2HB   TYR  10          2HB       TYR  10  -5.336   3.216   1.174
   74    HD1  TYR  10           1HD      TYR  10  -4.151   5.066  -0.738
   75    HD2  TYR  10           2HD      TYR  10  -3.582   4.797   3.470
   76    HE1  TYR  10           1HE      TYR  10  -1.931   6.093  -0.979
   77    HE2  TYR  10           2HE      TYR  10  -1.357   5.820   3.239
   78    HH   TYR  10           HH       TYR  10  -0.322   7.341   0.384
   79    H    MET  11           H        MET  11  -8.636   4.877   2.098
   80    HA   MET  11           HA       MET  11  -9.594   2.355   1.097
   81   1HB   MET  11          1HB       MET  11 -10.568   4.363   3.091
   82   2HB   MET  11          2HB       MET  11 -11.671   3.129   2.505
   83   1HG   MET  11          1HG       MET  11  -9.811   1.473   3.169
   84   2HG   MET  11          2HG       MET  11  -9.172   2.816   4.115
   85   1HE   MET  11          1HE       MET  11 -12.166   4.183   4.796
   86   2HE   MET  11          2HE       MET  11 -10.748   4.183   5.844
   87   3HE   MET  11          3HE       MET  11 -12.291   3.577   6.447
   88    H    GLU  12           H        GLU  12 -11.037   5.611   1.148
   89    HA   GLU  12           HA       GLU  12 -13.081   5.023  -0.692
   90   1HB   GLU  12          1HB       GLU  12 -13.201   6.899   0.865
   91   2HB   GLU  12          2HB       GLU  12 -11.855   7.683   0.050
   92   1HG   GLU  12          1HG       GLU  12 -13.162   8.009  -1.927
   93   2HG   GLU  12          2HG       GLU  12 -14.484   7.045  -1.270
   94    H    TYR  13           H        TYR  13  -9.760   5.828  -1.160
   95    HA   TYR  13           HA       TYR  13  -9.812   7.031  -3.671
   96   1HB   TYR  13          1HB       TYR  13  -7.826   6.626  -2.062
   97   2HB   TYR  13          2HB       TYR  13  -7.661   5.080  -2.887
   98    HD1  TYR  13           1HD      TYR  13  -6.740   8.496  -2.910
   99    HD2  TYR  13           2HD      TYR  13  -7.475   5.196  -5.497
  100    HE1  TYR  13           1HE      TYR  13  -5.430   9.595  -4.675
  101    HE2  TYR  13           2HE      TYR  13  -6.171   6.291  -7.269
  102    HH   TYR  13           HH       TYR  13  -5.466   8.568  -7.900
  103    H    LEU  14           H        LEU  14 -10.023   3.620  -2.789
  104    HA   LEU  14           HA       LEU  14 -10.957   3.017  -5.474
  105   1HB   LEU  14          1HB       LEU  14  -8.433   1.891  -4.308
  106   2HB   LEU  14          2HB       LEU  14  -9.360   0.988  -5.488
  107    HG   LEU  14           HG       LEU  14  -8.216   3.741  -5.958
  108   1HD1  LEU  14          1HD1      LEU  14  -7.219   1.011  -6.733
  109   2HD1  LEU  14          2HD1      LEU  14  -6.393   2.226  -5.757
  110   3HD1  LEU  14          3HD1      LEU  14  -6.659   2.507  -7.478
  111   1HD2  LEU  14          1HD2      LEU  14 -10.222   3.247  -7.276
  112   2HD2  LEU  14          2HD2      LEU  14  -9.465   1.765  -7.860
  113   3HD2  LEU  14          3HD2      LEU  14  -8.779   3.332  -8.287
  114    H    MET  15           H        MET  15 -12.059   2.971  -2.716
  115    HA   MET  15           HA       MET  15 -12.262   0.502  -1.564
  116   1HB   MET  15          1HB       MET  15 -13.345   2.692  -0.833
  117   2HB   MET  15          2HB       MET  15 -14.667   2.276  -1.911
  118   1HG   MET  15          1HG       MET  15 -15.123   0.273  -0.668
  119   2HG   MET  15          2HG       MET  15 -13.711   0.548   0.351
  120   1HE   MET  15          1HE       MET  15 -17.443   3.268   0.374
  121   2HE   MET  15          2HE       MET  15 -17.285   1.840  -0.650
  122   3HE   MET  15          3HE       MET  15 -16.267   3.250  -0.940
  123    HA   PRO  16           HA       PRO  16 -15.870  -0.726  -4.592
  124   1HB   PRO  16          1HB       PRO  16 -15.330   0.933  -6.964
  125   2HB   PRO  16          2HB       PRO  16 -16.862   0.598  -6.154
  126   1HG   PRO  16          1HG       PRO  16 -15.689   3.005  -6.006
  127   2HG   PRO  16          2HG       PRO  16 -16.591   2.318  -4.641
  128   1HD   PRO  16          1HD       PRO  16 -13.631   2.461  -5.078
  129   2HD   PRO  16          2HD       PRO  16 -14.566   2.729  -3.593
  130    H    ASP  17           H        ASP  17 -12.746   0.299  -5.849
  131    HA   ASP  17           HA       ASP  17 -12.612  -1.839  -7.777
  132   1HB   ASP  17          1HB       ASP  17 -10.556   0.168  -6.852
  133   2HB   ASP  17          2HB       ASP  17 -10.272  -1.017  -8.122
  134    H    ILE  18           H        ILE  18 -12.174  -1.676  -4.468
  135    HA   ILE  18           HA       ILE  18  -9.997  -3.583  -4.314
  136    HB   ILE  18           HB       ILE  18 -11.787  -2.378  -2.201
  137   1HG1  ILE  18          1HG1      ILE  18  -8.812  -2.082  -2.650
  138   2HG1  ILE  18          2HG1      ILE  18 -10.008  -0.962  -3.288
  139   1HG2  ILE  18          1HG2      ILE  18 -10.307  -3.443  -0.540
  140   2HG2  ILE  18          2HG2      ILE  18  -9.524  -4.338  -1.843
  141   3HG2  ILE  18          3HG2      ILE  18 -11.227  -4.616  -1.480
  142   1HD1  ILE  18          1HD1      ILE  18 -10.724  -0.445  -1.005
  143   2HD1  ILE  18          2HD1      ILE  18  -9.015  -0.096  -1.262
  144   3HD1  ILE  18          3HD1      ILE  18  -9.497  -1.547  -0.382
  145    H    MET  19           H        MET  19 -13.459  -3.616  -4.403
  146    HA   MET  19           HA       MET  19 -14.146  -5.955  -3.146
  147   1HB   MET  19          1HB       MET  19 -15.260  -4.863  -5.732
  148   2HB   MET  19          2HB       MET  19 -16.026  -6.111  -4.760
  149   1HG   MET  19          1HG       MET  19 -15.419  -3.332  -3.780
  150   2HG   MET  19          2HG       MET  19 -16.968  -3.834  -4.453
  151   1HE   MET  19          1HE       MET  19 -15.359  -4.598  -0.261
  152   2HE   MET  19          2HE       MET  19 -14.970  -3.282  -1.370
  153   3HE   MET  19          3HE       MET  19 -14.318  -4.896  -1.654
  154    HA   PRO  20           HA       PRO  20 -13.257  -8.251  -7.551
  155   1HB   PRO  20          1HB       PRO  20 -10.657  -6.780  -7.770
  156   2HB   PRO  20          2HB       PRO  20 -11.656  -7.488  -9.045
  157   1HG   PRO  20          1HG       PRO  20 -11.696  -4.864  -8.570
  158   2HG   PRO  20          2HG       PRO  20 -13.172  -5.741  -9.011
  159   1HD   PRO  20          1HD       PRO  20 -12.357  -4.612  -6.399
  160   2HD   PRO  20          2HD       PRO  20 -13.981  -4.922  -7.039
  161    H    CYS  21           H        CYS  21 -10.441  -7.139  -5.649
  162    HA   CYS  21           HA       CYS  21  -9.438  -9.842  -5.405
  163   1HB   CYS  21          1HB       CYS  21  -8.472  -7.199  -4.308
  164   2HB   CYS  21          2HB       CYS  21  -7.645  -8.731  -4.049
  165    H    ALA  22           H        ALA  22 -11.433  -7.716  -3.619
  166    HA   ALA  22           HA       ALA  22 -11.009  -8.872  -1.040
  167   1HB   ALA  22          1HB       ALA  22 -11.829  -6.581  -1.313
  168   2HB   ALA  22          2HB       ALA  22 -12.934  -7.557  -0.347
  169   3HB   ALA  22          3HB       ALA  22 -13.314  -7.201  -2.032
  170    H    ASP  23           H        ASP  23 -12.384 -10.121  -3.760
  171    HA   ASP  23           HA       ASP  23 -14.619 -11.468  -2.510
  172   1HB   ASP  23          1HB       ASP  23 -13.384 -11.799  -5.254
  173   2HB   ASP  23          2HB       ASP  23 -14.858 -12.593  -4.710
  174    H    GLU  24           H        GLU  24 -11.600 -12.550  -4.079
  175    HA   GLU  24           HA       GLU  24 -11.814 -15.163  -2.895
  176   1HB   GLU  24          1HB       GLU  24  -9.906 -13.795  -4.763
  177   2HB   GLU  24          2HB       GLU  24  -9.507 -15.344  -4.052
  178   1HG   GLU  24          1HG       GLU  24 -11.485 -16.343  -5.041
  179   2HG   GLU  24          2HG       GLU  24 -11.951 -14.779  -5.708
  180    H    LEU  25           H        LEU  25  -9.616 -12.394  -2.687
  181    HA   LEU  25           HA       LEU  25  -8.213 -13.557  -0.415
  182   1HB   LEU  25          1HB       LEU  25  -7.835 -10.890  -1.738
  183   2HB   LEU  25          2HB       LEU  25  -6.723 -11.666  -0.629
  184    HG   LEU  25           HG       LEU  25  -7.419 -12.705  -3.379
  185   1HD1  LEU  25          1HD1      LEU  25  -4.973 -11.243  -2.397
  186   2HD1  LEU  25          2HD1      LEU  25  -6.168 -10.641  -3.546
  187   3HD1  LEU  25          3HD1      LEU  25  -5.140 -12.007  -3.978
  188   1HD2  LEU  25          1HD2      LEU  25  -5.556 -14.236  -3.028
  189   2HD2  LEU  25          2HD2      LEU  25  -6.796 -14.462  -1.794
  190   3HD2  LEU  25          3HD2      LEU  25  -5.314 -13.585  -1.406
  191    H    HIS  26           H        HIS  26 -10.905 -12.970   0.005
  192    HA   HIS  26           HA       HIS  26 -11.431 -10.497   1.216
  193   1HB   HIS  26          1HB       HIS  26 -13.360 -11.711   2.286
  194   2HB   HIS  26          2HB       HIS  26 -13.271 -11.849   0.535
  195    HD1  HIS  26           1HD      HIS  26 -12.068 -14.183  -0.298
  196    HD2  HIS  26           2HD      HIS  26 -13.644 -14.093   3.544
  197    HE1  HIS  26           1HE      HIS  26 -12.337 -16.591   0.375
  198    HE2  HIS  26           2HE      HIS  26 -13.352 -16.514   2.679
  199    H    ILE  27           H        ILE  27  -9.257 -10.488   2.392
  200    HA   ILE  27           HA       ILE  27  -9.780 -10.936   5.193
  201    HB   ILE  27           HB       ILE  27  -7.313 -11.950   5.261
  202   1HG1  ILE  27          1HG1      ILE  27  -7.184 -13.682   3.423
  203   2HG1  ILE  27          2HG1      ILE  27  -8.461 -12.806   2.606
  204   1HG2  ILE  27          1HG2      ILE  27  -9.311 -12.919   6.289
  205   2HG2  ILE  27          2HG2      ILE  27  -8.314 -14.154   5.520
  206   3HG2  ILE  27          3HG2      ILE  27  -9.787 -13.590   4.730
  207   1HD1  ILE  27          1HD1      ILE  27  -6.250 -12.257   1.732
  208   2HD1  ILE  27          2HD1      ILE  27  -5.771 -11.681   3.328
  209   3HD1  ILE  27          3HD1      ILE  27  -7.048 -10.852   2.439
  210    H    SER  28           H        SER  28  -9.702  -8.525   4.199
  211    HA   SER  28           HA       SER  28  -7.340  -7.212   3.673
  212   1HB   SER  28          1HB       SER  28  -9.622  -6.119   5.327
  213   2HB   SER  28          2HB       SER  28  -8.427  -5.180   4.434
  214    HG   SER  28           HG       SER  28  -9.778  -7.054   2.935
  215    H    GLU  29           H        GLU  29  -6.035  -5.789   5.037
  216    HA   GLU  29           HA       GLU  29  -4.631  -6.999   7.002
  217   1HB   GLU  29          1HB       GLU  29  -5.001  -4.216   7.742
  218   2HB   GLU  29          2HB       GLU  29  -3.553  -5.045   7.208
  219   1HG   GLU  29          1HG       GLU  29  -3.992  -3.256   5.722
  220   2HG   GLU  29          2HG       GLU  29  -4.324  -4.761   4.865
  221    H    ASP  30           H        ASP  30  -7.724  -5.441   7.343
  222    HA   ASP  30           HA       ASP  30  -7.777  -5.156  10.129
  223   1HB   ASP  30          1HB       ASP  30  -9.400  -4.062   8.664
  224   2HB   ASP  30          2HB       ASP  30 -10.074  -5.626   8.216
  225    H    ILE  31           H        ILE  31  -9.017  -7.793   8.085
  226    HA   ILE  31           HA       ILE  31  -9.495  -9.430  10.455
  227    HB   ILE  31           HB       ILE  31 -10.088 -10.062   7.560
  228   1HG1  ILE  31          1HG1      ILE  31 -11.959  -9.008   9.693
  229   2HG1  ILE  31          2HG1      ILE  31 -11.262  -8.029   8.406
  230   1HG2  ILE  31          1HG2      ILE  31  -9.981 -12.057   8.911
  231   2HG2  ILE  31          2HG2      ILE  31 -11.667 -11.706   8.532
  232   3HG2  ILE  31          3HG2      ILE  31 -11.028 -11.331  10.131
  233   1HD1  ILE  31          1HD1      ILE  31 -12.412  -9.386   6.744
  234   2HD1  ILE  31          2HD1      ILE  31 -13.546  -8.683   7.898
  235   3HD1  ILE  31          3HD1      ILE  31 -13.096 -10.384   8.027
  236    H    ALA  32           H        ALA  32  -7.008  -8.864   8.297
  237    HA   ALA  32           HA       ALA  32  -6.012 -11.542   8.013
  238   1HB   ALA  32          1HB       ALA  32  -5.513  -9.831   6.347
  239   2HB   ALA  32          2HB       ALA  32  -4.034 -10.481   7.050
  240   3HB   ALA  32          3HB       ALA  32  -4.630  -8.900   7.553
  241    H    THR  33           H        THR  33  -6.220  -9.578  10.634
  242    HA   THR  33           HA       THR  33  -3.640  -9.757  11.786
  243    HB   THR  33           HB       THR  33  -4.737  -9.156  13.906
  244    HG1  THR  33           1HG      THR  33  -6.925 -10.135  12.590
  245   1HG2  THR  33          1HG2      THR  33  -4.202  -7.393  12.294
  246   2HG2  THR  33          2HG2      THR  33  -5.674  -7.008  13.186
  247   3HG2  THR  33          3HG2      THR  33  -5.777  -7.606  11.530
  248    H    ASN  34           H        ASN  34  -5.517 -12.259  10.982
  249    HA   ASN  34           HA       ASN  34  -5.685 -13.861  13.269
  250   1HB   ASN  34          1HB       ASN  34  -6.834 -14.418  11.177
  251   2HB   ASN  34          2HB       ASN  34  -5.286 -14.699  10.387
  252   1HD2  ASN  34          1HD2      ASN  34  -5.785 -16.815   9.888
  253   2HD2  ASN  34          2HD2      ASN  34  -5.845 -18.062  11.082
  254    H    ILE  35           H        ILE  35  -4.298 -15.206  14.294
  255    HA   ILE  35           HA       ILE  35  -1.587 -14.714  14.338
  256    HB   ILE  35           HB       ILE  35  -1.403 -17.039  15.398
  257   1HG1  ILE  35          1HG1      ILE  35  -4.420 -16.873  15.323
  258   2HG1  ILE  35          2HG1      ILE  35  -3.484 -17.879  14.221
  259   1HG2  ILE  35          1HG2      ILE  35  -1.561 -15.007  16.702
  260   2HG2  ILE  35          2HG2      ILE  35  -2.529 -16.276  17.450
  261   3HG2  ILE  35          3HG2      ILE  35  -3.315 -14.999  16.523
  262   1HD1  ILE  35          1HD1      ILE  35  -2.623 -19.160  16.083
  263   2HD1  ILE  35          2HD1      ILE  35  -4.386 -19.141  16.115
  264   3HD1  ILE  35          3HD1      ILE  35  -3.473 -18.116  17.221
  265    H    GLN  36           H        GLN  36  -0.811 -14.642  12.201
  266    HA   GLN  36           HA       GLN  36  -0.359 -17.295  11.005
  267   1HB   GLN  36          1HB       GLN  36  -0.858 -14.657   9.628
  268   2HB   GLN  36          2HB       GLN  36  -0.274 -16.094   8.796
  269   1HG   GLN  36          1HG       GLN  36  -2.301 -17.288   9.400
  270   2HG   GLN  36          2HG       GLN  36  -2.878 -15.881  10.292
  271   1HE2  GLN  36          1HE2      GLN  36  -2.242 -17.220   7.143
  272   2HE2  GLN  36          2HE2      GLN  36  -3.158 -16.063   6.245
  273    H    ALA  37           H        ALA  37   1.040 -14.438   9.618
  274    HA   ALA  37           HA       ALA  37   3.688 -15.484  10.154
  275   1HB   ALA  37          1HB       ALA  37   3.050 -14.638   7.915
  276   2HB   ALA  37          2HB       ALA  37   4.483 -13.857   8.583
  277   3HB   ALA  37          3HB       ALA  37   2.934 -13.019   8.603
  278    H    ALA  38           H        ALA  38   1.684 -12.799  11.154
  279    HA   ALA  38           HA       ALA  38   1.892 -11.270  12.831
  280   1HB   ALA  38          1HB       ALA  38   3.320 -11.785  14.703
  281   2HB   ALA  38          2HB       ALA  38   4.191 -12.974  13.738
  282   3HB   ALA  38          3HB       ALA  38   2.500 -13.247  14.156
  283    H    LYS  39           H        LYS  39   3.473 -11.073  10.315
  284    HA   LYS  39           HA       LYS  39   5.994 -10.055  10.521
  285   1HB   LYS  39          1HB       LYS  39   4.505 -10.278   8.444
  286   2HB   LYS  39          2HB       LYS  39   3.922  -8.665   8.840
  287   1HG   LYS  39          1HG       LYS  39   5.665  -8.502   7.197
  288   2HG   LYS  39          2HG       LYS  39   6.246  -7.834   8.723
  289   1HD   LYS  39          1HD       LYS  39   7.462  -9.883   9.184
  290   2HD   LYS  39          2HD       LYS  39   6.822 -10.618   7.712
  291   1HE   LYS  39          1HE       LYS  39   7.963  -8.923   6.370
  292   2HE   LYS  39          2HE       LYS  39   8.597  -8.183   7.840
  293   1HZ   LYS  39          1HZ       LYS  39   9.808 -10.214   8.306
  294   2HZ   LYS  39          2HZ       LYS  39  10.228  -9.620   6.779
  295   3HZ   LYS  39          3HZ       LYS  39   9.183 -10.943   6.913
  296    H    ASN  40           H        ASN  40   3.061  -8.036  10.639
  297    HA   ASN  40           HA       ASN  40   4.468  -6.203  12.471
  298   1HB   ASN  40          1HB       ASN  40   2.595  -5.505  10.194
  299   2HB   ASN  40          2HB       ASN  40   3.100  -4.356  11.430
  300   1HD2  ASN  40          1HD2      ASN  40   4.105  -6.256   8.697
  301   2HD2  ASN  40          2HD2      ASN  40   5.592  -5.424   8.412
  302    H    GLY  41           H        GLY  41   2.654  -8.511  12.821
  303   1HA   GLY  41          1HA       GLY  41   1.216  -8.886  14.661
  304   2HA   GLY  41          2HA       GLY  41   0.705  -7.204  14.573
  305    H    ALA  42           H        ALA  42   0.557  -7.650  11.547
  306    HA   ALA  42           HA       ALA  42  -2.211  -8.530  11.526
  307   1HB   ALA  42          1HB       ALA  42  -0.469  -7.291   9.400
  308   2HB   ALA  42          2HB       ALA  42  -1.757  -6.514  10.321
  309   3HB   ALA  42          3HB       ALA  42  -2.146  -7.771   9.146
  310    H    ASP  43           H        ASP  43   0.203  -9.061   9.015
  311    HA   ASP  43           HA       ASP  43   0.583 -11.812   9.329
  312   1HB   ASP  43          1HB       ASP  43  -1.731 -12.157   8.827
  313   2HB   ASP  43          2HB       ASP  43  -1.673 -11.032   7.475
  314    H    MET  44           H        MET  44   0.074  -9.285   6.916
  315    HA   MET  44           HA       MET  44   1.400  -8.415   5.297
  316   1HB   MET  44          1HB       MET  44   3.191  -8.907   7.118
  317   2HB   MET  44          2HB       MET  44   3.678 -10.199   6.029
  318   1HG   MET  44          1HG       MET  44   4.959  -8.672   5.050
  319   2HG   MET  44          2HG       MET  44   3.467  -8.047   4.348
  320   1HE   MET  44          1HE       MET  44   2.103  -7.067   7.104
  321   2HE   MET  44          2HE       MET  44   1.996  -6.045   5.670
  322   3HE   MET  44          3HE       MET  44   2.563  -5.369   7.195
  323    H    SER  45           H        SER  45   1.438 -11.913   5.653
  324    HA   SER  45           HA       SER  45   2.431 -12.685   3.198
  325   1HB   SER  45          1HB       SER  45   0.196 -13.965   4.787
  326   2HB   SER  45          2HB       SER  45   1.074 -14.742   3.471
  327    HG   SER  45           HG       SER  45   1.779 -14.438   6.068
  328    H    GLN  46           H        GLN  46  -0.966 -11.997   4.030
  329    HA   GLN  46           HA       GLN  46  -1.700 -12.149   1.232
  330   1HB   GLN  46          1HB       GLN  46  -3.254 -11.806   3.770
  331   2HB   GLN  46          2HB       GLN  46  -4.002 -11.552   2.196
  332   1HG   GLN  46          1HG       GLN  46  -2.750 -14.078   3.240
  333   2HG   GLN  46          2HG       GLN  46  -4.447 -13.785   2.873
  334   1HE2  GLN  46          1HE2      GLN  46  -1.274 -14.307   1.521
  335   2HE2  GLN  46          2HE2      GLN  46  -1.799 -14.702  -0.078
  336    H    LEU  47           H        LEU  47  -1.075  -9.698   3.638
  337    HA   LEU  47           HA       LEU  47  -2.336  -7.536   2.328
  338   1HB   LEU  47          1HB       LEU  47   0.048  -7.599   4.175
  339   2HB   LEU  47          2HB       LEU  47  -0.684  -6.119   3.601
  340    HG   LEU  47           HG       LEU  47  -2.855  -7.009   4.677
  341   1HD1  LEU  47          1HD1      LEU  47  -2.231  -8.407   6.742
  342   2HD1  LEU  47          2HD1      LEU  47  -0.792  -8.852   5.823
  343   3HD1  LEU  47          3HD1      LEU  47  -2.395  -9.232   5.192
  344   1HD2  LEU  47          1HD2      LEU  47  -2.163  -6.114   6.873
  345   2HD2  LEU  47          2HD2      LEU  47  -1.658  -5.095   5.525
  346   3HD2  LEU  47          3HD2      LEU  47  -0.486  -6.142   6.328
  347    H    GLY  48           H        GLY  48   0.513  -9.327   1.713
  348   1HA   GLY  48          1HA       GLY  48   1.948  -7.368   0.231
  349   2HA   GLY  48          2HA       GLY  48   2.217  -9.104   0.194
  350    H    CYS  49           H        CYS  49  -0.917  -8.988  -0.461
  351    HA   CYS  49           HA       CYS  49  -0.619  -8.347  -3.302
  352   1HB   CYS  49          1HB       CYS  49  -2.187 -10.504  -3.507
  353   2HB   CYS  49          2HB       CYS  49  -0.439 -10.549  -3.689
  354    H    LEU  50           H        LEU  50  -3.123  -9.672  -1.095
  355    HA   LEU  50           HA       LEU  50  -5.341  -8.649  -2.368
  356   1HB   LEU  50          1HB       LEU  50  -5.556 -10.154  -0.491
  357   2HB   LEU  50          2HB       LEU  50  -4.839  -8.982   0.597
  358    HG   LEU  50           HG       LEU  50  -7.386  -9.361   0.665
  359   1HD1  LEU  50          1HD1      LEU  50  -6.182  -7.566   1.843
  360   2HD1  LEU  50          2HD1      LEU  50  -7.797  -7.092   1.320
  361   3HD1  LEU  50          3HD1      LEU  50  -6.383  -6.537   0.427
  362   1HD2  LEU  50          1HD2      LEU  50  -7.320  -7.434  -1.645
  363   2HD2  LEU  50          2HD2      LEU  50  -8.737  -8.132  -0.863
  364   3HD2  LEU  50          3HD2      LEU  50  -7.659  -9.154  -1.813
  365    H    LYS  51           H        LYS  51  -3.198  -7.056  -0.052
  366    HA   LYS  51           HA       LYS  51  -4.646  -4.567  -0.243
  367   1HB   LYS  51          1HB       LYS  51  -3.394  -5.354   1.826
  368   2HB   LYS  51          2HB       LYS  51  -1.909  -4.988   0.960
  369   1HG   LYS  51          1HG       LYS  51  -2.564  -2.657   0.770
  370   2HG   LYS  51          2HG       LYS  51  -4.088  -3.008   1.586
  371   1HD   LYS  51          1HD       LYS  51  -2.608  -2.071   3.205
  372   2HD   LYS  51          2HD       LYS  51  -2.749  -3.794   3.555
  373   1HE   LYS  51          1HE       LYS  51  -0.439  -3.105   3.744
  374   2HE   LYS  51          2HE       LYS  51  -0.631  -4.185   2.364
  375   1HZ   LYS  51          1HZ       LYS  51  -0.655  -2.257   0.906
  376   2HZ   LYS  51          2HZ       LYS  51   0.767  -2.295   1.820
  377   3HZ   LYS  51          3HZ       LYS  51  -0.473  -1.222   2.232
  378    H    ALA  52           H        ALA  52  -2.032  -6.180  -1.851
  379    HA   ALA  52           HA       ALA  52  -0.910  -3.772  -3.004
  380   1HB   ALA  52          1HB       ALA  52   0.611  -5.177  -4.126
  381   2HB   ALA  52          2HB       ALA  52  -0.451  -6.576  -3.984
  382   3HB   ALA  52          3HB       ALA  52   0.359  -5.936  -2.553
  383    H    CYS  53           H        CYS  53  -3.665  -5.525  -3.465
  384    HA   CYS  53           HA       CYS  53  -3.928  -5.602  -6.269
  385   1HB   CYS  53          1HB       CYS  53  -5.361  -6.882  -4.717
  386   2HB   CYS  53          2HB       CYS  53  -6.079  -5.381  -4.146
  387    H    VAL  54           H        VAL  54  -4.316  -3.122  -3.885
  388    HA   VAL  54           HA       VAL  54  -5.795  -1.276  -5.467
  389    HB   VAL  54           HB       VAL  54  -3.951  -0.726  -3.132
  390   1HG1  VAL  54          1HG1      VAL  54  -5.236   1.340  -2.870
  391   2HG1  VAL  54          2HG1      VAL  54  -6.156   0.951  -4.322
  392   3HG1  VAL  54          3HG1      VAL  54  -4.427   1.278  -4.435
  393   1HG2  VAL  54          1HG2      VAL  54  -5.976  -0.753  -1.763
  394   2HG2  VAL  54          2HG2      VAL  54  -5.715  -2.310  -2.549
  395   3HG2  VAL  54          3HG2      VAL  54  -6.930  -1.198  -3.178
  396    H    MET  55           H        MET  55  -2.460  -2.161  -5.204
  397    HA   MET  55           HA       MET  55  -1.313   0.157  -6.379
  398   1HB   MET  55          1HB       MET  55  -0.244  -2.672  -6.329
  399   2HB   MET  55          2HB       MET  55   0.687  -1.220  -6.657
  400   1HG   MET  55          1HG       MET  55   0.251  -0.428  -4.388
  401   2HG   MET  55          2HG       MET  55  -0.674  -1.893  -4.060
  402   1HE   MET  55          1HE       MET  55   0.829  -2.403  -1.914
  403   2HE   MET  55          2HE       MET  55   1.724  -0.916  -2.225
  404   3HE   MET  55          3HE       MET  55   2.593  -2.426  -1.951
  405    H    LYS  56           H        LYS  56  -1.926  -3.095  -7.710
  406    HA   LYS  56           HA       LYS  56  -1.216  -2.581 -10.342
  407   1HB   LYS  56          1HB       LYS  56  -3.434  -4.433  -9.464
  408   2HB   LYS  56          2HB       LYS  56  -2.483  -4.546 -10.938
  409   1HG   LYS  56          1HG       LYS  56  -0.478  -4.993  -9.590
  410   2HG   LYS  56          2HG       LYS  56  -1.467  -4.934  -8.130
  411   1HD   LYS  56          1HD       LYS  56  -1.911  -6.850 -10.418
  412   2HD   LYS  56          2HD       LYS  56  -1.016  -7.241  -8.949
  413   1HE   LYS  56          1HE       LYS  56  -2.999  -6.833  -7.604
  414   2HE   LYS  56          2HE       LYS  56  -3.900  -6.358  -9.043
  415   1HZ   LYS  56          1HZ       LYS  56  -2.739  -9.049  -8.560
  416   2HZ   LYS  56          2HZ       LYS  56  -3.650  -8.589  -9.909
  417   3HZ   LYS  56          3HZ       LYS  56  -4.372  -8.643  -8.381
  418    H    ARG  57           H        ARG  57  -4.080  -1.689  -8.604
  419    HA   ARG  57           HA       ARG  57  -5.733  -1.200 -10.875
  420   1HB   ARG  57          1HB       ARG  57  -6.223  -1.424  -8.231
  421   2HB   ARG  57          2HB       ARG  57  -6.229   0.326  -8.386
  422   1HG   ARG  57          1HG       ARG  57  -8.445  -0.200  -8.708
  423   2HG   ARG  57          2HG       ARG  57  -7.847  -0.106 -10.366
  424   1HD   ARG  57          1HD       ARG  57  -8.165  -2.639  -8.754
  425   2HD   ARG  57          2HD       ARG  57  -9.281  -2.071  -9.996
  426    HE   ARG  57           HE       ARG  57  -6.979  -2.191 -11.352
  427   1HH1  ARG  57          1HH1      ARG  57  -8.518  -4.473  -9.214
  428   2HH1  ARG  57          2HH1      ARG  57  -7.855  -5.860 -10.010
  429   1HH2  ARG  57          1HH2      ARG  57  -6.104  -4.011 -12.406
  430   2HH2  ARG  57          2HH2      ARG  57  -6.480  -5.598 -11.822
  431    H    ILE  58           H        ILE  58  -3.441   0.715  -9.035
  432    HA   ILE  58           HA       ILE  58  -4.099   3.091 -10.624
  433    HB   ILE  58           HB       ILE  58  -2.608   4.309  -9.060
  434   1HG1  ILE  58          1HG1      ILE  58  -2.546   1.707  -7.518
  435   2HG1  ILE  58          2HG1      ILE  58  -1.201   2.326  -8.471
  436   1HG2  ILE  58          1HG2      ILE  58  -4.803   2.717  -7.743
  437   2HG2  ILE  58          2HG2      ILE  58  -5.012   4.204  -8.667
  438   3HG2  ILE  58          3HG2      ILE  58  -4.123   4.230  -7.145
  439   1HD1  ILE  58          1HD1      ILE  58  -1.085   4.289  -7.028
  440   2HD1  ILE  58          2HD1      ILE  58  -0.899   2.793  -6.112
  441   3HD1  ILE  58          3HD1      ILE  58  -2.432   3.666  -6.075
  442    H    GLU  59           H        GLU  59  -2.565   0.670 -11.561
  443    HA   GLU  59           HA       GLU  59  -0.778   0.193 -12.884
  444   1HB   GLU  59          1HB       GLU  59  -0.770   3.199 -13.175
  445   2HB   GLU  59          2HB       GLU  59   0.219   2.115 -14.144
  446   1HG   GLU  59          1HG       GLU  59  -2.790   2.121 -14.038
  447   2HG   GLU  59          2HG       GLU  59  -1.801   2.818 -15.321
  448    H    MET  60           H        MET  60  -0.361   0.632 -10.016
  449    HA   MET  60           HA       MET  60   2.372   1.672  -9.927
  450   1HB   MET  60          1HB       MET  60   0.736   2.438  -8.224
  451   2HB   MET  60          2HB       MET  60   0.580   0.780  -7.659
  452   1HG   MET  60          1HG       MET  60   2.935   0.763  -7.033
  453   2HG   MET  60          2HG       MET  60   3.104   2.419  -7.611
  454   1HE   MET  60          1HE       MET  60   3.909   1.341  -4.687
  455   2HE   MET  60          2HE       MET  60   3.339   2.667  -3.674
  456   3HE   MET  60          3HE       MET  60   4.167   3.012  -5.193
  457    H    LEU  61           H        LEU  61   0.764  -1.241 -10.318
  458    HA   LEU  61           HA       LEU  61   3.230  -2.710  -9.874
  459   1HB   LEU  61          1HB       LEU  61   1.783  -2.730  -7.747
  460   2HB   LEU  61          2HB       LEU  61   0.691  -3.758  -8.650
  461    HG   LEU  61           HG       LEU  61   3.594  -4.458  -8.250
  462   1HD1  LEU  61          1HD1      LEU  61   2.617  -4.230  -6.053
  463   2HD1  LEU  61          2HD1      LEU  61   2.830  -5.938  -6.433
  464   3HD1  LEU  61          3HD1      LEU  61   1.229  -5.205  -6.536
  465   1HD2  LEU  61          1HD2      LEU  61   2.768  -6.741  -8.696
  466   2HD2  LEU  61          2HD2      LEU  61   2.507  -5.646 -10.054
  467   3HD2  LEU  61          3HD2      LEU  61   1.162  -6.077  -8.999
  468    H    LYS  62           H        LYS  62   3.553  -3.716 -11.729
  469    HA   LYS  62           HA       LYS  62   1.229  -4.720 -13.226
  470   1HB   LYS  62          1HB       LYS  62   4.020  -4.051 -14.176
  471   2HB   LYS  62          2HB       LYS  62   2.750  -4.722 -15.191
  472   1HG   LYS  62          1HG       LYS  62   2.099  -2.241 -13.725
  473   2HG   LYS  62          2HG       LYS  62   3.276  -2.109 -15.033
  474   1HD   LYS  62          1HD       LYS  62   1.108  -1.684 -15.951
  475   2HD   LYS  62          2HD       LYS  62   1.635  -3.269 -16.521
  476   1HE   LYS  62          1HE       LYS  62  -0.714  -3.295 -15.844
  477   2HE   LYS  62          2HE       LYS  62   0.263  -4.351 -14.825
  478   1HZ   LYS  62          1HZ       LYS  62  -0.632  -1.608 -14.115
  479   2HZ   LYS  62          2HZ       LYS  62   0.301  -2.622 -13.136
  480   3HZ   LYS  62          3HZ       LYS  62  -1.291  -3.048 -13.516
  481    H    GLY  63           H        GLY  63   1.189  -6.589 -11.784
  482   1HA   GLY  63          1HA       GLY  63   1.497  -8.873 -11.611
  483   2HA   GLY  63          2HA       GLY  63   2.661  -8.779 -12.913
  484    H    THR  64           H        THR  64   4.760  -7.864 -12.342
  485    HA   THR  64           HA       THR  64   5.547  -8.498  -9.580
  486    HB   THR  64           HB       THR  64   7.668  -9.413 -10.414
  487    HG1  THR  64           1HG      THR  64   8.038  -9.622 -12.590
  488   1HG2  THR  64          1HG2      THR  64   6.792 -11.501 -11.358
  489   2HG2  THR  64          2HG2      THR  64   5.242 -10.711 -11.654
  490   3HG2  THR  64          3HG2      THR  64   5.811 -10.945 -10.001
  491    H    GLU  65           H        GLU  65   5.327  -6.108 -11.821
  492    HA   GLU  65           HA       GLU  65   7.843  -4.788 -11.175
  493   1HB   GLU  65          1HB       GLU  65   6.665  -4.789 -13.488
  494   2HB   GLU  65          2HB       GLU  65   5.623  -3.562 -12.785
  495   1HG   GLU  65          1HG       GLU  65   7.388  -2.507 -14.020
  496   2HG   GLU  65          2HG       GLU  65   7.603  -2.189 -12.299
  497    H    LEU  66           H        LEU  66   7.901  -2.623 -10.296
  498    HA   LEU  66           HA       LEU  66   5.515  -1.839  -8.791
  499   1HB   LEU  66          1HB       LEU  66   6.504  -2.616  -6.940
  500   2HB   LEU  66          2HB       LEU  66   8.048  -2.806  -7.741
  501    HG   LEU  66           HG       LEU  66   8.384  -0.320  -7.409
  502   1HD1  LEU  66          1HD1      LEU  66   6.077  -0.709  -5.503
  503   2HD1  LEU  66          2HD1      LEU  66   6.051   0.268  -6.970
  504   3HD1  LEU  66          3HD1      LEU  66   7.088   0.731  -5.621
  505   1HD2  LEU  66          1HD2      LEU  66   9.572  -1.942  -6.083
  506   2HD2  LEU  66          2HD2      LEU  66   8.178  -2.146  -5.021
  507   3HD2  LEU  66          3HD2      LEU  66   9.052  -0.615  -5.046
  508    H    TYR  67           H        TYR  67   5.090   0.280  -8.876
  509    HA   TYR  67           HA       TYR  67   7.163   2.067  -9.965
  510   1HB   TYR  67          1HB       TYR  67   4.172   2.132 -10.417
  511   2HB   TYR  67          2HB       TYR  67   5.289   3.377 -10.963
  512    HD1  TYR  67           1HD      TYR  67   4.634  -0.284 -11.267
  513    HD2  TYR  67           2HD      TYR  67   6.251   3.215 -13.071
  514    HE1  TYR  67           1HE      TYR  67   5.008  -1.539 -13.349
  515    HE2  TYR  67           2HE      TYR  67   6.628   1.970 -15.158
  516    HH   TYR  67           HH       TYR  67   6.919  -0.343 -15.897
  517    H    VAL  68           H        VAL  68   6.624   4.441  -9.475
  518    HA   VAL  68           HA       VAL  68   5.440   4.765  -6.819
  519    HB   VAL  68           HB       VAL  68   7.317   6.241  -6.167
  520   1HG1  VAL  68          1HG1      VAL  68   7.252   3.940  -5.389
  521   2HG1  VAL  68          2HG1      VAL  68   8.916   4.447  -5.679
  522   3HG1  VAL  68          3HG1      VAL  68   8.094   3.409  -6.845
  523   1HG2  VAL  68          1HG2      VAL  68   8.636   5.156  -8.651
  524   2HG2  VAL  68          2HG2      VAL  68   9.427   6.129  -7.410
  525   3HG2  VAL  68          3HG2      VAL  68   8.131   6.825  -8.385
  526    H    GLU  69           H        GLU  69   5.583   5.722  -9.972
  527    HA   GLU  69           HA       GLU  69   5.410   8.539  -9.758
  528   1HB   GLU  69          1HB       GLU  69   4.363   6.725 -11.936
  529   2HB   GLU  69          2HB       GLU  69   4.556   8.467 -12.063
  530   1HG   GLU  69          1HG       GLU  69   6.978   8.197 -11.731
  531   2HG   GLU  69          2HG       GLU  69   6.757   6.450 -11.681
  532    HA   PRO  70           HA       PRO  70   0.599   7.841 -10.041
  533   1HB   PRO  70          1HB       PRO  70  -0.301   5.448  -9.072
  534   2HB   PRO  70          2HB       PRO  70  -0.002   5.768 -10.783
  535   1HG   PRO  70          1HG       PRO  70   1.727   4.367  -8.784
  536   2HG   PRO  70          2HG       PRO  70   1.401   3.947 -10.476
  537   1HD   PRO  70          1HD       PRO  70   3.677   5.167  -9.708
  538   2HD   PRO  70          2HD       PRO  70   2.921   5.485 -11.282
  539    H    VAL  71           H        VAL  71   2.505   6.420  -7.438
  540    HA   VAL  71           HA       VAL  71   0.577   6.944  -5.398
  541    HB   VAL  71           HB       VAL  71   2.697   5.341  -5.429
  542   1HG1  VAL  71          1HG1      VAL  71   4.510   6.165  -4.053
  543   2HG1  VAL  71          2HG1      VAL  71   3.741   7.747  -3.950
  544   3HG1  VAL  71          3HG1      VAL  71   4.339   7.158  -5.500
  545   1HG2  VAL  71          1HG2      VAL  71   2.492   5.160  -2.996
  546   2HG2  VAL  71          2HG2      VAL  71   0.917   5.316  -3.774
  547   3HG2  VAL  71          3HG2      VAL  71   1.638   6.702  -2.959
  548    H    TYR  72           H        TYR  72   3.433   8.659  -6.580
  549    HA   TYR  72           HA       TYR  72   3.503  10.693  -4.674
  550   1HB   TYR  72          1HB       TYR  72   4.160  10.888  -7.625
  551   2HB   TYR  72          2HB       TYR  72   4.627  12.065  -6.405
  552    HD1  TYR  72           1HD      TYR  72   6.471  10.551  -8.296
  553    HD2  TYR  72           2HD      TYR  72   5.224   9.755  -4.307
  554    HE1  TYR  72           1HE      TYR  72   8.551   9.301  -7.901
  555    HE2  TYR  72           2HE      TYR  72   7.299   8.502  -3.901
  556    HH   TYR  72           HH       TYR  72   9.013   7.314  -5.178
  557    H    LYS  73           H        LYS  73   1.245  10.061  -7.166
  558    HA   LYS  73           HA       LYS  73   0.191  12.738  -7.328
  559   1HB   LYS  73          1HB       LYS  73   0.193  11.046  -9.213
  560   2HB   LYS  73          2HB       LYS  73  -1.077  10.196  -8.345
  561   1HG   LYS  73          1HG       LYS  73  -2.146  11.519  -9.976
  562   2HG   LYS  73          2HG       LYS  73  -2.413  12.326  -8.431
  563   1HD   LYS  73          1HD       LYS  73  -1.841  13.984 -10.074
  564   2HD   LYS  73          2HD       LYS  73  -0.493  13.822  -8.948
  565   1HE   LYS  73          1HE       LYS  73   0.248  13.971 -11.292
  566   2HE   LYS  73          2HE       LYS  73   0.713  12.448 -10.533
  567   1HZ   LYS  73          1HZ       LYS  73  -0.138  12.067 -12.746
  568   2HZ   LYS  73          2HZ       LYS  73  -1.587  12.853 -12.369
  569   3HZ   LYS  73          3HZ       LYS  73  -1.195  11.394 -11.608
  570    H    MET  74           H        MET  74  -0.754   9.690  -5.758
  571    HA   MET  74           HA       MET  74  -3.250  10.766  -4.840
  572   1HB   MET  74          1HB       MET  74  -3.489   8.659  -3.622
  573   2HB   MET  74          2HB       MET  74  -3.057   8.382  -5.302
  574   1HG   MET  74          1HG       MET  74  -0.676   8.169  -4.500
  575   2HG   MET  74          2HG       MET  74  -1.330   8.103  -2.869
  576   1HE   MET  74          1HE       MET  74  -4.181   6.529  -3.845
  577   2HE   MET  74          2HE       MET  74  -3.366   6.360  -2.290
  578   3HE   MET  74          3HE       MET  74  -3.718   4.931  -3.262
  579    H    ILE  75           H        ILE  75  -0.042  10.223  -3.459
  580    HA   ILE  75           HA       ILE  75  -0.555  10.660  -0.782
  581    HB   ILE  75           HB       ILE  75   1.834  11.605  -2.378
  582   1HG1  ILE  75          1HG1      ILE  75   1.476   9.130  -0.677
  583   2HG1  ILE  75          2HG1      ILE  75   1.365   9.156  -2.432
  584   1HG2  ILE  75          1HG2      ILE  75   1.655  12.796  -0.249
  585   2HG2  ILE  75          2HG2      ILE  75   3.031  11.693  -0.258
  586   3HG2  ILE  75          3HG2      ILE  75   1.556  11.256   0.604
  587   1HD1  ILE  75          1HD1      ILE  75   3.530   8.350  -1.692
  588   2HD1  ILE  75          2HD1      ILE  75   3.802   9.855  -0.814
  589   3HD1  ILE  75          3HD1      ILE  75   3.689   9.870  -2.573
  590    H    GLU  76           H        GLU  76  -0.706  12.845  -3.439
  591    HA   GLU  76           HA       GLU  76  -0.383  15.296  -2.142
  592   1HB   GLU  76          1HB       GLU  76  -2.180  14.699  -4.487
  593   2HB   GLU  76          2HB       GLU  76  -1.539  16.276  -4.034
  594   1HG   GLU  76          1HG       GLU  76   0.743  15.383  -4.387
  595   2HG   GLU  76          2HG       GLU  76   0.024  13.893  -4.976
  596    H    VAL  77           H        VAL  77  -3.476  13.684  -2.973
  597    HA   VAL  77           HA       VAL  77  -4.898  15.480  -1.177
  598    HB   VAL  77           HB       VAL  77  -6.036  13.197  -2.793
  599   1HG1  VAL  77          1HG1      VAL  77  -8.141  14.420  -2.569
  600   2HG1  VAL  77          2HG1      VAL  77  -7.330  15.647  -1.596
  601   3HG1  VAL  77          3HG1      VAL  77  -7.475  13.997  -0.992
  602   1HG2  VAL  77          1HG2      VAL  77  -6.636  14.897  -4.469
  603   2HG2  VAL  77          2HG2      VAL  77  -4.890  14.730  -4.287
  604   3HG2  VAL  77          3HG2      VAL  77  -5.725  16.100  -3.556
  605    H    VAL  78           H        VAL  78  -3.689  12.260  -1.252
  606    HA   VAL  78           HA       VAL  78  -5.298  11.082   0.727
  607    HB   VAL  78           HB       VAL  78  -2.554  10.430  -0.352
  608   1HG1  VAL  78          1HG1      VAL  78  -4.089   8.871   1.735
  609   2HG1  VAL  78          2HG1      VAL  78  -2.543   9.684   1.971
  610   3HG1  VAL  78          3HG1      VAL  78  -2.655   8.303   0.883
  611   1HG2  VAL  78          1HG2      VAL  78  -3.724   8.513  -1.303
  612   2HG2  VAL  78          2HG2      VAL  78  -4.475  10.031  -1.798
  613   3HG2  VAL  78          3HG2      VAL  78  -5.225   9.044  -0.544
  614    H    HIS  79           H        HIS  79  -3.153  13.602   0.974
  615    HA   HIS  79           HA       HIS  79  -3.078  13.371   3.876
  616   1HB   HIS  79          1HB       HIS  79  -0.605  13.852   2.199
  617   2HB   HIS  79          2HB       HIS  79  -0.683  14.024   3.950
  618    HD1  HIS  79           1HD      HIS  79  -0.927  11.816   5.340
  619    HD2  HIS  79           2HD      HIS  79  -0.355  11.261   1.262
  620    HE1  HIS  79           1HE      HIS  79  -0.323   9.388   5.069
  621    HE2  HIS  79           2HE      HIS  79  -0.071   9.057   2.585
  622    H    ALA  80           H        ALA  80  -4.783  14.984   2.621
  623    HA   ALA  80           HA       ALA  80  -3.840  17.550   1.930
  624   1HB   ALA  80          1HB       ALA  80  -6.049  16.727   1.281
  625   2HB   ALA  80          2HB       ALA  80  -6.159  18.263   2.139
  626   3HB   ALA  80          3HB       ALA  80  -6.559  16.758   2.970
  627    H    GLY  81           H        GLY  81  -3.380  19.326   3.101
  628   1HA   GLY  81          1HA       GLY  81  -4.171  20.454   5.302
  629   2HA   GLY  81          2HA       GLY  81  -3.428  19.037   6.025
  630    H    ASN  82           H        ASN  82  -1.104  18.648   5.266
  631    HA   ASN  82           HA       ASN  82   0.301  21.238   5.238
  632   1HB   ASN  82          1HB       ASN  82   1.169  18.597   6.429
  633   2HB   ASN  82          2HB       ASN  82   2.164  20.048   6.373
  634   1HD2  ASN  82          1HD2      ASN  82   2.331  20.186   8.589
  635   2HD2  ASN  82          2HD2      ASN  82   1.008  20.653   9.596
  636    H    ALA  83           H        ALA  83   2.129  21.474   3.942
  637    HA   ALA  83           HA       ALA  83   2.085  19.937   1.517
  638   1HB   ALA  83          1HB       ALA  83   2.459  22.341   1.456
  639   2HB   ALA  83          2HB       ALA  83   3.832  21.478   0.763
  640   3HB   ALA  83          3HB       ALA  83   3.942  22.147   2.392
  641    H    ASP  84           H        ASP  84   3.876  19.826   4.464
  642    HA   ASP  84           HA       ASP  84   6.092  18.380   3.298
  643   1HB   ASP  84          1HB       ASP  84   5.469  18.775   6.226
  644   2HB   ASP  84          2HB       ASP  84   6.995  18.242   5.523
  645    H    ASP  85           H        ASP  85   3.072  17.654   4.864
  646    HA   ASP  85           HA       ASP  85   3.574  15.025   5.685
  647   1HB   ASP  85          1HB       ASP  85   1.057  16.393   4.729
  648   2HB   ASP  85          2HB       ASP  85   1.063  14.712   5.255
  649    H    ILE  86           H        ILE  86   3.086  16.449   2.590
  650    HA   ILE  86           HA       ILE  86   2.745  13.929   1.201
  651    HB   ILE  86           HB       ILE  86   3.134  16.739   0.141
  652   1HG1  ILE  86          1HG1      ILE  86   0.608  15.083   0.242
  653   2HG1  ILE  86          2HG1      ILE  86   1.029  16.289   1.455
  654   1HG2  ILE  86          1HG2      ILE  86   2.334  14.215  -1.306
  655   2HG2  ILE  86          2HG2      ILE  86   3.865  15.074  -1.477
  656   3HG2  ILE  86          3HG2      ILE  86   2.364  15.834  -2.004
  657   1HD1  ILE  86          1HD1      ILE  86   0.991  18.026  -0.240
  658   2HD1  ILE  86          2HD1      ILE  86  -0.544  17.158  -0.188
  659   3HD1  ILE  86          3HD1      ILE  86   0.614  16.826  -1.477
  660    H    GLN  87           H        GLN  87   5.234  16.155   2.091
  661    HA   GLN  87           HA       GLN  87   7.198  15.148   0.251
  662   1HB   GLN  87          1HB       GLN  87   7.969  17.207   0.669
  663   2HB   GLN  87          2HB       GLN  87   6.935  17.369   2.078
  664   1HG   GLN  87          1HG       GLN  87   8.560  16.386   3.487
  665   2HG   GLN  87          2HG       GLN  87   9.564  15.923   2.115
  666   1HE2  GLN  87          1HE2      GLN  87  10.224  17.559   4.441
  667   2HE2  GLN  87          2HE2      GLN  87  10.744  19.086   3.821
  668    H    LEU  88           H        LEU  88   6.051  14.336   3.372
  669    HA   LEU  88           HA       LEU  88   8.446  12.983   4.235
  670   1HB   LEU  88          1HB       LEU  88   6.869  14.061   5.818
  671   2HB   LEU  88          2HB       LEU  88   5.652  12.880   5.376
  672    HG   LEU  88           HG       LEU  88   7.103  11.085   6.264
  673   1HD1  LEU  88          1HD1      LEU  88   9.266  12.147   5.951
  674   2HD1  LEU  88          2HD1      LEU  88   9.040  11.686   7.638
  675   3HD1  LEU  88          3HD1      LEU  88   8.856  13.370   7.153
  676   1HD2  LEU  88          1HD2      LEU  88   6.785  11.624   8.625
  677   2HD2  LEU  88          2HD2      LEU  88   5.377  12.087   7.668
  678   3HD2  LEU  88          3HD2      LEU  88   6.521  13.317   8.206
  679    H    VAL  89           H        VAL  89   5.131  11.904   3.462
  680    HA   VAL  89           HA       VAL  89   5.591   9.170   3.507
  681    HB   VAL  89           HB       VAL  89   3.685  10.680   1.711
  682   1HG1  VAL  89          1HG1      VAL  89   3.794   7.776   2.509
  683   2HG1  VAL  89          2HG1      VAL  89   3.911   8.452   0.883
  684   3HG1  VAL  89          3HG1      VAL  89   2.388   8.542   1.770
  685   1HG2  VAL  89          1HG2      VAL  89   3.338  11.219   4.048
  686   2HG2  VAL  89          2HG2      VAL  89   3.303   9.506   4.463
  687   3HG2  VAL  89          3HG2      VAL  89   2.027  10.198   3.463
  688    H    LYS  90           H        LYS  90   6.163  11.504   0.943
  689    HA   LYS  90           HA       LYS  90   6.665   9.698  -1.150
  690   1HB   LYS  90          1HB       LYS  90   7.015  12.546  -0.641
  691   2HB   LYS  90          2HB       LYS  90   8.279  11.888  -1.669
  692   1HG   LYS  90          1HG       LYS  90   6.847  11.435  -3.379
  693   2HG   LYS  90          2HG       LYS  90   5.470  11.187  -2.308
  694   1HD   LYS  90          1HD       LYS  90   4.944  13.400  -2.239
  695   2HD   LYS  90          2HD       LYS  90   6.619  13.912  -2.447
  696   1HE   LYS  90          1HE       LYS  90   6.522  13.276  -4.806
  697   2HE   LYS  90          2HE       LYS  90   4.854  12.745  -4.596
  698   1HZ   LYS  90          1HZ       LYS  90   4.994  14.961  -5.566
  699   2HZ   LYS  90          2HZ       LYS  90   5.826  15.524  -4.205
  700   3HZ   LYS  90          3HZ       LYS  90   4.224  15.001  -4.061
  701    H    GLY  91           H        GLY  91   8.654  10.869   1.471
  702   1HA   GLY  91          1HA       GLY  91  11.085   9.751   0.347
  703   2HA   GLY  91          2HA       GLY  91  10.926  10.557   1.901
  704    H    ILE  92           H        ILE  92   8.558   8.766   2.493
  705    HA   ILE  92           HA       ILE  92  10.028   6.736   3.859
  706    HB   ILE  92           HB       ILE  92   7.055   7.036   3.508
  707   1HG1  ILE  92          1HG1      ILE  92   8.807   7.805   5.787
  708   2HG1  ILE  92          2HG1      ILE  92   8.143   8.930   4.626
  709   1HG2  ILE  92          1HG2      ILE  92   6.858   5.547   5.436
  710   2HG2  ILE  92          2HG2      ILE  92   8.609   5.332   5.432
  711   3HG2  ILE  92          3HG2      ILE  92   7.645   4.750   4.075
  712   1HD1  ILE  92          1HD1      ILE  92   6.582   7.225   6.550
  713   2HD1  ILE  92          2HD1      ILE  92   5.889   8.330   5.362
  714   3HD1  ILE  92          3HD1      ILE  92   6.872   8.959   6.686
  715    H    ALA  93           H        ALA  93   7.932   6.812   1.015
  716    HA   ALA  93           HA       ALA  93   7.758   4.038   0.596
  717   1HB   ALA  93          1HB       ALA  93   7.671   6.252  -1.453
  718   2HB   ALA  93          2HB       ALA  93   6.298   5.650  -0.525
  719   3HB   ALA  93          3HB       ALA  93   7.105   4.598  -1.688
  720    H    ASN  94           H        ASN  94  10.231   6.371  -0.167
  721    HA   ASN  94           HA       ASN  94  11.679   4.972  -2.098
  722   1HB   ASN  94          1HB       ASN  94  12.134   7.305  -1.591
  723   2HB   ASN  94          2HB       ASN  94  12.656   6.879   0.036
  724   1HD2  ASN  94          1HD2      ASN  94  13.470   6.871  -3.332
  725   2HD2  ASN  94          2HD2      ASN  94  15.143   6.488  -3.138
  726    H    GLU  95           H        GLU  95  11.439   4.477   1.327
  727    HA   GLU  95           HA       GLU  95  13.832   2.903   1.552
  728   1HB   GLU  95          1HB       GLU  95  12.735   4.213   3.430
  729   2HB   GLU  95          2HB       GLU  95  11.511   2.949   3.484
  730   1HG   GLU  95          1HG       GLU  95  13.202   2.595   5.182
  731   2HG   GLU  95          2HG       GLU  95  13.232   1.298   3.989
  732    H    CYS  96           H        CYS  96  10.613   2.329   0.552
  733    HA   CYS  96           HA       CYS  96  10.679  -0.514   1.112
  734   1HB   CYS  96          1HB       CYS  96   8.661   1.334  -0.124
  735   2HB   CYS  96          2HB       CYS  96   8.481  -0.412  -0.241
  736    H    ILE  97           H        ILE  97  10.808   1.597  -1.744
  737    HA   ILE  97           HA       ILE  97  10.842  -0.416  -3.686
  738    HB   ILE  97           HB       ILE  97  11.942   2.385  -3.660
  739   1HG1  ILE  97          1HG1      ILE  97  10.171   2.645  -5.439
  740   2HG1  ILE  97          2HG1      ILE  97   9.667   1.000  -5.075
  741   1HG2  ILE  97          1HG2      ILE  97  13.464   1.211  -5.090
  742   2HG2  ILE  97          2HG2      ILE  97  12.353   2.131  -6.105
  743   3HG2  ILE  97          3HG2      ILE  97  12.135   0.393  -5.912
  744   1HD1  ILE  97          1HD1      ILE  97   9.149   1.669  -2.786
  745   2HD1  ILE  97          2HD1      ILE  97   8.241   2.610  -3.969
  746   3HD1  ILE  97          3HD1      ILE  97   9.641   3.319  -3.163
  747    H    GLU  98           H        GLU  98  13.472   1.062  -1.854
  748    HA   GLU  98           HA       GLU  98  15.535  -0.395  -3.190
  749   1HB   GLU  98          1HB       GLU  98  15.585   1.020  -0.517
  750   2HB   GLU  98          2HB       GLU  98  16.997   0.435  -1.387
  751   1HG   GLU  98          1HG       GLU  98  16.451   1.973  -3.237
  752   2HG   GLU  98          2HG       GLU  98  15.106   2.599  -2.285
  753    H    ASN  99           H        ASN  99  13.254  -1.205  -0.833
  754    HA   ASN  99           HA       ASN  99  14.882  -3.379   0.259
  755   1HB   ASN  99          1HB       ASN  99  13.750  -2.131   1.953
  756   2HB   ASN  99          2HB       ASN  99  12.221  -2.212   1.080
  757   1HD2  ASN  99          1HD2      ASN  99  10.990  -4.048   1.181
  758   2HD2  ASN  99          2HD2      ASN  99  11.303  -5.331   2.294
  759    H    ALA 100           H        ALA 100  11.412  -3.220  -0.503
  760    HA   ALA 100           HA       ALA 100  11.083  -5.895  -1.122
  761   1HB   ALA 100          1HB       ALA 100   9.550  -3.546  -2.230
  762   2HB   ALA 100          2HB       ALA 100   9.208  -4.401  -0.726
  763   3HB   ALA 100          3HB       ALA 100   9.023  -5.228  -2.271
  764    H    LYS 101           H        LYS 101  11.749  -3.191  -3.319
  765    HA   LYS 101           HA       LYS 101  12.710  -3.090  -5.373
  766   1HB   LYS 101          1HB       LYS 101  14.386  -4.615  -4.342
  767   2HB   LYS 101          2HB       LYS 101  13.478  -5.974  -4.987
  768   1HG   LYS 101          1HG       LYS 101  14.260  -3.849  -6.888
  769   2HG   LYS 101          2HG       LYS 101  15.531  -4.884  -6.255
  770   1HD   LYS 101          1HD       LYS 101  13.016  -5.868  -7.587
  771   2HD   LYS 101          2HD       LYS 101  14.585  -5.712  -8.381
  772   1HE   LYS 101          1HE       LYS 101  13.752  -7.600  -6.204
  773   2HE   LYS 101          2HE       LYS 101  14.473  -7.958  -7.770
  774   1HZ   LYS 101          1HZ       LYS 101  16.081  -8.242  -6.007
  775   2HZ   LYS 101          2HZ       LYS 101  15.852  -6.646  -5.494
  776   3HZ   LYS 101          3HZ       LYS 101  16.542  -6.956  -7.007
  777    H    GLY 102           H        GLY 102  11.648  -6.498  -5.408
  778   1HA   GLY 102          1HA       GLY 102   9.239  -6.362  -6.618
  779   2HA   GLY 102          2HA       GLY 102  10.347  -6.075  -7.952
  780    H    GLU 103           H        GLU 103   9.635  -8.363  -5.338
  781    HA   GLU 103           HA       GLU 103  11.228 -10.479  -6.263
  782   1HB   GLU 103          1HB       GLU 103   8.700 -10.505  -4.615
  783   2HB   GLU 103          2HB       GLU 103   9.720 -11.912  -4.869
  784   1HG   GLU 103          1HG       GLU 103  10.601  -9.345  -3.570
  785   2HG   GLU 103          2HG       GLU 103  10.117 -10.807  -2.711
  786    H    THR 104           H        THR 104   9.935 -12.712  -6.710
  787    HA   THR 104           HA       THR 104   8.763 -12.296  -9.322
  788    HB   THR 104           HB       THR 104  10.391 -14.071  -9.115
  789    HG1  THR 104           1HG      THR 104   8.190 -14.300 -10.322
  790   1HG2  THR 104          1HG2      THR 104   8.484 -15.375  -7.167
  791   2HG2  THR 104          2HG2      THR 104  10.017 -14.615  -6.740
  792   3HG2  THR 104          3HG2      THR 104  10.000 -16.054  -7.760
  793    H    ASP 105           H        ASP 105   7.739 -13.675  -6.208
  794    HA   ASP 105           HA       ASP 105   5.066 -14.153  -7.241
  795   1HB   ASP 105          1HB       ASP 105   6.106 -15.783  -5.700
  796   2HB   ASP 105          2HB       ASP 105   6.156 -14.548  -4.446
  797    H    GLU 106           H        GLU 106   3.484 -12.711  -7.157
  798    HA   GLU 106           HA       GLU 106   3.667 -10.105  -6.468
  799   1HB   GLU 106          1HB       GLU 106   1.778 -11.039  -7.686
  800   2HB   GLU 106          2HB       GLU 106   1.200 -11.829  -6.224
  801   1HG   GLU 106          1HG       GLU 106   0.794  -9.670  -5.193
  802   2HG   GLU 106          2HG       GLU 106   1.437  -8.852  -6.618
  803    H    CYS 107           H        CYS 107   1.935 -12.382  -4.316
  804    HA   CYS 107           HA       CYS 107   1.659 -10.747  -2.138
  805   1HB   CYS 107          1HB       CYS 107   2.173 -13.726  -2.144
  806   2HB   CYS 107          2HB       CYS 107   1.554 -12.816  -0.770
  807    H    ASN 108           H        ASN 108   4.497 -12.601  -3.094
  808    HA   ASN 108           HA       ASN 108   5.965 -12.205  -0.702
  809   1HB   ASN 108          1HB       ASN 108   6.506 -13.951  -2.390
  810   2HB   ASN 108          2HB       ASN 108   7.040 -12.682  -3.489
  811   1HD2  ASN 108          1HD2      ASN 108   9.139 -13.375  -3.597
  812   2HD2  ASN 108          2HD2      ASN 108  10.236 -13.263  -2.268
  813    H    ILE 109           H        ILE 109   5.808 -10.443  -3.764
  814    HA   ILE 109           HA       ILE 109   7.848  -8.592  -3.306
  815    HB   ILE 109           HB       ILE 109   5.270  -8.063  -4.791
  816   1HG1  ILE 109          1HG1      ILE 109   7.848  -9.137  -5.934
  817   2HG1  ILE 109          2HG1      ILE 109   6.496 -10.163  -5.477
  818   1HG2  ILE 109          1HG2      ILE 109   6.648  -6.488  -6.089
  819   2HG2  ILE 109          2HG2      ILE 109   8.016  -6.838  -5.031
  820   3HG2  ILE 109          3HG2      ILE 109   6.573  -6.060  -4.380
  821   1HD1  ILE 109          1HD1      ILE 109   6.503  -9.719  -7.860
  822   2HD1  ILE 109          2HD1      ILE 109   6.431  -7.986  -7.547
  823   3HD1  ILE 109          3HD1      ILE 109   5.078  -9.021  -7.094
  824    H    GLY 110           H        GLY 110   4.362  -8.344  -2.673
  825   1HA   GLY 110          1HA       GLY 110   4.450  -5.782  -1.496
  826   2HA   GLY 110          2HA       GLY 110   3.154  -6.952  -1.311
  827    H    ASN 111           H        ASN 111   4.757  -9.025  -0.101
  828    HA   ASN 111           HA       ASN 111   4.429  -8.484   2.573
  829   1HB   ASN 111          1HB       ASN 111   5.956 -10.473   1.037
  830   2HB   ASN 111          2HB       ASN 111   6.558 -10.194   2.670
  831   1HD2  ASN 111          1HD2      ASN 111   5.057 -10.447   4.439
  832   2HD2  ASN 111          2HD2      ASN 111   3.751 -11.571   4.286
  833    H    LYS 112           H        LYS 112   7.264  -7.808   0.585
  834    HA   LYS 112           HA       LYS 112   8.747  -6.791   2.860
  835   1HB   LYS 112          1HB       LYS 112   9.367  -7.032  -0.078
  836   2HB   LYS 112          2HB       LYS 112  10.429  -6.178   1.030
  837   1HG   LYS 112          1HG       LYS 112  11.370  -8.285   0.923
  838   2HG   LYS 112          2HG       LYS 112  10.400  -8.364   2.395
  839   1HD   LYS 112          1HD       LYS 112   8.613  -9.483   1.173
  840   2HD   LYS 112          2HD       LYS 112   9.548  -9.362  -0.321
  841   1HE   LYS 112          1HE       LYS 112   9.754 -11.588   0.631
  842   2HE   LYS 112          2HE       LYS 112  11.305 -10.752   0.677
  843   1HZ   LYS 112          1HZ       LYS 112  10.877 -11.907   2.746
  844   2HZ   LYS 112          2HZ       LYS 112   9.429 -11.059   2.961
  845   3HZ   LYS 112          3HZ       LYS 112  10.906 -10.236   3.010
  846    H    TYR 113           H        TYR 113   6.694  -5.590   0.358
  847    HA   TYR 113           HA       TYR 113   7.619  -2.877   0.468
  848   1HB   TYR 113          1HB       TYR 113   6.371  -4.103  -1.458
  849   2HB   TYR 113          2HB       TYR 113   4.915  -3.677  -0.561
  850    HD1  TYR 113           1HD      TYR 113   4.059  -1.460  -0.599
  851    HD2  TYR 113           2HD      TYR 113   7.861  -2.299  -2.311
  852    HE1  TYR 113           1HE      TYR 113   4.084   0.774  -1.626
  853    HE2  TYR 113           2HE      TYR 113   7.896  -0.069  -3.343
  854    HH   TYR 113           HH       TYR 113   5.697   2.387  -2.485
  855    H    THR 114           H        THR 114   4.440  -4.274   1.342
  856    HA   THR 114           HA       THR 114   3.500  -2.097   2.768
  857    HB   THR 114           HB       THR 114   1.995  -3.888   2.198
  858    HG1  THR 114           1HG      THR 114   2.344  -3.269   4.922
  859   1HG2  THR 114          1HG2      THR 114   3.873  -5.533   3.829
  860   2HG2  THR 114          2HG2      THR 114   3.104  -5.900   2.283
  861   3HG2  THR 114          3HG2      THR 114   2.171  -5.984   3.777
  862    H    ASP 115           H        ASP 115   5.757  -4.561   3.708
  863    HA   ASP 115           HA       ASP 115   5.701  -4.429   6.468
  864   1HB   ASP 115          1HB       ASP 115   7.088  -6.018   5.219
  865   2HB   ASP 115          2HB       ASP 115   8.126  -4.699   4.675
  866    H    CYS 116           H        CYS 116   8.163  -2.746   4.537
  867    HA   CYS 116           HA       CYS 116   9.041  -1.030   6.528
  868   1HB   CYS 116          1HB       CYS 116   9.640   0.443   4.408
  869   2HB   CYS 116          2HB       CYS 116  10.475  -1.073   4.737
  870    H    TYR 117           H        TYR 117   6.336  -0.666   4.308
  871    HA   TYR 117           HA       TYR 117   5.853   2.068   4.714
  872   1HB   TYR 117          1HB       TYR 117   4.743   0.181   3.120
  873   2HB   TYR 117          2HB       TYR 117   3.483   0.335   4.339
  874    HD1  TYR 117           1HD      TYR 117   1.750   1.657   3.576
  875    HD2  TYR 117           2HD      TYR 117   5.742   2.776   2.623
  876    HE1  TYR 117           1HE      TYR 117   0.912   3.677   2.451
  877    HE2  TYR 117           2HE      TYR 117   4.916   4.799   1.499
  878    HH   TYR 117           HH       TYR 117   1.754   5.928   1.838
  879    H    ILE 118           H        ILE 118   4.968  -0.763   6.576
  880    HA   ILE 118           HA       ILE 118   3.289   0.757   8.385
  881    HB   ILE 118           HB       ILE 118   4.214  -2.117   8.501
  882   1HG1  ILE 118          1HG1      ILE 118   1.546  -0.906   7.753
  883   2HG1  ILE 118          2HG1      ILE 118   2.709  -1.583   6.620
  884   1HG2  ILE 118          1HG2      ILE 118   2.178  -0.689  10.203
  885   2HG2  ILE 118          2HG2      ILE 118   3.748  -1.289  10.737
  886   3HG2  ILE 118          3HG2      ILE 118   2.499  -2.423  10.223
  887   1HD1  ILE 118          1HD1      ILE 118   0.979  -3.180   6.989
  888   2HD1  ILE 118          2HD1      ILE 118   1.168  -3.056   8.738
  889   3HD1  ILE 118          3HD1      ILE 118   2.449  -3.771   7.762
  890    H    GLU 119           H        GLU 119   6.589  -0.009   8.046
  891    HA   GLU 119           HA       GLU 119   7.320   0.003  10.796
  892   1HB   GLU 119          1HB       GLU 119   8.923   0.445   8.277
  893   2HB   GLU 119          2HB       GLU 119   9.639   0.413   9.883
  894   1HG   GLU 119          1HG       GLU 119   8.114  -1.848   8.610
  895   2HG   GLU 119          2HG       GLU 119   9.869  -1.723   8.717
  896    H    LYS 120           H        LYS 120   7.797   2.460   8.237
  897    HA   LYS 120           HA       LYS 120   8.360   4.467  10.256
  898   1HB   LYS 120          1HB       LYS 120   8.229   4.753   7.253
  899   2HB   LYS 120          2HB       LYS 120   8.866   5.938   8.380
  900   1HG   LYS 120          1HG       LYS 120  10.782   4.954   7.596
  901   2HG   LYS 120          2HG       LYS 120  10.486   4.027   9.069
  902   1HD   LYS 120          1HD       LYS 120   9.418   2.266   7.739
  903   2HD   LYS 120          2HD       LYS 120   9.720   3.196   6.270
  904   1HE   LYS 120          1HE       LYS 120  11.394   1.461   6.528
  905   2HE   LYS 120          2HE       LYS 120  12.133   3.054   6.691
  906   1HZ   LYS 120          1HZ       LYS 120  12.938   1.507   8.370
  907   2HZ   LYS 120          2HZ       LYS 120  11.364   1.281   8.945
  908   3HZ   LYS 120          3HZ       LYS 120  12.105   2.793   9.085
  909    H    LEU 121           H        LEU 121   5.949   3.992   7.678
  910    HA   LEU 121           HA       LEU 121   4.428   6.280   8.640
  911   1HB   LEU 121          1HB       LEU 121   4.874   5.243   6.149
  912   2HB   LEU 121          2HB       LEU 121   3.264   4.651   6.503
  913    HG   LEU 121           HG       LEU 121   4.127   7.542   6.512
  914   1HD1  LEU 121          1HD1      LEU 121   4.028   6.629   4.274
  915   2HD1  LEU 121          2HD1      LEU 121   2.666   7.716   4.543
  916   3HD1  LEU 121          3HD1      LEU 121   2.422   5.970   4.587
  917   1HD2  LEU 121          1HD2      LEU 121   1.729   8.028   6.758
  918   2HD2  LEU 121          2HD2      LEU 121   2.377   7.163   8.152
  919   3HD2  LEU 121          3HD2      LEU 121   1.411   6.304   6.952
  920    H    PHE 122           H        PHE 122   4.470   2.931   9.227
  921    HA   PHE 122           HA       PHE 122   3.099   1.597  10.462
  922   1HB   PHE 122          1HB       PHE 122   2.330   2.813  12.177
  923   2HB   PHE 122          2HB       PHE 122   2.254   4.267  11.190
  924    HD1  PHE 122           1HD      PHE 122   0.392   1.199  12.098
  925    HD2  PHE 122           2HD      PHE 122   0.202   5.141  10.506
  926    HE1  PHE 122           1HE      PHE 122  -2.063   1.108  12.187
  927    HE2  PHE 122           2HE      PHE 122  -2.252   5.060  10.593
  928    HZ   PHE 122           HZ       PHE 122  -3.394   3.030  11.377
  929    H    SER 123           H        SER 123   1.862   3.487   7.853
  930    HA   SER 123           HA       SER 123  -0.596   2.063   7.532
  931   1HB   SER 123          1HB       SER 123  -0.673   3.210   5.321
  932   2HB   SER 123          2HB       SER 123  -0.397   4.320   6.663
  933    HG   SER 123           HG       SER 123   1.302   4.916   5.597
  934   1H4   TSD 124          1H4       TSP 124  -2.363  -0.822  -1.084
  935   2H4   TSD 124          2H4       TSP 124  -0.640  -0.891  -1.367
  936   3H4   TSD 124          3H4       TSP 124  -1.707  -0.287  -2.614
  937   1H5   TSD 124          1H5       TSP 124  -1.872   2.084  -3.125
  938   2H5   TSD 124          2H5       TSP 124  -0.836   3.230  -2.307
  939   3H5   TSD 124          3H5       TSP 124  -2.544   3.171  -1.933
  940   1H6   TSD 124          1H6       TSP 124   0.612   0.720   0.341
  941   2H6   TSD 124          2H6       TSP 124   0.329   2.443   0.440
  942   3H6   TSD 124          3H6       TSP 124   1.015   1.750  -1.012
  943   1D3   TSD 124          1D3       TSP 124  -2.472   2.595   0.820
  944   2D3   TSD 124          2D3       TSP 124  -3.558   1.472   0.028
  945   1D2   TSD 124          1D2       TSP 124  -1.473   0.742   2.108
  946   2D2   TSD 124          2D2       TSP 124  -2.546  -0.401   1.300
  Start of MODEL    6
    1    HA   ILE   1           HA       ILE   1   0.979  13.924   9.751
    2    HB   ILE   1           HB       ILE   1   0.518  12.010   8.254
    3   1HG1  ILE   1          1HG1      ILE   1   2.643  10.572   9.861
    4   2HG1  ILE   1          2HG1      ILE   1   0.918  10.236   9.967
    5   1HG2  ILE   1          1HG2      ILE   1   2.297  13.583   7.725
    6   2HG2  ILE   1          2HG2      ILE   1   2.724  11.957   7.191
    7   3HG2  ILE   1          3HG2      ILE   1   3.444  12.622   8.660
    8   1HD1  ILE   1          1HD1      ILE   1   2.041   8.616   8.561
    9   2HD1  ILE   1          2HD1      ILE   1   2.638   9.909   7.521
   10   3HD1  ILE   1          3HD1      ILE   1   0.907   9.581   7.615
   11    H    ASP   2           H        ASP   2  -1.239  13.708   9.689
   12    HA   ASP   2           HA       ASP   2  -2.449  12.586  12.026
   13   1HB   ASP   2          1HB       ASP   2  -3.677  13.856   9.568
   14   2HB   ASP   2          2HB       ASP   2  -4.567  13.425  11.025
   15    H    GLN   3           H        GLN   3  -3.537  10.731  12.271
   16    HA   GLN   3           HA       GLN   3  -3.223   8.630  10.415
   17   1HB   GLN   3          1HB       GLN   3  -3.446   8.285  12.844
   18   2HB   GLN   3          2HB       GLN   3  -5.109   8.846  12.771
   19   1HG   GLN   3          1HG       GLN   3  -5.649   6.951  11.287
   20   2HG   GLN   3          2HG       GLN   3  -3.995   6.372  11.475
   21   1HE2  GLN   3          1HE2      GLN   3  -7.069   6.827  13.025
   22   2HE2  GLN   3          2HE2      GLN   3  -6.756   5.824  14.396
   23    H    ASP   4           H        ASP   4  -5.642  11.042  10.841
   24    HA   ASP   4           HA       ASP   4  -7.821   9.781   9.573
   25   1HB   ASP   4          1HB       ASP   4  -7.151  12.724   9.788
   26   2HB   ASP   4          2HB       ASP   4  -8.712  12.076   9.291
   27    H    THR   5           H        THR   5  -5.439  12.107   8.304
   28    HA   THR   5           HA       THR   5  -6.279  12.250   5.679
   29    HB   THR   5           HB       THR   5  -3.954  12.797   5.078
   30    HG1  THR   5           1HG      THR   5  -2.399  11.999   6.257
   31   1HG2  THR   5          1HG2      THR   5  -4.859  14.010   7.692
   32   2HG2  THR   5          2HG2      THR   5  -5.357  14.527   6.080
   33   3HG2  THR   5          3HG2      THR   5  -3.679  14.715   6.586
   34    H    VAL   6           H        VAL   6  -4.579   9.694   7.296
   35    HA   VAL   6           HA       VAL   6  -3.792   8.331   4.898
   36    HB   VAL   6           HB       VAL   6  -3.926   7.279   7.725
   37   1HG1  VAL   6          1HG1      VAL   6  -3.854   5.486   6.103
   38   2HG1  VAL   6          2HG1      VAL   6  -2.295   5.617   6.917
   39   3HG1  VAL   6          3HG1      VAL   6  -2.491   6.249   5.282
   40   1HG2  VAL   6          1HG2      VAL   6  -1.648   8.543   6.205
   41   2HG2  VAL   6          2HG2      VAL   6  -1.502   7.747   7.771
   42   3HG2  VAL   6          3HG2      VAL   6  -2.475   9.208   7.613
   43    H    VAL   7           H        VAL   7  -6.030   7.373   7.508
   44    HA   VAL   7           HA       VAL   7  -7.196   5.251   6.077
   45    HB   VAL   7           HB       VAL   7  -8.343   6.830   8.381
   46   1HG1  VAL   7          1HG1      VAL   7  -9.694   4.804   8.796
   47   2HG1  VAL   7          2HG1      VAL   7  -9.089   4.119   7.287
   48   3HG1  VAL   7          3HG1      VAL   7 -10.082   5.576   7.260
   49   1HG2  VAL   7          1HG2      VAL   7  -6.769   4.257   8.371
   50   2HG2  VAL   7          2HG2      VAL   7  -7.439   5.066   9.789
   51   3HG2  VAL   7          3HG2      VAL   7  -6.152   5.836   8.859
   52    H    ALA   8           H        ALA   8  -8.626   8.417   6.875
   53    HA   ALA   8           HA       ALA   8 -10.988   8.204   5.511
   54   1HB   ALA   8          1HB       ALA   8 -11.053  10.628   5.456
   55   2HB   ALA   8          2HB       ALA   8  -9.320  10.699   5.768
   56   3HB   ALA   8          3HB       ALA   8 -10.412  10.058   6.996
   57    H    LYS   9           H        LYS   9  -7.819   8.975   4.139
   58    HA   LYS   9           HA       LYS   9  -9.017   9.548   1.552
   59   1HB   LYS   9          1HB       LYS   9  -6.151   9.566   2.480
   60   2HB   LYS   9          2HB       LYS   9  -6.648   9.930   0.835
   61   1HG   LYS   9          1HG       LYS   9  -7.462  11.455   3.302
   62   2HG   LYS   9          2HG       LYS   9  -6.264  11.963   2.113
   63   1HD   LYS   9          1HD       LYS   9  -9.204  11.519   1.591
   64   2HD   LYS   9          2HD       LYS   9  -8.403  13.083   1.744
   65   1HE   LYS   9          1HE       LYS   9  -6.973  12.452  -0.206
   66   2HE   LYS   9          2HE       LYS   9  -7.964  11.006  -0.397
   67   1HZ   LYS   9          1HZ       LYS   9  -8.903  13.818  -0.587
   68   2HZ   LYS   9          2HZ       LYS   9  -9.903  12.456  -0.686
   69   3HZ   LYS   9          3HZ       LYS   9  -8.726  12.728  -1.871
   70    H    TYR  10           H        TYR  10  -6.478   7.288   2.669
   71    HA   TYR  10           HA       TYR  10  -6.221   5.801   0.369
   72   1HB   TYR  10          1HB       TYR  10  -5.809   5.194   3.255
   73   2HB   TYR  10          2HB       TYR  10  -5.798   3.846   2.125
   74    HD1  TYR  10           1HD      TYR  10  -4.172   3.973   0.144
   75    HD2  TYR  10           2HD      TYR  10  -3.910   6.527   3.536
   76    HE1  TYR  10           1HE      TYR  10  -1.832   4.470  -0.418
   77    HE2  TYR  10           2HE      TYR  10  -1.568   7.031   2.984
   78    HH   TYR  10           HH       TYR  10  -0.169   6.221  -0.005
   79    H    MET  11           H        MET  11  -8.796   5.710   2.706
   80    HA   MET  11           HA       MET  11  -9.900   3.218   1.879
   81   1HB   MET  11          1HB       MET  11 -10.420   4.049   4.072
   82   2HB   MET  11          2HB       MET  11 -11.068   5.543   3.411
   83   1HG   MET  11          1HG       MET  11 -12.811   3.987   4.167
   84   2HG   MET  11          2HG       MET  11 -12.934   4.372   2.452
   85   1HE   MET  11          1HE       MET  11 -11.203   0.396   4.045
   86   2HE   MET  11          2HE       MET  11 -11.764   1.704   5.088
   87   3HE   MET  11          3HE       MET  11 -10.320   1.922   4.099
   88    H    GLU  12           H        GLU  12 -10.931   6.587   1.313
   89    HA   GLU  12           HA       GLU  12 -12.982   5.950  -0.505
   90   1HB   GLU  12          1HB       GLU  12 -12.834   8.106   0.663
   91   2HB   GLU  12          2HB       GLU  12 -11.389   8.506  -0.257
   92   1HG   GLU  12          1HG       GLU  12 -13.162   9.651  -1.295
   93   2HG   GLU  12          2HG       GLU  12 -12.795   8.273  -2.336
   94    H    TYR  13           H        TYR  13  -9.630   6.957  -1.031
   95    HA   TYR  13           HA       TYR  13  -9.511   7.264  -3.729
   96   1HB   TYR  13          1HB       TYR  13  -7.651   7.351  -1.892
   97   2HB   TYR  13          2HB       TYR  13  -7.364   5.679  -2.358
   98    HD1  TYR  13           1HD      TYR  13  -6.406   8.981  -2.945
   99    HD2  TYR  13           2HD      TYR  13  -7.150   5.334  -5.006
  100    HE1  TYR  13           1HE      TYR  13  -4.983   9.744  -4.798
  101    HE2  TYR  13           2HE      TYR  13  -5.735   6.090  -6.869
  102    HH   TYR  13           HH       TYR  13  -4.923   8.202  -7.822
  103    H    LEU  14           H        LEU  14  -9.534   4.201  -1.957
  104    HA   LEU  14           HA       LEU  14 -10.281   2.841  -4.427
  105   1HB   LEU  14          1HB       LEU  14  -7.979   1.967  -2.682
  106   2HB   LEU  14          2HB       LEU  14  -8.671   1.010  -3.978
  107    HG   LEU  14           HG       LEU  14  -7.546   3.739  -4.511
  108   1HD1  LEU  14          1HD1      LEU  14  -5.818   2.397  -3.371
  109   2HD1  LEU  14          2HD1      LEU  14  -5.419   2.742  -5.053
  110   3HD1  LEU  14          3HD1      LEU  14  -6.017   1.147  -4.599
  111   1HD2  LEU  14          1HD2      LEU  14  -7.906   1.285  -6.224
  112   2HD2  LEU  14          2HD2      LEU  14  -7.275   2.842  -6.759
  113   3HD2  LEU  14          3HD2      LEU  14  -8.951   2.706  -6.227
  114    H    MET  15           H        MET  15 -12.239   3.181  -2.849
  115    HA   MET  15           HA       MET  15 -12.377   1.208  -0.746
  116   1HB   MET  15          1HB       MET  15 -13.505   3.268  -0.313
  117   2HB   MET  15          2HB       MET  15 -14.372   3.185  -1.840
  118   1HG   MET  15          1HG       MET  15 -15.622   1.270  -1.047
  119   2HG   MET  15          2HG       MET  15 -14.738   1.302   0.476
  120   1HE   MET  15          1HE       MET  15 -17.729   4.535  -0.904
  121   2HE   MET  15          2HE       MET  15 -17.407   3.039  -1.781
  122   3HE   MET  15          3HE       MET  15 -16.168   4.289  -1.686
  123    HA   PRO  16           HA       PRO  16 -15.434  -0.853  -3.801
  124   1HB   PRO  16          1HB       PRO  16 -15.712   0.090  -6.302
  125   2HB   PRO  16          2HB       PRO  16 -16.620   0.772  -4.947
  126   1HG   PRO  16          1HG       PRO  16 -14.145   1.799  -6.279
  127   2HG   PRO  16          2HG       PRO  16 -15.580   2.693  -5.742
  128   1HD   PRO  16          1HD       PRO  16 -13.249   2.573  -4.315
  129   2HD   PRO  16          2HD       PRO  16 -14.842   2.812  -3.576
  130    H    ASP  17           H        ASP  17 -12.469   0.471  -5.112
  131    HA   ASP  17           HA       ASP  17 -11.965  -1.641  -6.962
  132   1HB   ASP  17          1HB       ASP  17 -10.079   0.381  -5.732
  133   2HB   ASP  17          2HB       ASP  17  -9.679  -0.688  -7.072
  134    H    ILE  18           H        ILE  18 -11.854  -1.455  -3.613
  135    HA   ILE  18           HA       ILE  18  -9.645  -3.235  -3.165
  136    HB   ILE  18           HB       ILE  18 -11.678  -1.891  -1.477
  137   1HG1  ILE  18          1HG1      ILE  18  -8.739  -2.477  -1.060
  138   2HG1  ILE  18          2HG1      ILE  18  -9.369  -1.038  -1.853
  139   1HG2  ILE  18          1HG2      ILE  18 -12.057  -4.145  -0.734
  140   2HG2  ILE  18          2HG2      ILE  18 -11.102  -3.306   0.488
  141   3HG2  ILE  18          3HG2      ILE  18 -10.323  -4.444  -0.613
  142   1HD1  ILE  18          1HD1      ILE  18  -9.888  -1.839   1.002
  143   2HD1  ILE  18          2HD1      ILE  18 -10.481  -0.379   0.208
  144   3HD1  ILE  18          3HD1      ILE  18  -8.750  -0.604   0.463
  145    H    MET  19           H        MET  19 -13.155  -3.556  -3.381
  146    HA   MET  19           HA       MET  19 -13.554  -6.093  -2.421
  147   1HB   MET  19          1HB       MET  19 -14.917  -5.039  -4.898
  148   2HB   MET  19          2HB       MET  19 -15.548  -6.203  -3.742
  149   1HG   MET  19          1HG       MET  19 -15.029  -3.280  -3.255
  150   2HG   MET  19          2HG       MET  19 -16.598  -4.068  -3.412
  151   1HE   MET  19          1HE       MET  19 -17.394  -2.942  -1.167
  152   2HE   MET  19          2HE       MET  19 -15.829  -2.157  -0.954
  153   3HE   MET  19          3HE       MET  19 -16.539  -3.082   0.369
  154    HA   PRO  20           HA       PRO  20 -12.619  -7.841  -6.990
  155   1HB   PRO  20          1HB       PRO  20 -10.387  -5.918  -7.486
  156   2HB   PRO  20          2HB       PRO  20 -11.483  -6.689  -8.637
  157   1HG   PRO  20          1HG       PRO  20 -11.819  -4.145  -7.949
  158   2HG   PRO  20          2HG       PRO  20 -13.215  -5.215  -8.178
  159   1HD   PRO  20          1HD       PRO  20 -12.002  -4.196  -5.658
  160   2HD   PRO  20          2HD       PRO  20 -13.697  -4.548  -6.034
  161    H    CYS  21           H        CYS  21  -9.902  -6.241  -5.317
  162    HA   CYS  21           HA       CYS  21  -8.054  -8.306  -5.612
  163   1HB   CYS  21          1HB       CYS  21  -8.270  -6.227  -3.429
  164   2HB   CYS  21          2HB       CYS  21  -6.858  -7.243  -3.708
  165    H    ALA  22           H        ALA  22 -10.372  -7.702  -2.994
  166    HA   ALA  22           HA       ALA  22  -9.524  -9.746  -1.273
  167   1HB   ALA  22          1HB       ALA  22 -11.092  -7.932  -0.653
  168   2HB   ALA  22          2HB       ALA  22 -11.675  -9.534  -0.201
  169   3HB   ALA  22          3HB       ALA  22 -12.340  -8.719  -1.618
  170    H    ASP  23           H        ASP  23 -11.905  -9.772  -3.898
  171    HA   ASP  23           HA       ASP  23 -12.617 -12.515  -3.512
  172   1HB   ASP  23          1HB       ASP  23 -13.074 -10.625  -5.829
  173   2HB   ASP  23          2HB       ASP  23 -13.738 -12.253  -5.742
  174    H    GLU  24           H        GLU  24  -9.997 -10.922  -4.941
  175    HA   GLU  24           HA       GLU  24  -9.357 -12.588  -7.089
  176   1HB   GLU  24          1HB       GLU  24  -8.296 -10.375  -6.499
  177   2HB   GLU  24          2HB       GLU  24  -7.353 -11.235  -5.293
  178   1HG   GLU  24          1HG       GLU  24  -6.034 -10.947  -7.271
  179   2HG   GLU  24          2HG       GLU  24  -6.420 -12.656  -7.071
  180    H    LEU  25           H        LEU  25  -8.115 -12.747  -3.721
  181    HA   LEU  25           HA       LEU  25  -7.124 -15.450  -4.339
  182   1HB   LEU  25          1HB       LEU  25  -6.620 -13.773  -1.878
  183   2HB   LEU  25          2HB       LEU  25  -5.760 -15.227  -2.363
  184    HG   LEU  25           HG       LEU  25  -5.715 -12.794  -4.119
  185   1HD1  LEU  25          1HD1      LEU  25  -3.881 -11.875  -2.989
  186   2HD1  LEU  25          2HD1      LEU  25  -3.662 -13.314  -1.995
  187   3HD1  LEU  25          3HD1      LEU  25  -5.042 -12.254  -1.718
  188   1HD2  LEU  25          1HD2      LEU  25  -4.879 -14.889  -5.035
  189   2HD2  LEU  25          2HD2      LEU  25  -3.789 -15.065  -3.658
  190   3HD2  LEU  25          3HD2      LEU  25  -3.563 -13.737  -4.796
  191    H    HIS  26           H        HIS  26  -9.110 -13.702  -1.980
  192    HA   HIS  26           HA       HIS  26 -10.981 -15.716  -1.607
  193   1HB   HIS  26          1HB       HIS  26  -8.965 -16.882  -0.571
  194   2HB   HIS  26          2HB       HIS  26  -9.040 -15.674   0.709
  195    HD1  HIS  26           1HD      HIS  26 -10.502 -18.851  -0.385
  196    HD2  HIS  26           2HD      HIS  26 -11.469 -15.813   2.281
  197    HE1  HIS  26           1HE      HIS  26 -12.268 -19.817   1.122
  198    HE2  HIS  26           2HE      HIS  26 -12.814 -17.972   2.750
  199    H    ILE  27           H        ILE  27  -9.168 -13.763   0.685
  200    HA   ILE  27           HA       ILE  27 -11.496 -12.025   1.147
  201    HB   ILE  27           HB       ILE  27 -10.516 -12.032   3.608
  202   1HG1  ILE  27          1HG1      ILE  27 -10.010 -14.908   2.972
  203   2HG1  ILE  27          2HG1      ILE  27  -8.736 -13.741   2.620
  204   1HG2  ILE  27          1HG2      ILE  27 -12.795 -12.620   3.083
  205   2HG2  ILE  27          2HG2      ILE  27 -12.130 -13.816   4.196
  206   3HG2  ILE  27          3HG2      ILE  27 -12.289 -14.198   2.482
  207   1HD1  ILE  27          1HD1      ILE  27 -10.025 -14.236   5.300
  208   2HD1  ILE  27          2HD1      ILE  27  -8.780 -13.030   4.970
  209   3HD1  ILE  27          3HD1      ILE  27  -8.413 -14.747   4.798
  210    H    SER  28           H        SER  28 -10.862  -9.965   2.238
  211    HA   SER  28           HA       SER  28  -8.384  -8.982   1.116
  212   1HB   SER  28          1HB       SER  28  -9.152  -6.780   1.789
  213   2HB   SER  28          2HB       SER  28 -10.471  -7.632   0.991
  214    HG   SER  28           HG       SER  28 -11.549  -7.202   2.736
  215    H    GLU  29           H        GLU  29  -6.687  -8.050   2.308
  216    HA   GLU  29           HA       GLU  29  -5.902  -9.395   4.601
  217   1HB   GLU  29          1HB       GLU  29  -4.246  -7.498   4.879
  218   2HB   GLU  29          2HB       GLU  29  -4.218  -8.332   3.334
  219   1HG   GLU  29          1HG       GLU  29  -4.010  -6.047   2.851
  220   2HG   GLU  29          2HG       GLU  29  -5.669  -6.478   2.438
  221    H    ASP  30           H        ASP  30  -8.031  -6.709   4.278
  222    HA   ASP  30           HA       ASP  30  -7.770  -5.698   6.931
  223   1HB   ASP  30          1HB       ASP  30  -8.691  -4.333   5.102
  224   2HB   ASP  30          2HB       ASP  30 -10.063  -5.430   4.973
  225    H    ILE  31           H        ILE  31 -10.224  -7.738   5.350
  226    HA   ILE  31           HA       ILE  31 -11.493  -8.366   7.861
  227    HB   ILE  31           HB       ILE  31 -11.905  -9.690   5.173
  228   1HG1  ILE  31          1HG1      ILE  31 -13.455  -7.392   6.388
  229   2HG1  ILE  31          2HG1      ILE  31 -12.238  -7.210   5.128
  230   1HG2  ILE  31          1HG2      ILE  31 -12.804 -10.999   6.987
  231   2HG2  ILE  31          2HG2      ILE  31 -14.132 -10.244   6.106
  232   3HG2  ILE  31          3HG2      ILE  31 -13.613  -9.584   7.656
  233   1HD1  ILE  31          1HD1      ILE  31 -14.787  -8.791   4.877
  234   2HD1  ILE  31          2HD1      ILE  31 -13.582  -8.543   3.613
  235   3HD1  ILE  31          3HD1      ILE  31 -14.506  -7.174   4.231
  236    H    ALA  32           H        ALA  32  -8.742  -9.398   6.299
  237    HA   ALA  32           HA       ALA  32  -8.815 -12.187   6.864
  238   1HB   ALA  32          1HB       ALA  32  -6.439 -10.408   6.332
  239   2HB   ALA  32          2HB       ALA  32  -7.395 -11.244   5.107
  240   3HB   ALA  32          3HB       ALA  32  -6.453 -12.171   6.276
  241    H    THR  33           H        THR  33  -8.926  -9.784   8.993
  242    HA   THR  33           HA       THR  33  -6.843 -10.206  10.810
  243    HB   THR  33           HB       THR  33  -8.480  -9.318  12.536
  244    HG1  THR  33           1HG      THR  33 -10.312 -10.113  11.061
  245   1HG2  THR  33          1HG2      THR  33  -8.555  -7.062  11.515
  246   2HG2  THR  33          2HG2      THR  33  -8.056  -7.771   9.979
  247   3HG2  THR  33          3HG2      THR  33  -6.973  -7.829  11.369
  248    H    ASN  34           H        ASN  34  -9.260 -12.346   9.903
  249    HA   ASN  34           HA       ASN  34  -9.732 -13.641  12.398
  250   1HB   ASN  34          1HB       ASN  34 -10.710 -15.444  11.020
  251   2HB   ASN  34          2HB       ASN  34 -11.320 -13.857  10.560
  252   1HD2  ASN  34          1HD2      ASN  34 -10.580 -12.912   8.625
  253   2HD2  ASN  34          2HD2      ASN  34  -9.918 -13.879   7.356
  254    H    ILE  35           H        ILE  35  -6.943 -13.352  10.773
  255    HA   ILE  35           HA       ILE  35  -6.005 -16.038  11.547
  256    HB   ILE  35           HB       ILE  35  -4.946 -14.258   9.348
  257   1HG1  ILE  35          1HG1      ILE  35  -6.259 -16.978   9.172
  258   2HG1  ILE  35          2HG1      ILE  35  -7.102 -15.457   8.892
  259   1HG2  ILE  35          1HG2      ILE  35  -3.129 -15.447  10.418
  260   2HG2  ILE  35          2HG2      ILE  35  -3.447 -16.146   8.831
  261   3HG2  ILE  35          3HG2      ILE  35  -4.012 -16.969  10.285
  262   1HD1  ILE  35          1HD1      ILE  35  -6.435 -16.563   6.813
  263   2HD1  ILE  35          2HD1      ILE  35  -4.747 -16.451   7.307
  264   3HD1  ILE  35          3HD1      ILE  35  -5.674 -14.984   7.001
  265    H    GLN  36           H        GLN  36  -5.052 -12.623  11.245
  266    HA   GLN  36           HA       GLN  36  -3.572 -11.337  12.403
  267   1HB   GLN  36          1HB       GLN  36  -3.844 -13.466  14.535
  268   2HB   GLN  36          2HB       GLN  36  -3.210 -11.843  14.761
  269   1HG   GLN  36          1HG       GLN  36  -6.003 -12.332  13.793
  270   2HG   GLN  36          2HG       GLN  36  -5.599 -12.294  15.507
  271   1HE2  GLN  36          1HE2      GLN  36  -7.330 -10.526  13.976
  272   2HE2  GLN  36          2HE2      GLN  36  -6.689  -8.933  14.170
  273    H    ALA  37           H        ALA  37  -1.706 -11.442  11.242
  274    HA   ALA  37           HA       ALA  37   0.005 -13.777  11.417
  275   1HB   ALA  37          1HB       ALA  37   0.357 -11.186   9.920
  276   2HB   ALA  37          2HB       ALA  37  -0.232 -12.713   9.263
  277   3HB   ALA  37          3HB       ALA  37   1.438 -12.574   9.815
  278    H    ALA  38           H        ALA  38   0.949 -10.348  11.594
  279    HA   ALA  38           HA       ALA  38   1.768 -10.171  14.209
  280   1HB   ALA  38          1HB       ALA  38   3.235 -12.039  13.940
  281   2HB   ALA  38          2HB       ALA  38   4.225 -10.586  14.051
  282   3HB   ALA  38          3HB       ALA  38   3.943 -11.341  12.484
  283    H    LYS  39           H        LYS  39   2.374  -9.327  10.865
  284    HA   LYS  39           HA       LYS  39   4.103  -7.160  11.253
  285   1HB   LYS  39          1HB       LYS  39   3.080  -8.331   9.071
  286   2HB   LYS  39          2HB       LYS  39   2.066  -6.896   9.122
  287   1HG   LYS  39          1HG       LYS  39   5.079  -6.916   9.086
  288   2HG   LYS  39          2HG       LYS  39   4.032  -6.572   7.709
  289   1HD   LYS  39          1HD       LYS  39   3.379  -4.521   8.551
  290   2HD   LYS  39          2HD       LYS  39   3.736  -4.973  10.216
  291   1HE   LYS  39          1HE       LYS  39   6.133  -4.912   9.709
  292   2HE   LYS  39          2HE       LYS  39   5.763  -4.428   8.056
  293   1HZ   LYS  39          1HZ       LYS  39   5.072  -2.885  10.497
  294   2HZ   LYS  39          2HZ       LYS  39   4.741  -2.415   8.906
  295   3HZ   LYS  39          3HZ       LYS  39   6.343  -2.530   9.437
  296    H    ASN  40           H        ASN  40   0.592  -6.966  10.625
  297    HA   ASN  40           HA       ASN  40   0.502  -4.632  12.414
  298   1HB   ASN  40          1HB       ASN  40  -1.147  -3.584  10.925
  299   2HB   ASN  40          2HB       ASN  40   0.381  -3.857  10.092
  300   1HD2  ASN  40          1HD2      ASN  40   0.513  -5.581   8.583
  301   2HD2  ASN  40          2HD2      ASN  40  -0.908  -6.191   7.813
  302    H    GLY  41           H        GLY  41  -0.539  -7.711  11.900
  303   1HA   GLY  41          1HA       GLY  41  -1.977  -8.761  13.512
  304   2HA   GLY  41          2HA       GLY  41  -2.916  -7.276  13.580
  305    H    ALA  42           H        ALA  42  -2.349  -7.499  10.444
  306    HA   ALA  42           HA       ALA  42  -4.940  -8.674   9.894
  307   1HB   ALA  42          1HB       ALA  42  -4.438  -6.630   8.760
  308   2HB   ALA  42          2HB       ALA  42  -4.475  -7.923   7.559
  309   3HB   ALA  42          3HB       ALA  42  -2.930  -7.292   8.126
  310    H    ASP  43           H        ASP  43  -1.985  -9.011   7.965
  311    HA   ASP  43           HA       ASP  43  -1.451 -11.697   8.366
  312   1HB   ASP  43          1HB       ASP  43  -3.770 -12.040   7.505
  313   2HB   ASP  43          2HB       ASP  43  -3.276 -11.300   5.986
  314    H    MET  44           H        MET  44   0.584 -10.646   8.105
  315    HA   MET  44           HA       MET  44   1.519  -9.225   5.930
  316   1HB   MET  44          1HB       MET  44   2.739  -9.632   8.059
  317   2HB   MET  44          2HB       MET  44   3.079 -11.268   7.519
  318   1HG   MET  44          1HG       MET  44   4.263 -10.306   5.551
  319   2HG   MET  44          2HG       MET  44   4.031  -8.709   6.266
  320   1HE   MET  44          1HE       MET  44   4.802 -12.110   8.127
  321   2HE   MET  44          2HE       MET  44   6.564 -12.062   8.176
  322   3HE   MET  44          3HE       MET  44   5.727 -12.209   6.631
  323    H    SER  45           H        SER  45   1.274 -12.732   6.325
  324    HA   SER  45           HA       SER  45   2.734 -13.603   4.153
  325   1HB   SER  45          1HB       SER  45   0.163 -14.761   5.251
  326   2HB   SER  45          2HB       SER  45   1.265 -15.604   4.163
  327    HG   SER  45           HG       SER  45   2.851 -15.509   5.756
  328    H    GLN  46           H        GLN  46  -0.785 -12.969   4.178
  329    HA   GLN  46           HA       GLN  46  -0.851 -13.082   1.289
  330   1HB   GLN  46          1HB       GLN  46  -2.902 -12.869   3.440
  331   2HB   GLN  46          2HB       GLN  46  -3.329 -12.389   1.800
  332   1HG   GLN  46          1HG       GLN  46  -2.222 -15.070   2.600
  333   2HG   GLN  46          2HG       GLN  46  -3.913 -14.713   2.274
  334   1HE2  GLN  46          1HE2      GLN  46  -0.745 -15.086   0.884
  335   2HE2  GLN  46          2HE2      GLN  46  -1.257 -15.221  -0.759
  336    H    LEU  47           H        LEU  47  -0.269 -10.707   3.610
  337    HA   LEU  47           HA       LEU  47  -1.496  -8.465   2.435
  338   1HB   LEU  47          1HB       LEU  47  -0.428  -8.633   4.739
  339   2HB   LEU  47          2HB       LEU  47   1.116  -8.440   3.937
  340    HG   LEU  47           HG       LEU  47   0.212  -6.252   3.010
  341   1HD1  LEU  47          1HD1      LEU  47  -1.621  -5.236   4.275
  342   2HD1  LEU  47          2HD1      LEU  47  -1.856  -6.754   5.141
  343   3HD1  LEU  47          3HD1      LEU  47  -2.145  -6.679   3.405
  344   1HD2  LEU  47          1HD2      LEU  47   0.523  -6.511   5.998
  345   2HD2  LEU  47          2HD2      LEU  47   0.725  -5.036   5.053
  346   3HD2  LEU  47          3HD2      LEU  47   1.843  -6.382   4.837
  347    H    GLY  48           H        GLY  48   1.637 -10.007   1.915
  348   1HA   GLY  48          1HA       GLY  48   2.592  -8.042   0.099
  349   2HA   GLY  48          2HA       GLY  48   3.223  -9.668   0.283
  350    H    CYS  49           H        CYS  49  -0.040  -9.865  -0.272
  351    HA   CYS  49           HA       CYS  49   0.274  -9.985  -3.187
  352   1HB   CYS  49          1HB       CYS  49  -0.626 -12.097  -1.308
  353   2HB   CYS  49          2HB       CYS  49  -1.465 -11.966  -2.846
  354    H    LEU  50           H        LEU  50  -2.350 -10.708  -0.922
  355    HA   LEU  50           HA       LEU  50  -4.447  -9.676  -2.334
  356   1HB   LEU  50          1HB       LEU  50  -4.417 -10.917  -0.086
  357   2HB   LEU  50          2HB       LEU  50  -4.201  -9.347   0.648
  358    HG   LEU  50           HG       LEU  50  -6.533 -10.049   0.746
  359   1HD1  LEU  50          1HD1      LEU  50  -5.994  -7.646   0.526
  360   2HD1  LEU  50          2HD1      LEU  50  -7.572  -8.070  -0.137
  361   3HD1  LEU  50          3HD1      LEU  50  -6.208  -7.788  -1.218
  362   1HD2  LEU  50          1HD2      LEU  50  -6.379 -10.096  -2.263
  363   2HD2  LEU  50          2HD2      LEU  50  -7.856 -10.249  -1.313
  364   3HD2  LEU  50          3HD2      LEU  50  -6.604 -11.484  -1.199
  365    H    LYS  51           H        LYS  51  -2.535  -7.966   0.129
  366    HA   LYS  51           HA       LYS  51  -3.695  -5.433  -0.468
  367   1HB   LYS  51          1HB       LYS  51  -2.873  -5.497   1.692
  368   2HB   LYS  51          2HB       LYS  51  -1.445  -6.407   1.241
  369   1HG   LYS  51          1HG       LYS  51  -0.765  -4.227   1.912
  370   2HG   LYS  51          2HG       LYS  51  -0.548  -4.349   0.168
  371   1HD   LYS  51          1HD       LYS  51  -2.733  -3.203  -0.128
  372   2HD   LYS  51          2HD       LYS  51  -2.809  -2.985   1.623
  373   1HE   LYS  51          1HE       LYS  51  -1.967  -0.986   0.450
  374   2HE   LYS  51          2HE       LYS  51  -0.796  -1.654   1.586
  375   1HZ   LYS  51          1HZ       LYS  51   0.321  -2.731  -0.279
  376   2HZ   LYS  51          2HZ       LYS  51   0.264  -1.054  -0.489
  377   3HZ   LYS  51          3HZ       LYS  51  -0.790  -2.052  -1.359
  378    H    ALA  52           H        ALA  52  -1.112  -7.335  -1.790
  379    HA   ALA  52           HA       ALA  52   0.328  -5.156  -2.984
  380   1HB   ALA  52          1HB       ALA  52   0.312  -8.078  -3.756
  381   2HB   ALA  52          2HB       ALA  52   1.375  -7.341  -2.558
  382   3HB   ALA  52          3HB       ALA  52   1.499  -6.871  -4.254
  383    H    CYS  53           H        CYS  53  -2.573  -6.803  -3.683
  384    HA   CYS  53           HA       CYS  53  -2.647  -6.483  -6.497
  385   1HB   CYS  53          1HB       CYS  53  -4.158  -8.059  -5.584
  386   2HB   CYS  53          2HB       CYS  53  -4.772  -6.909  -4.402
  387    H    VAL  54           H        VAL  54  -3.579  -4.477  -3.775
  388    HA   VAL  54           HA       VAL  54  -5.019  -2.493  -5.127
  389    HB   VAL  54           HB       VAL  54  -3.249  -2.180  -2.692
  390   1HG1  VAL  54          1HG1      VAL  54  -5.513  -0.453  -3.687
  391   2HG1  VAL  54          2HG1      VAL  54  -3.800  -0.036  -3.718
  392   3HG1  VAL  54          3HG1      VAL  54  -4.631  -0.235  -2.176
  393   1HG2  VAL  54          1HG2      VAL  54  -6.197  -2.788  -2.904
  394   2HG2  VAL  54          2HG2      VAL  54  -5.312  -2.491  -1.407
  395   3HG2  VAL  54          3HG2      VAL  54  -4.939  -3.909  -2.385
  396    H    MET  55           H        MET  55  -1.627  -3.156  -4.903
  397    HA   MET  55           HA       MET  55  -0.618  -0.638  -5.686
  398   1HB   MET  55          1HB       MET  55   0.588  -3.370  -6.154
  399   2HB   MET  55          2HB       MET  55   1.446  -1.840  -6.198
  400   1HG   MET  55          1HG       MET  55   0.962  -1.510  -3.820
  401   2HG   MET  55          2HG       MET  55   0.140  -3.070  -3.784
  402   1HE   MET  55          1HE       MET  55   1.709  -3.829  -1.749
  403   2HE   MET  55          2HE       MET  55   2.515  -2.259  -1.805
  404   3HE   MET  55          3HE       MET  55   3.471  -3.742  -1.801
  405    H    LYS  56           H        LYS  56  -1.253  -3.603  -7.549
  406    HA   LYS  56           HA       LYS  56  -0.584  -2.501 -10.065
  407   1HB   LYS  56          1HB       LYS  56  -2.566  -4.727  -9.831
  408   2HB   LYS  56          2HB       LYS  56  -1.247  -4.522 -10.977
  409   1HG   LYS  56          1HG       LYS  56   0.363  -5.022  -9.197
  410   2HG   LYS  56          2HG       LYS  56  -0.974  -5.270  -8.072
  411   1HD   LYS  56          1HD       LYS  56  -1.825  -7.063  -9.558
  412   2HD   LYS  56          2HD       LYS  56  -0.395  -6.857 -10.570
  413   1HE   LYS  56          1HE       LYS  56   1.016  -7.386  -8.607
  414   2HE   LYS  56          2HE       LYS  56  -0.449  -7.687  -7.673
  415   1HZ   LYS  56          1HZ       LYS  56   0.398  -9.173 -10.101
  416   2HZ   LYS  56          2HZ       LYS  56  -1.024  -9.452  -9.228
  417   3HZ   LYS  56          3HZ       LYS  56   0.479  -9.743  -8.508
  418    H    ARG  57           H        ARG  57  -3.310  -2.085  -8.075
  419    HA   ARG  57           HA       ARG  57  -5.290  -1.678 -10.071
  420   1HB   ARG  57          1HB       ARG  57  -5.778  -2.155  -7.676
  421   2HB   ARG  57          2HB       ARG  57  -5.196  -0.548  -7.269
  422   1HG   ARG  57          1HG       ARG  57  -7.555  -0.436  -7.321
  423   2HG   ARG  57          2HG       ARG  57  -6.978   0.374  -8.778
  424   1HD   ARG  57          1HD       ARG  57  -7.774  -2.523  -8.780
  425   2HD   ARG  57          2HD       ARG  57  -8.958  -1.237  -9.009
  426    HE   ARG  57           HE       ARG  57  -6.729  -0.987 -10.778
  427   1HH1  ARG  57          1HH1      ARG  57  -9.756  -2.645 -10.279
  428   2HH1  ARG  57          2HH1      ARG  57 -10.011  -2.954 -11.964
  429   1HH2  ARG  57          1HH2      ARG  57  -7.059  -1.393 -12.997
  430   2HH2  ARG  57          2HH2      ARG  57  -8.478  -2.244 -13.509
  431    H    ILE  58           H        ILE  58  -3.180   0.544  -8.267
  432    HA   ILE  58           HA       ILE  58  -4.134   2.797  -9.850
  433    HB   ILE  58           HB       ILE  58  -2.618   4.152  -8.418
  434   1HG1  ILE  58          1HG1      ILE  58  -2.204   1.558  -6.913
  435   2HG1  ILE  58          2HG1      ILE  58  -0.998   2.306  -7.956
  436   1HG2  ILE  58          1HG2      ILE  58  -3.960   3.929  -6.376
  437   2HG2  ILE  58          2HG2      ILE  58  -4.574   2.381  -6.959
  438   3HG2  ILE  58          3HG2      ILE  58  -4.957   3.865  -7.830
  439   1HD1  ILE  58          1HD1      ILE  58  -0.951   4.261  -6.493
  440   2HD1  ILE  58          2HD1      ILE  58  -0.558   2.780  -5.620
  441   3HD1  ILE  58          3HD1      ILE  58  -2.156   3.505  -5.451
  442    H    GLU  59           H        GLU  59  -2.574   0.643 -11.109
  443    HA   GLU  59           HA       GLU  59  -0.863   0.358 -12.587
  444   1HB   GLU  59          1HB       GLU  59  -1.042   3.374 -12.684
  445   2HB   GLU  59          2HB       GLU  59  -0.143   2.390 -13.829
  446   1HG   GLU  59          1HG       GLU  59  -3.113   2.234 -13.368
  447   2HG   GLU  59          2HG       GLU  59  -2.328   3.095 -14.691
  448    H    MET  60           H        MET  60  -0.222   0.641  -9.752
  449    HA   MET  60           HA       MET  60   2.387   1.948  -9.766
  450   1HB   MET  60          1HB       MET  60   0.930   2.377  -7.859
  451   2HB   MET  60          2HB       MET  60   0.817   0.654  -7.531
  452   1HG   MET  60          1HG       MET  60   3.299   0.663  -7.170
  453   2HG   MET  60          2HG       MET  60   3.226   2.423  -7.257
  454   1HE   MET  60          1HE       MET  60   3.753   1.435  -3.435
  455   2HE   MET  60          2HE       MET  60   4.470   2.275  -4.811
  456   3HE   MET  60          3HE       MET  60   4.313   0.518  -4.835
  457    H    LEU  61           H        LEU  61   1.018  -1.155 -10.130
  458    HA   LEU  61           HA       LEU  61   3.688  -2.324 -10.151
  459   1HB   LEU  61          1HB       LEU  61   2.832  -2.774  -7.907
  460   2HB   LEU  61          2HB       LEU  61   1.382  -3.482  -8.588
  461    HG   LEU  61           HG       LEU  61   2.781  -5.267  -9.610
  462   1HD1  LEU  61          1HD1      LEU  61   4.891  -4.111  -9.764
  463   2HD1  LEU  61          2HD1      LEU  61   5.081  -5.552  -8.764
  464   3HD1  LEU  61          3HD1      LEU  61   4.975  -3.962  -8.008
  465   1HD2  LEU  61          1HD2      LEU  61   1.643  -5.633  -7.488
  466   2HD2  LEU  61          2HD2      LEU  61   3.022  -4.961  -6.619
  467   3HD2  LEU  61          3HD2      LEU  61   3.196  -6.468  -7.519
  468    H    LYS  62           H        LYS  62   3.732  -2.779 -12.284
  469    HA   LYS  62           HA       LYS  62   1.426  -3.921 -13.608
  470   1HB   LYS  62          1HB       LYS  62   4.197  -3.173 -14.529
  471   2HB   LYS  62          2HB       LYS  62   3.059  -4.009 -15.576
  472   1HG   LYS  62          1HG       LYS  62   2.083  -1.553 -14.253
  473   2HG   LYS  62          2HG       LYS  62   3.304  -1.353 -15.512
  474   1HD   LYS  62          1HD       LYS  62   1.198  -1.201 -16.590
  475   2HD   LYS  62          2HD       LYS  62   1.847  -2.792 -16.986
  476   1HE   LYS  62          1HE       LYS  62   0.459  -3.784 -15.221
  477   2HE   LYS  62          2HE       LYS  62  -0.199  -2.191 -14.850
  478   1HZ   LYS  62          1HZ       LYS  62  -1.698  -3.433 -16.260
  479   2HZ   LYS  62          2HZ       LYS  62  -0.491  -3.636 -17.428
  480   3HZ   LYS  62          3HZ       LYS  62  -1.098  -2.092 -17.100
  481    H    GLY  63           H        GLY  63   1.337  -5.821 -12.230
  482   1HA   GLY  63          1HA       GLY  63   1.521  -8.127 -12.144
  483   2HA   GLY  63          2HA       GLY  63   2.713  -8.044 -13.434
  484    H    THR  64           H        THR  64   4.746  -6.693 -12.541
  485    HA   THR  64           HA       THR  64   5.481  -7.429  -9.849
  486    HB   THR  64           HB       THR  64   7.588  -8.581 -10.624
  487    HG1  THR  64           1HG      THR  64   7.584  -9.394 -12.743
  488   1HG2  THR  64          1HG2      THR  64   6.520 -10.756 -10.993
  489   2HG2  THR  64          2HG2      THR  64   4.981  -9.950 -11.300
  490   3HG2  THR  64          3HG2      THR  64   5.721  -9.861  -9.702
  491    H    GLU  65           H        GLU  65   5.377  -5.185 -12.093
  492    HA   GLU  65           HA       GLU  65   8.093  -4.156 -11.819
  493   1HB   GLU  65          1HB       GLU  65   5.760  -3.012 -13.352
  494   2HB   GLU  65          2HB       GLU  65   7.438  -2.506 -13.469
  495   1HG   GLU  65          1HG       GLU  65   6.309  -5.169 -14.299
  496   2HG   GLU  65          2HG       GLU  65   6.843  -3.871 -15.364
  497    H    LEU  66           H        LEU  66   8.463  -3.127  -9.958
  498    HA   LEU  66           HA       LEU  66   6.496  -1.805  -8.413
  499   1HB   LEU  66          1HB       LEU  66   9.506  -1.721  -8.373
  500   2HB   LEU  66          2HB       LEU  66   8.530  -0.811  -7.243
  501    HG   LEU  66           HG       LEU  66   7.544  -2.951  -6.444
  502   1HD1  LEU  66          1HD1      LEU  66   7.836  -4.390  -8.311
  503   2HD1  LEU  66          2HD1      LEU  66   8.822  -5.027  -6.994
  504   3HD1  LEU  66          3HD1      LEU  66   9.582  -4.134  -8.310
  505   1HD2  LEU  66          1HD2      LEU  66   9.533  -3.659  -5.197
  506   2HD2  LEU  66          2HD2      LEU  66   9.359  -1.905  -5.236
  507   3HD2  LEU  66          3HD2      LEU  66  10.539  -2.700  -6.280
  508    H    TYR  67           H        TYR  67   5.883   0.292  -8.285
  509    HA   TYR  67           HA       TYR  67   7.314   2.303  -9.864
  510   1HB   TYR  67          1HB       TYR  67   4.375   1.661 -10.096
  511   2HB   TYR  67          2HB       TYR  67   5.035   3.217 -10.580
  512    HD1  TYR  67           1HD      TYR  67   4.349  -0.116 -11.605
  513    HD2  TYR  67           2HD      TYR  67   6.943   3.181 -12.321
  514    HE1  TYR  67           1HE      TYR  67   4.912  -1.044 -13.811
  515    HE2  TYR  67           2HE      TYR  67   7.514   2.260 -14.528
  516    HH   TYR  67           HH       TYR  67   7.518   0.068 -15.664
  517    H    VAL  68           H        VAL  68   6.719   4.534  -9.252
  518    HA   VAL  68           HA       VAL  68   5.496   4.741  -6.595
  519    HB   VAL  68           HB       VAL  68   7.762   6.538  -6.844
  520   1HG1  VAL  68          1HG1      VAL  68   8.249   5.653  -4.594
  521   2HG1  VAL  68          2HG1      VAL  68   6.967   4.461  -4.809
  522   3HG1  VAL  68          3HG1      VAL  68   6.575   6.180  -4.769
  523   1HG2  VAL  68          1HG2      VAL  68   8.754   4.708  -8.110
  524   2HG2  VAL  68          2HG2      VAL  68   8.354   3.579  -6.815
  525   3HG2  VAL  68          3HG2      VAL  68   9.526   4.867  -6.532
  526    H    GLU  69           H        GLU  69   5.863   5.908  -9.725
  527    HA   GLU  69           HA       GLU  69   5.527   8.659  -9.455
  528   1HB   GLU  69          1HB       GLU  69   4.396   6.882 -11.626
  529   2HB   GLU  69          2HB       GLU  69   4.605   8.624 -11.729
  530   1HG   GLU  69          1HG       GLU  69   7.021   8.350 -11.535
  531   2HG   GLU  69          2HG       GLU  69   6.814   6.602 -11.426
  532    HA   PRO  70           HA       PRO  70   0.735   7.981  -9.488
  533   1HB   PRO  70          1HB       PRO  70  -0.190   5.536  -8.755
  534   2HB   PRO  70          2HB       PRO  70   0.133   5.974 -10.436
  535   1HG   PRO  70          1HG       PRO  70   1.826   4.411  -8.526
  536   2HG   PRO  70          2HG       PRO  70   1.490   4.099 -10.240
  537   1HD   PRO  70          1HD       PRO  70   3.788   5.246  -9.387
  538   2HD   PRO  70          2HD       PRO  70   3.051   5.634 -10.954
  539    H    VAL  71           H        VAL  71   2.958   6.706  -7.225
  540    HA   VAL  71           HA       VAL  71   1.200   6.743  -4.948
  541    HB   VAL  71           HB       VAL  71   4.219   6.694  -4.956
  542   1HG1  VAL  71          1HG1      VAL  71   3.303   7.229  -2.796
  543   2HG1  VAL  71          2HG1      VAL  71   3.916   5.575  -2.770
  544   3HG1  VAL  71          3HG1      VAL  71   2.181   5.873  -2.894
  545   1HG2  VAL  71          1HG2      VAL  71   2.287   4.380  -5.019
  546   2HG2  VAL  71          2HG2      VAL  71   4.033   4.256  -4.821
  547   3HG2  VAL  71          3HG2      VAL  71   3.359   4.873  -6.328
  548    H    TYR  72           H        TYR  72   3.845   8.810  -6.135
  549    HA   TYR  72           HA       TYR  72   3.696  10.697  -4.045
  550   1HB   TYR  72          1HB       TYR  72   4.540  11.248  -6.894
  551   2HB   TYR  72          2HB       TYR  72   5.007  12.144  -5.458
  552    HD1  TYR  72           1HD      TYR  72   6.555  10.428  -7.754
  553    HD2  TYR  72           2HD      TYR  72   5.712   9.956  -3.612
  554    HE1  TYR  72           1HE      TYR  72   8.537   8.994  -7.519
  555    HE2  TYR  72           2HE      TYR  72   7.694   8.523  -3.364
  556    HH   TYR  72           HH       TYR  72   9.127   7.106  -4.754
  557    H    LYS  73           H        LYS  73   1.802  10.200  -6.904
  558    HA   LYS  73           HA       LYS  73   0.635  12.813  -6.973
  559   1HB   LYS  73          1HB       LYS  73  -0.107  10.228  -8.338
  560   2HB   LYS  73          2HB       LYS  73  -0.946  11.750  -8.610
  561   1HG   LYS  73          1HG       LYS  73   2.003  11.364  -9.063
  562   2HG   LYS  73          2HG       LYS  73   0.777  11.180 -10.319
  563   1HD   LYS  73          1HD       LYS  73   0.488  13.402 -10.532
  564   2HD   LYS  73          2HD       LYS  73   0.593  13.679  -8.792
  565   1HE   LYS  73          1HE       LYS  73   2.427  14.736 -10.099
  566   2HE   LYS  73          2HE       LYS  73   2.985  13.612  -8.861
  567   1HZ   LYS  73          1HZ       LYS  73   4.176  13.322 -10.947
  568   2HZ   LYS  73          2HZ       LYS  73   2.727  12.997 -11.756
  569   3HZ   LYS  73          3HZ       LYS  73   3.286  11.934 -10.567
  570    H    MET  74           H        MET  74  -0.188   9.781  -5.412
  571    HA   MET  74           HA       MET  74  -2.863  10.702  -4.797
  572   1HB   MET  74          1HB       MET  74  -3.042   8.552  -3.537
  573   2HB   MET  74          2HB       MET  74  -2.675   8.361  -5.244
  574   1HG   MET  74          1HG       MET  74  -0.304   8.058  -4.654
  575   2HG   MET  74          2HG       MET  74  -0.749   8.127  -2.950
  576   1HE   MET  74          1HE       MET  74  -3.076   4.961  -2.649
  577   2HE   MET  74          2HE       MET  74  -3.637   6.553  -3.162
  578   3HE   MET  74          3HE       MET  74  -2.475   6.411  -1.844
  579    H    ILE  75           H        ILE  75   0.177  10.063  -3.097
  580    HA   ILE  75           HA       ILE  75  -0.584  10.573  -0.494
  581    HB   ILE  75           HB       ILE  75   2.008  11.339  -1.849
  582   1HG1  ILE  75          1HG1      ILE  75   1.412   8.946  -0.105
  583   2HG1  ILE  75          2HG1      ILE  75   1.314   8.904  -1.862
  584   1HG2  ILE  75          1HG2      ILE  75   1.518  10.979   1.100
  585   2HG2  ILE  75          2HG2      ILE  75   1.569  12.547   0.295
  586   3HG2  ILE  75          3HG2      ILE  75   3.001  11.519   0.314
  587   1HD1  ILE  75          1HD1      ILE  75   3.431   8.017  -1.001
  588   2HD1  ILE  75          2HD1      ILE  75   3.783   9.590  -0.287
  589   3HD1  ILE  75          3HD1      ILE  75   3.663   9.423  -2.038
  590    H    GLU  76           H        GLU  76   0.036  12.806  -3.119
  591    HA   GLU  76           HA       GLU  76   0.264  15.204  -1.753
  592   1HB   GLU  76          1HB       GLU  76  -0.828  14.497  -4.452
  593   2HB   GLU  76          2HB       GLU  76  -0.904  16.156  -3.878
  594   1HG   GLU  76          1HG       GLU  76   1.490  16.241  -3.661
  595   2HG   GLU  76          2HG       GLU  76   1.627  14.535  -4.082
  596    H    VAL  77           H        VAL  77  -2.769  13.850  -3.091
  597    HA   VAL  77           HA       VAL  77  -4.342  15.775  -1.603
  598    HB   VAL  77           HB       VAL  77  -5.321  13.433  -3.241
  599   1HG1  VAL  77          1HG1      VAL  77  -6.698  15.962  -2.343
  600   2HG1  VAL  77          2HG1      VAL  77  -6.991  14.337  -1.723
  601   3HG1  VAL  77          3HG1      VAL  77  -7.395  14.729  -3.394
  602   1HG2  VAL  77          1HG2      VAL  77  -4.859  16.288  -4.100
  603   2HG2  VAL  77          2HG2      VAL  77  -5.598  15.021  -5.077
  604   3HG2  VAL  77          3HG2      VAL  77  -3.907  14.890  -4.598
  605    H    VAL  78           H        VAL  78  -3.268  12.528  -1.256
  606    HA   VAL  78           HA       VAL  78  -5.254  11.586   0.523
  607    HB   VAL  78           HB       VAL  78  -2.501  10.656  -0.245
  608   1HG1  VAL  78          1HG1      VAL  78  -2.664  10.203   2.168
  609   2HG1  VAL  78          2HG1      VAL  78  -2.712   8.719   1.221
  610   3HG1  VAL  78          3HG1      VAL  78  -4.198   9.374   1.906
  611   1HG2  VAL  78          1HG2      VAL  78  -4.359  10.186  -1.728
  612   2HG2  VAL  78          2HG2      VAL  78  -5.248   9.425  -0.409
  613   3HG2  VAL  78          3HG2      VAL  78  -3.759   8.694  -1.004
  614    H    HIS  79           H        HIS  79  -2.840  13.881   0.918
  615    HA   HIS  79           HA       HIS  79  -3.151  13.763   3.830
  616   1HB   HIS  79          1HB       HIS  79  -0.549  14.190   2.347
  617   2HB   HIS  79          2HB       HIS  79  -0.766  14.510   4.064
  618    HD1  HIS  79           1HD      HIS  79  -0.939  12.477   5.640
  619    HD2  HIS  79           2HD      HIS  79  -0.404  11.477   1.642
  620    HE1  HIS  79           1HE      HIS  79  -0.362  10.028   5.629
  621    HE2  HIS  79           2HE      HIS  79  -0.016   9.452   3.203
  622    H    ALA  80           H        ALA  80  -4.757  15.313   2.382
  623    HA   ALA  80           HA       ALA  80  -3.899  17.860   1.657
  624   1HB   ALA  80          1HB       ALA  80  -6.215  18.546   1.871
  625   2HB   ALA  80          2HB       ALA  80  -6.576  17.106   2.825
  626   3HB   ALA  80          3HB       ALA  80  -6.119  16.948   1.129
  627    H    GLY  81           H        GLY  81  -3.392  19.669   2.736
  628   1HA   GLY  81          1HA       GLY  81  -4.074  20.964   4.844
  629   2HA   GLY  81          2HA       GLY  81  -3.462  19.542   5.679
  630    H    ASN  82           H        ASN  82  -1.173  18.921   5.053
  631    HA   ASN  82           HA       ASN  82   0.450  21.371   4.895
  632   1HB   ASN  82          1HB       ASN  82   1.088  18.705   6.174
  633   2HB   ASN  82          2HB       ASN  82   2.199  20.066   6.081
  634   1HD2  ASN  82          1HD2      ASN  82   2.385  20.309   8.260
  635   2HD2  ASN  82          2HD2      ASN  82   1.107  20.900   9.254
  636    H    ALA  83           H        ALA  83   2.313  21.392   3.616
  637    HA   ALA  83           HA       ALA  83   2.136  19.765   1.246
  638   1HB   ALA  83          1HB       ALA  83   3.917  21.171   0.385
  639   2HB   ALA  83          2HB       ALA  83   4.164  21.870   1.985
  640   3HB   ALA  83          3HB       ALA  83   2.655  22.159   1.119
  641    H    ASP  84           H        ASP  84   4.302  19.994   4.033
  642    HA   ASP  84           HA       ASP  84   6.205  18.170   2.890
  643   1HB   ASP  84          1HB       ASP  84   7.378  18.284   4.957
  644   2HB   ASP  84          2HB       ASP  84   6.824  19.912   4.571
  645    H    ASP  85           H        ASP  85   3.400  17.924   4.972
  646    HA   ASP  85           HA       ASP  85   3.792  15.400   6.065
  647   1HB   ASP  85          1HB       ASP  85   1.323  16.893   5.218
  648   2HB   ASP  85          2HB       ASP  85   1.195  15.236   5.800
  649    H    ILE  86           H        ILE  86   3.271  16.402   2.857
  650    HA   ILE  86           HA       ILE  86   2.540  13.801   1.831
  651    HB   ILE  86           HB       ILE  86   3.270  16.393   0.436
  652   1HG1  ILE  86          1HG1      ILE  86   0.535  15.144   0.609
  653   2HG1  ILE  86          2HG1      ILE  86   1.123  16.257   1.842
  654   1HG2  ILE  86          1HG2      ILE  86   2.014  13.932  -0.766
  655   2HG2  ILE  86          2HG2      ILE  86   3.718  14.360  -0.918
  656   3HG2  ILE  86          3HG2      ILE  86   2.482  15.411  -1.605
  657   1HD1  ILE  86          1HD1      ILE  86   1.362  18.006   0.199
  658   2HD1  ILE  86          2HD1      ILE  86  -0.276  17.351   0.146
  659   3HD1  ILE  86          3HD1      ILE  86   0.898  16.896  -1.090
  660    H    GLN  87           H        GLN  87   5.212  16.108   1.481
  661    HA   GLN  87           HA       GLN  87   6.993  14.586   0.043
  662   1HB   GLN  87          1HB       GLN  87   7.678  16.575   2.201
  663   2HB   GLN  87          2HB       GLN  87   8.738  16.054   0.900
  664   1HG   GLN  87          1HG       GLN  87   6.251  17.712   0.714
  665   2HG   GLN  87          2HG       GLN  87   7.900  18.174   0.304
  666   1HE2  GLN  87          1HE2      GLN  87   8.817  17.414  -1.610
  667   2HE2  GLN  87          2HE2      GLN  87   7.852  16.784  -2.897
  668    H    LEU  88           H        LEU  88   6.133  14.314   3.376
  669    HA   LEU  88           HA       LEU  88   8.451  12.902   4.236
  670   1HB   LEU  88          1HB       LEU  88   7.088  14.066   5.850
  671   2HB   LEU  88          2HB       LEU  88   5.675  13.130   5.402
  672    HG   LEU  88           HG       LEU  88   6.787  11.096   6.288
  673   1HD1  LEU  88          1HD1      LEU  88   8.775  11.337   7.685
  674   2HD1  LEU  88          2HD1      LEU  88   8.881  13.042   7.245
  675   3HD1  LEU  88          3HD1      LEU  88   9.104  11.796   6.015
  676   1HD2  LEU  88          1HD2      LEU  88   6.536  11.679   8.653
  677   2HD2  LEU  88          2HD2      LEU  88   5.229  12.346   7.675
  678   3HD2  LEU  88          3HD2      LEU  88   6.539  13.391   8.228
  679    H    VAL  89           H        VAL  89   5.186  11.927   3.253
  680    HA   VAL  89           HA       VAL  89   5.622   9.144   3.592
  681    HB   VAL  89           HB       VAL  89   3.597  10.499   1.814
  682   1HG1  VAL  89          1HG1      VAL  89   2.300   8.434   2.153
  683   2HG1  VAL  89          2HG1      VAL  89   3.662   7.746   3.037
  684   3HG1  VAL  89          3HG1      VAL  89   3.830   8.138   1.326
  685   1HG2  VAL  89          1HG2      VAL  89   3.408   9.711   4.718
  686   2HG2  VAL  89          2HG2      VAL  89   2.065  10.286   3.729
  687   3HG2  VAL  89          3HG2      VAL  89   3.426  11.354   4.076
  688    H    LYS  90           H        LYS  90   5.831  11.311   0.789
  689    HA   LYS  90           HA       LYS  90   6.207   9.448  -1.214
  690   1HB   LYS  90          1HB       LYS  90   7.743  12.025  -1.194
  691   2HB   LYS  90          2HB       LYS  90   6.934  11.227  -2.524
  692   1HG   LYS  90          1HG       LYS  90   4.863  11.772  -0.877
  693   2HG   LYS  90          2HG       LYS  90   5.908  13.162  -0.636
  694   1HD   LYS  90          1HD       LYS  90   4.974  12.118  -3.302
  695   2HD   LYS  90          2HD       LYS  90   4.274  13.481  -2.432
  696   1HE   LYS  90          1HE       LYS  90   6.412  14.629  -2.505
  697   2HE   LYS  90          2HE       LYS  90   7.106  13.277  -3.393
  698   1HZ   LYS  90          1HZ       LYS  90   6.482  15.080  -4.878
  699   2HZ   LYS  90          2HZ       LYS  90   4.882  15.004  -4.338
  700   3HZ   LYS  90          3HZ       LYS  90   5.546  13.705  -5.191
  701    H    GLY  91           H        GLY  91   8.365  10.515   1.284
  702   1HA   GLY  91          1HA       GLY  91  10.712   9.349   0.025
  703   2HA   GLY  91          2HA       GLY  91  10.653  10.149   1.589
  704    H    ILE  92           H        ILE  92   8.285   8.432   2.330
  705    HA   ILE  92           HA       ILE  92   9.684   6.431   3.721
  706    HB   ILE  92           HB       ILE  92   6.734   6.553   3.069
  707   1HG1  ILE  92          1HG1      ILE  92   7.442   8.513   4.315
  708   2HG1  ILE  92          2HG1      ILE  92   6.520   7.451   5.372
  709   1HG2  ILE  92          1HG2      ILE  92   6.483   5.068   5.041
  710   2HG2  ILE  92          2HG2      ILE  92   8.237   4.890   5.081
  711   3HG2  ILE  92          3HG2      ILE  92   7.325   4.312   3.687
  712   1HD1  ILE  92          1HD1      ILE  92   8.614   6.624   6.343
  713   2HD1  ILE  92          2HD1      ILE  92   8.424   8.368   6.539
  714   3HD1  ILE  92          3HD1      ILE  92   9.516   7.732   5.308
  715    H    ALA  93           H        ALA  93   7.864   6.366   0.699
  716    HA   ALA  93           HA       ALA  93   7.870   3.603   0.262
  717   1HB   ALA  93          1HB       ALA  93   6.493   5.169  -1.020
  718   2HB   ALA  93          2HB       ALA  93   7.456   4.138  -2.079
  719   3HB   ALA  93          3HB       ALA  93   7.942   5.810  -1.794
  720    H    ASN  94           H        ASN  94  10.344   6.015  -0.197
  721    HA   ASN  94           HA       ASN  94  12.039   4.672  -1.962
  722   1HB   ASN  94          1HB       ASN  94  12.355   7.018  -1.391
  723   2HB   ASN  94          2HB       ASN  94  12.731   6.588   0.274
  724   1HD2  ASN  94          1HD2      ASN  94  14.721   5.723   0.769
  725   2HD2  ASN  94          2HD2      ASN  94  16.047   5.747  -0.336
  726    H    GLU  95           H        GLU  95  11.367   4.089   1.373
  727    HA   GLU  95           HA       GLU  95  13.771   2.587   1.887
  728   1HB   GLU  95          1HB       GLU  95  12.278   3.867   3.583
  729   2HB   GLU  95          2HB       GLU  95  11.267   2.427   3.549
  730   1HG   GLU  95          1HG       GLU  95  14.196   2.447   4.245
  731   2HG   GLU  95          2HG       GLU  95  12.881   2.479   5.418
  732    H    CYS  96           H        CYS  96  10.422   1.894   1.069
  733    HA   CYS  96           HA       CYS  96  10.651  -0.945   1.343
  734   1HB   CYS  96          1HB       CYS  96   8.589   0.846   0.061
  735   2HB   CYS  96          2HB       CYS  96   8.458  -0.909   0.076
  736    H    ILE  97           H        ILE  97  10.960   1.326  -1.347
  737    HA   ILE  97           HA       ILE  97  10.887  -0.462  -3.479
  738    HB   ILE  97           HB       ILE  97  12.514   2.070  -3.202
  739   1HG1  ILE  97          1HG1      ILE  97   9.889   1.631  -4.633
  740   2HG1  ILE  97          2HG1      ILE  97   9.995   2.208  -2.973
  741   1HG2  ILE  97          1HG2      ILE  97  13.436   0.717  -4.982
  742   2HG2  ILE  97          2HG2      ILE  97  12.551   2.076  -5.673
  743   3HG2  ILE  97          3HG2      ILE  97  11.829   0.466  -5.664
  744   1HD1  ILE  97          1HD1      ILE  97  11.260   4.157  -3.744
  745   2HD1  ILE  97          2HD1      ILE  97   9.672   4.049  -4.505
  746   3HD1  ILE  97          3HD1      ILE  97  11.114   3.579  -5.405
  747    H    GLU  98           H        GLU  98  13.381   0.127  -1.133
  748    HA   GLU  98           HA       GLU  98  15.452  -1.188  -2.644
  749   1HB   GLU  98          1HB       GLU  98  15.380  -0.373   0.267
  750   2HB   GLU  98          2HB       GLU  98  16.804  -0.912  -0.611
  751   1HG   GLU  98          1HG       GLU  98  15.204   1.565  -1.210
  752   2HG   GLU  98          2HG       GLU  98  16.750   1.511  -0.365
  753    H    ASN  99           H        ASN  99  13.637  -1.952   0.333
  754    HA   ASN  99           HA       ASN  99  14.714  -4.568   0.561
  755   1HB   ASN  99          1HB       ASN  99  12.910  -4.872   2.264
  756   2HB   ASN  99          2HB       ASN  99  13.923  -3.457   2.523
  757   1HD2  ASN  99          1HD2      ASN  99  11.069  -4.109   0.502
  758   2HD2  ASN  99          2HD2      ASN  99  10.148  -2.776   1.097
  759    H    ALA 100           H        ALA 100  12.238  -3.280  -1.401
  760    HA   ALA 100           HA       ALA 100  10.717  -5.723  -1.617
  761   1HB   ALA 100          1HB       ALA 100   9.409  -4.536  -3.289
  762   2HB   ALA 100          2HB       ALA 100  10.582  -3.220  -3.292
  763   3HB   ALA 100          3HB       ALA 100   9.624  -3.543  -1.847
  764    H    LYS 101           H        LYS 101  12.886  -3.881  -3.740
  765    HA   LYS 101           HA       LYS 101  14.155  -4.478  -5.523
  766   1HB   LYS 101          1HB       LYS 101  13.875  -7.111  -4.108
  767   2HB   LYS 101          2HB       LYS 101  14.810  -6.964  -5.589
  768   1HG   LYS 101          1HG       LYS 101  16.314  -5.414  -4.553
  769   2HG   LYS 101          2HG       LYS 101  15.311  -5.343  -3.104
  770   1HD   LYS 101          1HD       LYS 101  16.659  -7.843  -4.115
  771   2HD   LYS 101          2HD       LYS 101  17.334  -6.784  -2.878
  772   1HE   LYS 101          1HE       LYS 101  15.255  -7.158  -1.537
  773   2HE   LYS 101          2HE       LYS 101  14.765  -8.356  -2.736
  774   1HZ   LYS 101          1HZ       LYS 101  15.838  -9.393  -0.841
  775   2HZ   LYS 101          2HZ       LYS 101  17.235  -8.469  -1.088
  776   3HZ   LYS 101          3HZ       LYS 101  16.766  -9.618  -2.238
  777    H    GLY 102           H        GLY 102  14.205  -6.345  -7.372
  778   1HA   GLY 102          1HA       GLY 102  11.595  -6.107  -8.623
  779   2HA   GLY 102          2HA       GLY 102  13.084  -6.625  -9.402
  780    H    GLU 103           H        GLU 103  11.513  -7.845  -6.487
  781    HA   GLU 103           HA       GLU 103  11.926 -10.545  -7.072
  782   1HB   GLU 103          1HB       GLU 103   9.881  -9.215  -5.291
  783   2HB   GLU 103          2HB       GLU 103  10.165 -10.946  -5.319
  784   1HG   GLU 103          1HG       GLU 103  12.130  -8.808  -4.534
  785   2HG   GLU 103          2HG       GLU 103  11.333  -9.963  -3.466
  786    H    THR 104           H        THR 104  10.965 -11.907  -8.430
  787    HA   THR 104           HA       THR 104   8.832 -11.044 -10.117
  788    HB   THR 104           HB       THR 104  10.563 -12.543 -10.972
  789    HG1  THR 104           1HG      THR 104   8.484 -12.650 -11.933
  790   1HG2  THR 104          1HG2      THR 104  10.998 -13.844  -8.954
  791   2HG2  THR 104          2HG2      THR 104  10.599 -14.912 -10.301
  792   3HG2  THR 104          3HG2      THR 104   9.394 -14.569  -9.059
  793    H    ASP 105           H        ASP 105   9.026 -12.890  -7.180
  794    HA   ASP 105           HA       ASP 105   6.472 -14.144  -7.418
  795   1HB   ASP 105          1HB       ASP 105   8.233 -15.061  -5.969
  796   2HB   ASP 105          2HB       ASP 105   8.147 -13.628  -4.951
  797    H    GLU 106           H        GLU 106   4.508 -13.460  -6.804
  798    HA   GLU 106           HA       GLU 106   3.996 -10.715  -6.526
  799   1HB   GLU 106          1HB       GLU 106   2.394 -12.387  -7.430
  800   2HB   GLU 106          2HB       GLU 106   2.170 -13.009  -5.800
  801   1HG   GLU 106          1HG       GLU 106   1.278 -10.860  -5.087
  802   2HG   GLU 106          2HG       GLU 106   1.530 -10.211  -6.706
  803    H    CYS 107           H        CYS 107   3.440 -13.279  -4.094
  804    HA   CYS 107           HA       CYS 107   2.903 -11.522  -1.983
  805   1HB   CYS 107          1HB       CYS 107   3.772 -14.395  -2.072
  806   2HB   CYS 107          2HB       CYS 107   3.537 -13.559  -0.541
  807    H    ASN 108           H        ASN 108   5.843 -12.076  -3.520
  808    HA   ASN 108           HA       ASN 108   7.478 -11.594  -1.171
  809   1HB   ASN 108          1HB       ASN 108   8.181 -13.089  -3.101
  810   2HB   ASN 108          2HB       ASN 108   8.397 -11.618  -4.048
  811   1HD2  ASN 108          1HD2      ASN 108  10.341 -13.632  -3.205
  812   2HD2  ASN 108          2HD2      ASN 108  11.558 -12.778  -2.326
  813    H    ILE 109           H        ILE 109   6.857  -9.941  -4.269
  814    HA   ILE 109           HA       ILE 109   8.217  -7.594  -3.830
  815    HB   ILE 109           HB       ILE 109   6.014  -8.449  -5.554
  816   1HG1  ILE 109          1HG1      ILE 109   8.223  -6.432  -5.994
  817   2HG1  ILE 109          2HG1      ILE 109   8.401  -8.166  -6.218
  818   1HG2  ILE 109          1HG2      ILE 109   6.139  -5.558  -4.718
  819   2HG2  ILE 109          2HG2      ILE 109   4.757  -6.652  -4.633
  820   3HG2  ILE 109          3HG2      ILE 109   5.363  -6.116  -6.200
  821   1HD1  ILE 109          1HD1      ILE 109   8.050  -7.063  -8.337
  822   2HD1  ILE 109          2HD1      ILE 109   6.542  -6.365  -7.746
  823   3HD1  ILE 109          3HD1      ILE 109   6.683  -8.109  -7.958
  824    H    GLY 110           H        GLY 110   5.082  -8.585  -2.591
  825   1HA   GLY 110          1HA       GLY 110   4.496  -5.959  -1.519
  826   2HA   GLY 110          2HA       GLY 110   3.492  -7.387  -1.384
  827    H    ASN 111           H        ASN 111   5.077  -9.193  -0.058
  828    HA   ASN 111           HA       ASN 111   4.803  -8.403   2.591
  829   1HB   ASN 111          1HB       ASN 111   4.952 -10.725   2.152
  830   2HB   ASN 111          2HB       ASN 111   6.515 -10.557   1.357
  831   1HD2  ASN 111          1HD2      ASN 111   5.579  -8.999   4.377
  832   2HD2  ASN 111          2HD2      ASN 111   6.669  -9.890   5.371
  833    H    LYS 112           H        LYS 112   7.328  -7.756   0.354
  834    HA   LYS 112           HA       LYS 112   9.189  -6.894   2.407
  835   1HB   LYS 112          1HB       LYS 112   9.279  -6.904  -0.606
  836   2HB   LYS 112          2HB       LYS 112  10.527  -6.144   0.370
  837   1HG   LYS 112          1HG       LYS 112   9.746  -9.034   0.645
  838   2HG   LYS 112          2HG       LYS 112  11.033  -8.468  -0.421
  839   1HD   LYS 112          1HD       LYS 112  12.177  -7.475   1.514
  840   2HD   LYS 112          2HD       LYS 112  10.903  -8.089   2.570
  841   1HE   LYS 112          1HE       LYS 112  12.754  -9.753   0.864
  842   2HE   LYS 112          2HE       LYS 112  12.870  -9.540   2.611
  843   1HZ   LYS 112          1HZ       LYS 112  10.710 -10.596   2.847
  844   2HZ   LYS 112          2HZ       LYS 112  11.787 -11.622   2.041
  845   3HZ   LYS 112          3HZ       LYS 112  10.594 -10.796   1.171
  846    H    TYR 113           H        TYR 113   7.088  -5.513  -0.060
  847    HA   TYR 113           HA       TYR 113   7.832  -2.797   0.513
  848   1HB   TYR 113          1HB       TYR 113   7.002  -3.742  -1.722
  849   2HB   TYR 113          2HB       TYR 113   5.389  -3.685  -1.014
  850    HD1  TYR 113           1HD      TYR 113   4.410  -1.477  -0.365
  851    HD2  TYR 113           2HD      TYR 113   8.078  -1.775  -2.504
  852    HE1  TYR 113           1HE      TYR 113   4.225   0.891  -1.006
  853    HE2  TYR 113           2HE      TYR 113   7.903   0.591  -3.147
  854    HH   TYR 113           HH       TYR 113   6.146   2.304  -3.407
  855    H    THR 114           H        THR 114   4.661  -4.429   0.705
  856    HA   THR 114           HA       THR 114   3.260  -2.568   2.125
  857    HB   THR 114           HB       THR 114   1.765  -4.296   2.849
  858    HG1  THR 114           1HG      THR 114   2.380  -6.431   2.987
  859   1HG2  THR 114          1HG2      THR 114   1.337  -5.491   0.807
  860   2HG2  THR 114          2HG2      THR 114   2.993  -5.235   0.260
  861   3HG2  THR 114          3HG2      THR 114   1.891  -3.866   0.404
  862    H    ASP 115           H        ASP 115   5.309  -5.127   3.475
  863    HA   ASP 115           HA       ASP 115   4.974  -4.886   6.146
  864   1HB   ASP 115          1HB       ASP 115   6.571  -6.430   5.112
  865   2HB   ASP 115          2HB       ASP 115   7.634  -5.077   4.709
  866    H    CYS 116           H        CYS 116   7.683  -3.172   4.616
  867    HA   CYS 116           HA       CYS 116   8.161  -1.452   6.751
  868   1HB   CYS 116          1HB       CYS 116   9.258  -0.019   4.847
  869   2HB   CYS 116          2HB       CYS 116   9.934  -1.589   5.275
  870    H    TYR 117           H        TYR 117   5.944  -1.134   4.056
  871    HA   TYR 117           HA       TYR 117   5.438   1.601   4.168
  872   1HB   TYR 117          1HB       TYR 117   4.459  -0.500   2.701
  873   2HB   TYR 117          2HB       TYR 117   3.062  -0.064   3.678
  874    HD1  TYR 117           1HD      TYR 117   1.645   0.860   2.012
  875    HD2  TYR 117           2HD      TYR 117   5.647   2.260   2.388
  876    HE1  TYR 117           1HE      TYR 117   1.138   2.703   0.467
  877    HE2  TYR 117           2HE      TYR 117   5.150   4.105   0.843
  878    HH   TYR 117           HH       TYR 117   3.531   4.619  -0.956
  879    H    ILE 118           H        ILE 118   4.136  -1.040   6.100
  880    HA   ILE 118           HA       ILE 118   2.355   0.700   7.584
  881    HB   ILE 118           HB       ILE 118   3.128  -2.165   8.170
  882   1HG1  ILE 118          1HG1      ILE 118   0.728  -1.110   6.655
  883   2HG1  ILE 118          2HG1      ILE 118   2.132  -1.867   5.909
  884   1HG2  ILE 118          1HG2      ILE 118   2.163  -1.023  10.082
  885   2HG2  ILE 118          2HG2      ILE 118   1.018  -2.199   9.438
  886   3HG2  ILE 118          3HG2      ILE 118   0.802  -0.482   9.099
  887   1HD1  ILE 118          1HD1      ILE 118   0.229  -3.179   7.836
  888   2HD1  ILE 118          2HD1      ILE 118   1.639  -3.941   7.102
  889   3HD1  ILE 118          3HD1      ILE 118   0.288  -3.426   6.092
  890    H    GLU 119           H        GLU 119   5.620  -0.328   7.749
  891    HA   GLU 119           HA       GLU 119   5.986  -0.105  10.563
  892   1HB   GLU 119          1HB       GLU 119   7.519  -1.394   9.154
  893   2HB   GLU 119          2HB       GLU 119   7.999   0.073   8.313
  894   1HG   GLU 119          1HG       GLU 119   9.670  -0.589   9.940
  895   2HG   GLU 119          2HG       GLU 119   8.946   0.959  10.376
  896    H    LYS 120           H        LYS 120   7.079   2.030   7.907
  897    HA   LYS 120           HA       LYS 120   7.504   4.188   9.796
  898   1HB   LYS 120          1HB       LYS 120   7.905   4.016   6.813
  899   2HB   LYS 120          2HB       LYS 120   8.314   5.420   7.790
  900   1HG   LYS 120          1HG       LYS 120   9.860   3.976   9.102
  901   2HG   LYS 120          2HG       LYS 120   9.533   2.674   7.956
  902   1HD   LYS 120          1HD       LYS 120  10.398   4.027   6.136
  903   2HD   LYS 120          2HD       LYS 120  10.652   5.382   7.237
  904   1HE   LYS 120          1HE       LYS 120  12.017   2.695   7.376
  905   2HE   LYS 120          2HE       LYS 120  12.740   4.198   6.804
  906   1HZ   LYS 120          1HZ       LYS 120  13.376   3.736   9.082
  907   2HZ   LYS 120          2HZ       LYS 120  11.754   3.689   9.558
  908   3HZ   LYS 120          3HZ       LYS 120  12.431   5.139   9.013
  909    H    LEU 121           H        LEU 121   5.521   3.663   6.887
  910    HA   LEU 121           HA       LEU 121   4.106   6.147   7.330
  911   1HB   LEU 121          1HB       LEU 121   4.651   5.569   5.069
  912   2HB   LEU 121          2HB       LEU 121   3.862   4.014   5.222
  913    HG   LEU 121           HG       LEU 121   1.688   5.132   5.419
  914   1HD1  LEU 121          1HD1      LEU 121   3.281   7.647   4.952
  915   2HD1  LEU 121          2HD1      LEU 121   2.363   7.231   6.400
  916   3HD1  LEU 121          3HD1      LEU 121   1.523   7.534   4.880
  917   1HD2  LEU 121          1HD2      LEU 121   3.317   5.879   2.998
  918   2HD2  LEU 121          2HD2      LEU 121   1.557   5.929   3.084
  919   3HD2  LEU 121          3HD2      LEU 121   2.406   4.391   3.244
  920    H    PHE 122           H        PHE 122   3.719   2.947   8.411
  921    HA   PHE 122           HA       PHE 122   2.051   1.922   9.573
  922   1HB   PHE 122          1HB       PHE 122   1.701   3.697  11.004
  923   2HB   PHE 122          2HB       PHE 122   1.269   4.800   9.709
  924    HD1  PHE 122           1HD      PHE 122  -0.017   1.707  11.344
  925    HD2  PHE 122           2HD      PHE 122  -0.920   5.471   9.579
  926    HE1  PHE 122           1HE      PHE 122  -2.391   1.388  11.900
  927    HE2  PHE 122           2HE      PHE 122  -3.290   5.169  10.137
  928    HZ   PHE 122           HZ       PHE 122  -4.041   3.142  11.283
  929    H    SER 123           H        SER 123   1.693   3.202   6.544
  930    HA   SER 123           HA       SER 123  -0.379   1.340   5.865
  931   1HB   SER 123          1HB       SER 123  -0.944   4.304   5.616
  932   2HB   SER 123          2HB       SER 123  -1.928   3.025   4.901
  933    HG   SER 123           HG       SER 123  -2.792   2.651   6.783
  934   1H4   TSD 124          1H4       TSP 124  -5.489   1.534   4.983
  935   2H4   TSD 124          2H4       TSP 124  -4.582   2.541   3.879
  936   3H4   TSD 124          3H4       TSP 124  -3.815   1.911   5.318
  937   1H5   TSD 124          1H5       TSP 124  -4.191  -1.958   4.630
  938   2H5   TSD 124          2H5       TSP 124  -5.433  -1.712   3.423
  939   3H5   TSD 124          3H5       TSP 124  -5.583  -0.965   4.997
  940   1H6   TSD 124          1H6       TSP 124  -1.971  -0.343   4.772
  941   2H6   TSD 124          2H6       TSP 124  -1.697   0.899   3.572
  942   3H6   TSD 124          3H6       TSP 124  -1.876  -0.769   3.079
  943   1D3   TSD 124          1D3       TSP 124  -3.818   1.279   1.483
  944   2D3   TSD 124          2D3       TSP 124  -4.120  -0.439   1.321
  945   1D2   TSD 124          1D2       TSP 124  -6.184   1.678   2.003
  946   2D2   TSD 124          2D2       TSP 124  -6.509  -0.052   1.926
  Start of MODEL    7
    1    HA   ILE   1           HA       ILE   1  -1.650  16.281  10.919
    2    HB   ILE   1           HB       ILE   1  -0.868  14.414   9.471
    3   1HG1  ILE   1          1HG1      ILE   1   1.691  13.888  10.071
    4   2HG1  ILE   1          2HG1      ILE   1   1.079  14.128  11.704
    5   1HG2  ILE   1          1HG2      ILE   1   1.193  16.525  10.093
    6   2HG2  ILE   1          2HG2      ILE   1  -0.199  16.710   9.026
    7   3HG2  ILE   1          3HG2      ILE   1   1.093  15.589   8.601
    8   1HD1  ILE   1          1HD1      ILE   1   1.049  11.781  11.058
    9   2HD1  ILE   1          2HD1      ILE   1  -0.005  12.166   9.697
   10   3HD1  ILE   1          3HD1      ILE   1  -0.580  12.389  11.349
   11    H    ASP   2           H        ASP   2  -3.269  14.707  10.419
   12    HA   ASP   2           HA       ASP   2  -3.822  12.937  12.691
   13   1HB   ASP   2          1HB       ASP   2  -5.652  13.992  10.523
   14   2HB   ASP   2          2HB       ASP   2  -6.154  12.940  11.842
   15    H    GLN   3           H        GLN   3  -4.075  10.771  12.474
   16    HA   GLN   3           HA       GLN   3  -2.945   9.471  10.232
   17   1HB   GLN   3          1HB       GLN   3  -4.654   8.295  12.430
   18   2HB   GLN   3          2HB       GLN   3  -3.607   7.395  11.340
   19   1HG   GLN   3          1HG       GLN   3  -1.708   8.822  12.268
   20   2HG   GLN   3          2HG       GLN   3  -2.838   9.281  13.539
   21   1HE2  GLN   3          1HE2      GLN   3  -4.133   6.652  13.557
   22   2HE2  GLN   3          2HE2      GLN   3  -3.029   5.586  14.348
   23    H    ASP   4           H        ASP   4  -5.956  10.846  10.635
   24    HA   ASP   4           HA       ASP   4  -7.637   9.006   9.305
   25   1HB   ASP   4          1HB       ASP   4  -7.846  12.017   9.527
   26   2HB   ASP   4          2HB       ASP   4  -9.132  10.956   8.960
   27    H    THR   5           H        THR   5  -5.714  11.751   8.158
   28    HA   THR   5           HA       THR   5  -6.483  11.831   5.499
   29    HB   THR   5           HB       THR   5  -4.870  13.394   6.704
   30    HG1  THR   5           1HG      THR   5  -5.240  13.655   4.505
   31   1HG2  THR   5          1HG2      THR   5  -3.298  11.636   7.458
   32   2HG2  THR   5          2HG2      THR   5  -2.503  12.906   6.529
   33   3HG2  THR   5          3HG2      THR   5  -2.849  11.347   5.777
   34    H    VAL   6           H        VAL   6  -4.590   9.474   7.167
   35    HA   VAL   6           HA       VAL   6  -3.578   8.283   4.721
   36    HB   VAL   6           HB       VAL   6  -3.343   7.382   7.596
   37   1HG1  VAL   6          1HG1      VAL   6  -1.992   6.325   5.114
   38   2HG1  VAL   6          2HG1      VAL   6  -3.190   5.481   6.096
   39   3HG1  VAL   6          3HG1      VAL   6  -1.604   5.855   6.768
   40   1HG2  VAL   6          1HG2      VAL   6  -1.363   8.738   5.769
   41   2HG2  VAL   6          2HG2      VAL   6  -1.026   8.155   7.400
   42   3HG2  VAL   6          3HG2      VAL   6  -2.175   9.469   7.152
   43    H    VAL   7           H        VAL   7  -5.413   6.987   7.489
   44    HA   VAL   7           HA       VAL   7  -6.286   4.672   6.164
   45    HB   VAL   7           HB       VAL   7  -7.581   6.045   8.519
   46   1HG1  VAL   7          1HG1      VAL   7  -9.023   4.362   7.520
   47   2HG1  VAL   7          2HG1      VAL   7  -8.410   3.803   9.076
   48   3HG1  VAL   7          3HG1      VAL   7  -7.714   3.183   7.579
   49   1HG2  VAL   7          1HG2      VAL   7  -5.409   3.954   8.438
   50   2HG2  VAL   7          2HG2      VAL   7  -6.209   4.548   9.894
   51   3HG2  VAL   7          3HG2      VAL   7  -5.217   5.639   8.924
   52    H    ALA   8           H        ALA   8  -8.253   7.497   7.097
   53    HA   ALA   8           HA       ALA   8 -10.589   6.769   5.817
   54   1HB   ALA   8          1HB       ALA   8 -10.393   8.610   7.431
   55   2HB   ALA   8          2HB       ALA   8 -11.254   9.087   5.967
   56   3HB   ALA   8          3HB       ALA   8  -9.577   9.581   6.204
   57    H    LYS   9           H        LYS   9  -7.691   8.130   4.376
   58    HA   LYS   9           HA       LYS   9  -9.121   8.766   1.921
   59   1HB   LYS   9          1HB       LYS   9  -6.664   9.591   3.116
   60   2HB   LYS   9          2HB       LYS   9  -6.334   8.962   1.508
   61   1HG   LYS   9          1HG       LYS   9  -8.393  11.070   2.116
   62   2HG   LYS   9          2HG       LYS   9  -6.746  11.406   1.581
   63   1HD   LYS   9          1HD       LYS   9  -7.205  10.020  -0.446
   64   2HD   LYS   9          2HD       LYS   9  -8.888   9.910   0.074
   65   1HE   LYS   9          1HE       LYS   9  -7.400  12.469  -0.506
   66   2HE   LYS   9          2HE       LYS   9  -8.526  11.675  -1.606
   67   1HZ   LYS   9          1HZ       LYS   9 -10.280  11.982   0.030
   68   2HZ   LYS   9          2HZ       LYS   9  -9.596  13.467  -0.402
   69   3HZ   LYS   9          3HZ       LYS   9  -9.199  12.752   1.079
   70    H    TYR  10           H        TYR  10  -6.274   6.749   2.713
   71    HA   TYR  10           HA       TYR  10  -6.065   5.440   0.298
   72   1HB   TYR  10          1HB       TYR  10  -5.364   4.637   3.097
   73   2HB   TYR  10          2HB       TYR  10  -5.176   3.480   1.783
   74    HD1  TYR  10           1HD      TYR  10  -4.059   4.803  -0.409
   75    HD2  TYR  10           2HD      TYR  10  -3.385   5.620   3.710
   76    HE1  TYR  10           1HE      TYR  10  -1.881   5.798  -0.969
   77    HE2  TYR  10           2HE      TYR  10  -1.206   6.620   3.162
   78    HH   TYR  10           HH       TYR  10  -0.295   7.433   0.016
   79    H    MET  11           H        MET  11  -8.490   5.109   2.694
   80    HA   MET  11           HA       MET  11  -9.411   2.531   1.773
   81   1HB   MET  11          1HB       MET  11 -10.329   4.511   3.828
   82   2HB   MET  11          2HB       MET  11 -11.425   3.246   3.295
   83   1HG   MET  11          1HG       MET  11  -9.749   1.561   3.945
   84   2HG   MET  11          2HG       MET  11  -8.713   2.856   4.543
   85   1HE   MET  11          1HE       MET  11 -10.085   1.018   7.774
   86   2HE   MET  11          2HE       MET  11  -8.636   1.461   6.872
   87   3HE   MET  11          3HE       MET  11  -9.756   0.270   6.212
   88    H    GLU  12           H        GLU  12 -10.905   5.769   1.912
   89    HA   GLU  12           HA       GLU  12 -13.020   5.195   0.160
   90   1HB   GLU  12          1HB       GLU  12 -13.035   7.118   1.667
   91   2HB   GLU  12          2HB       GLU  12 -11.694   7.840   0.785
   92   1HG   GLU  12          1HG       GLU  12 -13.161   7.913  -1.231
   93   2HG   GLU  12          2HG       GLU  12 -14.496   7.381  -0.210
   94    H    TYR  13           H        TYR  13  -9.971   6.906  -0.446
   95    HA   TYR  13           HA       TYR  13 -10.144   7.558  -3.068
   96   1HB   TYR  13          1HB       TYR  13  -8.191   7.812  -1.377
   97   2HB   TYR  13          2HB       TYR  13  -7.631   6.275  -2.025
   98    HD1  TYR  13           1HD      TYR  13  -7.543   9.798  -2.404
   99    HD2  TYR  13           2HD      TYR  13  -7.341   6.167  -4.613
  100    HE1  TYR  13           1HE      TYR  13  -6.450  10.990  -4.258
  101    HE2  TYR  13           2HE      TYR  13  -6.246   7.347  -6.466
  102    HH   TYR  13           HH       TYR  13  -4.979  10.478  -6.163
  103    H    LEU  14           H        LEU  14  -9.630   4.336  -1.752
  104    HA   LEU  14           HA       LEU  14 -10.159   3.215  -4.390
  105   1HB   LEU  14          1HB       LEU  14  -7.692   2.610  -2.773
  106   2HB   LEU  14          2HB       LEU  14  -8.261   1.587  -4.078
  107    HG   LEU  14           HG       LEU  14  -7.514   4.489  -4.420
  108   1HD1  LEU  14          1HD1      LEU  14  -5.588   3.109  -3.727
  109   2HD1  LEU  14          2HD1      LEU  14  -5.437   3.734  -5.370
  110   3HD1  LEU  14          3HD1      LEU  14  -5.887   2.050  -5.106
  111   1HD2  LEU  14          1HD2      LEU  14  -8.016   2.287  -6.418
  112   2HD2  LEU  14          2HD2      LEU  14  -7.490   3.926  -6.801
  113   3HD2  LEU  14          3HD2      LEU  14  -9.080   3.655  -6.088
  114    H    MET  15           H        MET  15 -12.092   3.069  -2.675
  115    HA   MET  15           HA       MET  15 -11.864   0.706  -1.014
  116   1HB   MET  15          1HB       MET  15 -13.068   2.518  -0.042
  117   2HB   MET  15          2HB       MET  15 -14.087   2.686  -1.459
  118   1HG   MET  15          1HG       MET  15 -15.345   1.650   0.285
  119   2HG   MET  15          2HG       MET  15 -15.045   0.470  -0.990
  120   1HE   MET  15          1HE       MET  15 -12.564   0.573   2.892
  121   2HE   MET  15          2HE       MET  15 -13.935   1.654   2.645
  122   3HE   MET  15          3HE       MET  15 -12.508   1.790   1.618
  123    HA   PRO  16           HA       PRO  16 -15.185  -0.864  -4.123
  124   1HB   PRO  16          1HB       PRO  16 -15.524   0.463  -6.460
  125   2HB   PRO  16          2HB       PRO  16 -16.440   0.851  -5.000
  126   1HG   PRO  16          1HG       PRO  16 -14.064   2.227  -6.169
  127   2HG   PRO  16          2HG       PRO  16 -15.505   2.925  -5.412
  128   1HD   PRO  16          1HD       PRO  16 -13.102   2.652  -4.144
  129   2HD   PRO  16          2HD       PRO  16 -14.657   2.677  -3.296
  130    H    ASP  17           H        ASP  17 -12.119   0.362  -4.935
  131    HA   ASP  17           HA       ASP  17 -11.736  -1.446  -7.186
  132   1HB   ASP  17          1HB       ASP  17  -9.816   0.495  -5.873
  133   2HB   ASP  17          2HB       ASP  17  -9.502  -0.412  -7.349
  134    H    ILE  18           H        ILE  18 -11.545  -1.510  -3.854
  135    HA   ILE  18           HA       ILE  18  -9.325  -3.381  -3.685
  136    HB   ILE  18           HB       ILE  18 -11.017  -1.913  -1.718
  137   1HG1  ILE  18          1HG1      ILE  18  -8.048  -2.482  -1.852
  138   2HG1  ILE  18          2HG1      ILE  18  -8.828  -1.059  -2.533
  139   1HG2  ILE  18          1HG2      ILE  18  -9.502  -4.441  -1.064
  140   2HG2  ILE  18          2HG2      ILE  18 -11.232  -4.156  -0.871
  141   3HG2  ILE  18          3HG2      ILE  18 -10.076  -3.282   0.134
  142   1HD1  ILE  18          1HD1      ILE  18  -8.727  -1.819   0.378
  143   2HD1  ILE  18          2HD1      ILE  18  -9.560  -0.410  -0.283
  144   3HD1  ILE  18          3HD1      ILE  18  -7.804  -0.538  -0.409
  145    H    MET  19           H        MET  19 -12.831  -3.395  -3.081
  146    HA   MET  19           HA       MET  19 -13.088  -5.987  -2.169
  147   1HB   MET  19          1HB       MET  19 -15.457  -5.861  -3.005
  148   2HB   MET  19          2HB       MET  19 -14.946  -4.569  -1.933
  149   1HG   MET  19          1HG       MET  19 -14.633  -3.101  -3.870
  150   2HG   MET  19          2HG       MET  19 -15.182  -4.400  -4.928
  151   1HE   MET  19          1HE       MET  19 -17.849  -2.312  -1.790
  152   2HE   MET  19          2HE       MET  19 -16.187  -1.833  -2.134
  153   3HE   MET  19          3HE       MET  19 -16.516  -3.384  -1.360
  154    HA   PRO  20           HA       PRO  20 -13.747  -7.329  -6.894
  155   1HB   PRO  20          1HB       PRO  20 -11.227  -6.042  -7.825
  156   2HB   PRO  20          2HB       PRO  20 -12.734  -6.327  -8.702
  157   1HG   PRO  20          1HG       PRO  20 -12.136  -3.893  -7.842
  158   2HG   PRO  20          2HG       PRO  20 -13.798  -4.504  -7.725
  159   1HD   PRO  20          1HD       PRO  20 -11.721  -4.237  -5.593
  160   2HD   PRO  20          2HD       PRO  20 -13.464  -3.930  -5.511
  161    H    CYS  21           H        CYS  21 -10.385  -6.711  -5.810
  162    HA   CYS  21           HA       CYS  21  -9.541  -9.334  -6.572
  163   1HB   CYS  21          1HB       CYS  21  -8.251  -7.022  -5.190
  164   2HB   CYS  21          2HB       CYS  21  -7.480  -8.605  -5.116
  165    H    ALA  22           H        ALA  22 -10.925  -7.992  -3.715
  166    HA   ALA  22           HA       ALA  22  -9.947  -9.672  -1.735
  167   1HB   ALA  22          1HB       ALA  22 -11.405  -7.770  -1.268
  168   2HB   ALA  22          2HB       ALA  22 -12.050  -9.246  -0.548
  169   3HB   ALA  22          3HB       ALA  22 -12.757  -8.607  -2.031
  170    H    ASP  23           H        ASP  23 -12.552 -10.217  -4.061
  171    HA   ASP  23           HA       ASP  23 -13.088 -12.868  -3.024
  172   1HB   ASP  23          1HB       ASP  23 -14.167 -11.464  -5.479
  173   2HB   ASP  23          2HB       ASP  23 -14.751 -12.995  -4.837
  174    H    GLU  24           H        GLU  24 -10.979 -11.417  -5.227
  175    HA   GLU  24           HA       GLU  24 -10.714 -13.388  -7.197
  176   1HB   GLU  24          1HB       GLU  24  -9.767 -11.049  -7.234
  177   2HB   GLU  24          2HB       GLU  24  -8.490 -11.629  -6.178
  178   1HG   GLU  24          1HG       GLU  24  -7.799 -13.237  -7.869
  179   2HG   GLU  24          2HG       GLU  24  -9.095 -12.686  -8.930
  180    H    LEU  25           H        LEU  25  -8.705 -12.890  -4.253
  181    HA   LEU  25           HA       LEU  25  -7.455 -15.484  -4.732
  182   1HB   LEU  25          1HB       LEU  25  -7.033 -13.699  -2.345
  183   2HB   LEU  25          2HB       LEU  25  -5.942 -14.910  -2.998
  184    HG   LEU  25           HG       LEU  25  -6.611 -12.254  -4.271
  185   1HD1  LEU  25          1HD1      LEU  25  -4.344 -11.645  -3.763
  186   2HD1  LEU  25          2HD1      LEU  25  -4.022 -13.247  -3.097
  187   3HD1  LEU  25          3HD1      LEU  25  -5.144 -12.161  -2.278
  188   1HD2  LEU  25          1HD2      LEU  25  -4.883 -12.823  -5.904
  189   2HD2  LEU  25          2HD2      LEU  25  -6.239 -13.950  -5.972
  190   3HD2  LEU  25          3HD2      LEU  25  -4.734 -14.426  -5.183
  191    H    HIS  26           H        HIS  26  -9.509 -13.937  -2.292
  192    HA   HIS  26           HA       HIS  26 -10.959 -16.212  -1.643
  193   1HB   HIS  26          1HB       HIS  26  -8.555 -16.776  -0.735
  194   2HB   HIS  26          2HB       HIS  26  -9.022 -15.716   0.590
  195    HD1  HIS  26           1HD      HIS  26  -9.497 -19.112  -0.750
  196    HD2  HIS  26           2HD      HIS  26 -11.240 -16.687   2.139
  197    HE1  HIS  26           1HE      HIS  26 -10.889 -20.653   0.669
  198    HE2  HIS  26           2HE      HIS  26 -11.886 -19.173   2.448
  199    H    ILE  27           H        ILE  27  -9.317 -13.726   0.233
  200    HA   ILE  27           HA       ILE  27 -11.831 -12.360   0.854
  201    HB   ILE  27           HB       ILE  27 -11.115 -12.276   3.277
  202   1HG1  ILE  27          1HG1      ILE  27  -9.074 -14.175   2.152
  203   2HG1  ILE  27          2HG1      ILE  27  -8.859 -12.841   3.282
  204   1HG2  ILE  27          1HG2      ILE  27 -12.924 -13.742   2.458
  205   2HG2  ILE  27          2HG2      ILE  27 -12.064 -14.440   3.831
  206   3HG2  ILE  27          3HG2      ILE  27 -11.743 -15.024   2.198
  207   1HD1  ILE  27          1HD1      ILE  27  -9.995 -14.184   5.023
  208   2HD1  ILE  27          2HD1      ILE  27  -8.496 -14.901   4.434
  209   3HD1  ILE  27          3HD1      ILE  27 -10.049 -15.535   3.890
  210    H    SER  28           H        SER  28 -11.399 -10.240   1.937
  211    HA   SER  28           HA       SER  28  -9.018  -9.015   0.823
  212   1HB   SER  28          1HB       SER  28 -10.530  -7.234   2.518
  213   2HB   SER  28          2HB       SER  28 -10.251  -7.144   0.778
  214    HG   SER  28           HG       SER  28 -12.208  -8.807   1.995
  215    H    GLU  29           H        GLU  29  -7.436  -7.932   2.031
  216    HA   GLU  29           HA       GLU  29  -6.504  -9.231   4.290
  217   1HB   GLU  29          1HB       GLU  29  -5.067  -7.159   4.586
  218   2HB   GLU  29          2HB       GLU  29  -4.948  -7.995   3.047
  219   1HG   GLU  29          1HG       GLU  29  -4.987  -5.692   2.576
  220   2HG   GLU  29          2HG       GLU  29  -6.570  -6.324   2.124
  221    H    ASP  30           H        ASP  30  -8.989  -6.898   4.074
  222    HA   ASP  30           HA       ASP  30  -8.763  -5.789   6.685
  223   1HB   ASP  30          1HB       ASP  30 -10.029  -4.657   4.915
  224   2HB   ASP  30          2HB       ASP  30 -11.170  -5.996   4.859
  225    H    ILE  31           H        ILE  31 -10.920  -8.262   5.314
  226    HA   ILE  31           HA       ILE  31 -11.759  -9.082   7.975
  227    HB   ILE  31           HB       ILE  31 -12.519 -10.321   5.327
  228   1HG1  ILE  31          1HG1      ILE  31 -14.008  -8.183   6.866
  229   2HG1  ILE  31          2HG1      ILE  31 -13.033  -7.875   5.433
  230   1HG2  ILE  31          1HG2      ILE  31 -14.511 -11.075   6.583
  231   2HG2  ILE  31          2HG2      ILE  31 -13.805 -10.406   8.054
  232   3HG2  ILE  31          3HG2      ILE  31 -13.006 -11.739   7.220
  233   1HD1  ILE  31          1HD1      ILE  31 -15.487  -9.609   5.562
  234   2HD1  ILE  31          2HD1      ILE  31 -14.508  -9.316   4.125
  235   3HD1  ILE  31          3HD1      ILE  31 -15.386  -7.987   4.880
  236    H    ALA  32           H        ALA  32  -9.223  -9.716   5.940
  237    HA   ALA  32           HA       ALA  32  -8.958 -12.533   6.252
  238   1HB   ALA  32          1HB       ALA  32  -6.850 -10.494   5.557
  239   2HB   ALA  32          2HB       ALA  32  -7.905 -11.314   4.405
  240   3HB   ALA  32          3HB       ALA  32  -6.728 -12.239   5.335
  241    H    THR  33           H        THR  33  -8.798 -10.153   8.499
  242    HA   THR  33           HA       THR  33  -6.507 -10.479   9.969
  243    HB   THR  33           HB       THR  33  -8.084  -8.817  10.638
  244    HG1  THR  33           1HG      THR  33  -8.188 -10.666  12.778
  245   1HG2  THR  33          1HG2      THR  33 -10.127 -10.112   9.983
  246   2HG2  THR  33          2HG2      THR  33 -10.263  -9.267  11.523
  247   3HG2  THR  33          3HG2      THR  33  -9.975 -11.005  11.496
  248    H    ASN  34           H        ASN  34  -9.484 -12.429  10.305
  249    HA   ASN  34           HA       ASN  34  -9.878 -14.375  11.456
  250   1HB   ASN  34          1HB       ASN  34  -8.715 -15.022   9.295
  251   2HB   ASN  34          2HB       ASN  34  -7.239 -15.196  10.239
  252   1HD2  ASN  34          1HD2      ASN  34 -10.428 -16.459   9.645
  253   2HD2  ASN  34          2HD2      ASN  34 -10.184 -17.983  10.420
  254    H    ILE  35           H        ILE  35  -8.725 -12.515  13.164
  255    HA   ILE  35           HA       ILE  35  -7.663 -12.296  15.165
  256    HB   ILE  35           HB       ILE  35  -7.643 -15.297  15.384
  257   1HG1  ILE  35          1HG1      ILE  35  -9.860 -14.704  14.561
  258   2HG1  ILE  35          2HG1      ILE  35  -9.957 -15.155  16.260
  259   1HG2  ILE  35          1HG2      ILE  35  -8.045 -14.809  17.761
  260   2HG2  ILE  35          2HG2      ILE  35  -8.005 -13.083  17.401
  261   3HG2  ILE  35          3HG2      ILE  35  -6.558 -14.067  17.170
  262   1HD1  ILE  35          1HD1      ILE  35  -9.963 -12.352  15.167
  263   2HD1  ILE  35          2HD1      ILE  35 -10.038 -12.790  16.872
  264   3HD1  ILE  35          3HD1      ILE  35 -11.354 -13.238  15.789
  265    H    GLN  36           H        GLN  36  -5.917 -11.999  13.208
  266    HA   GLN  36           HA       GLN  36  -3.474 -13.150  14.291
  267   1HB   GLN  36          1HB       GLN  36  -4.280 -13.417  11.387
  268   2HB   GLN  36          2HB       GLN  36  -2.651 -13.697  11.985
  269   1HG   GLN  36          1HG       GLN  36  -3.445 -15.524  13.368
  270   2HG   GLN  36          2HG       GLN  36  -5.101 -15.223  12.842
  271   1HE2  GLN  36          1HE2      GLN  36  -5.314 -17.292  11.995
  272   2HE2  GLN  36          2HE2      GLN  36  -4.529 -17.777  10.535
  273    H    ALA  37           H        ALA  37  -2.056 -11.566  14.552
  274    HA   ALA  37           HA       ALA  37  -2.541  -8.976  13.408
  275   1HB   ALA  37          1HB       ALA  37  -0.685  -8.227  14.765
  276   2HB   ALA  37          2HB       ALA  37  -0.249  -9.898  15.127
  277   3HB   ALA  37          3HB       ALA  37  -1.772  -9.237  15.720
  278    H    ALA  38           H        ALA  38   0.363 -11.043  13.431
  279    HA   ALA  38           HA       ALA  38   2.000 -11.397  11.903
  280   1HB   ALA  38          1HB       ALA  38   1.465 -11.336   9.553
  281   2HB   ALA  38          2HB       ALA  38   0.029 -10.363   9.870
  282   3HB   ALA  38          3HB       ALA  38   0.110 -12.028  10.446
  283    H    LYS  39           H        LYS  39   0.784  -8.765   9.916
  284    HA   LYS  39           HA       LYS  39   3.217  -7.266  10.584
  285   1HB   LYS  39          1HB       LYS  39   1.536  -7.483   8.134
  286   2HB   LYS  39          2HB       LYS  39   2.415  -5.987   8.414
  287   1HG   LYS  39          1HG       LYS  39   3.842  -8.606   8.566
  288   2HG   LYS  39          2HG       LYS  39   3.490  -7.875   7.000
  289   1HD   LYS  39          1HD       LYS  39   5.564  -6.988   7.419
  290   2HD   LYS  39          2HD       LYS  39   4.537  -5.740   8.121
  291   1HE   LYS  39          1HE       LYS  39   6.362  -6.258   9.625
  292   2HE   LYS  39          2HE       LYS  39   4.833  -6.773  10.335
  293   1HZ   LYS  39          1HZ       LYS  39   5.306  -9.034   9.674
  294   2HZ   LYS  39          2HZ       LYS  39   6.583  -8.435  10.608
  295   3HZ   LYS  39          3HZ       LYS  39   6.748  -8.555   8.929
  296    H    ASN  40           H        ASN  40  -0.143  -6.489   9.621
  297    HA   ASN  40           HA       ASN  40  -0.070  -4.288  11.574
  298   1HB   ASN  40          1HB       ASN  40  -1.639  -3.097   9.889
  299   2HB   ASN  40          2HB       ASN  40   0.095  -3.102   9.577
  300   1HD2  ASN  40          1HD2      ASN  40  -1.972  -5.892   9.137
  301   2HD2  ASN  40          2HD2      ASN  40  -1.862  -5.940   7.414
  302    H    GLY  41           H        GLY  41  -1.436  -7.150  10.985
  303   1HA   GLY  41          1HA       GLY  41  -3.207  -7.865  12.487
  304   2HA   GLY  41          2HA       GLY  41  -3.981  -6.314  12.221
  305    H    ALA  42           H        ALA  42  -2.899  -7.103   9.275
  306    HA   ALA  42           HA       ALA  42  -5.512  -8.023   8.420
  307   1HB   ALA  42          1HB       ALA  42  -3.042  -7.269   6.866
  308   2HB   ALA  42          2HB       ALA  42  -4.474  -6.275   7.137
  309   3HB   ALA  42          3HB       ALA  42  -4.584  -7.727   6.144
  310    H    ASP  43           H        ASP  43  -2.238  -9.094   7.485
  311    HA   ASP  43           HA       ASP  43  -2.589 -11.778   8.221
  312   1HB   ASP  43          1HB       ASP  43  -4.320 -11.605   6.388
  313   2HB   ASP  43          2HB       ASP  43  -2.989 -11.368   5.259
  314    H    MET  44           H        MET  44  -0.999  -9.455   6.111
  315    HA   MET  44           HA       MET  44   1.210  -9.135   5.644
  316   1HB   MET  44          1HB       MET  44   2.075  -9.721   7.702
  317   2HB   MET  44          2HB       MET  44   1.433 -11.353   7.639
  318   1HG   MET  44          1HG       MET  44   3.127 -12.022   6.078
  319   2HG   MET  44          2HG       MET  44   3.717 -10.367   5.949
  320   1HE   MET  44          1HE       MET  44   6.199 -11.507   6.447
  321   2HE   MET  44          2HE       MET  44   5.395 -13.064   6.627
  322   3HE   MET  44          3HE       MET  44   6.500 -12.493   7.876
  323    H    SER  45           H        SER  45   0.825 -12.696   5.730
  324    HA   SER  45           HA       SER  45   2.307 -13.168   3.411
  325   1HB   SER  45          1HB       SER  45   1.237 -15.397   3.396
  326   2HB   SER  45          2HB       SER  45   1.786 -14.946   5.010
  327    HG   SER  45           HG       SER  45  -0.482 -15.833   4.626
  328    H    GLN  46           H        GLN  46  -1.188 -12.695   3.853
  329    HA   GLN  46           HA       GLN  46  -1.620 -12.897   0.989
  330   1HB   GLN  46          1HB       GLN  46  -3.221 -13.763   2.824
  331   2HB   GLN  46          2HB       GLN  46  -3.713 -12.082   2.988
  332   1HG   GLN  46          1HG       GLN  46  -5.152 -13.477   1.494
  333   2HG   GLN  46          2HG       GLN  46  -4.518 -12.006   0.759
  334   1HE2  GLN  46          1HE2      GLN  46  -2.841 -12.176  -0.774
  335   2HE2  GLN  46          2HE2      GLN  46  -2.537 -13.652  -1.621
  336    H    LEU  47           H        LEU  47  -1.359 -10.458   3.462
  337    HA   LEU  47           HA       LEU  47  -2.479  -8.252   2.215
  338   1HB   LEU  47          1HB       LEU  47  -1.474  -8.472   4.561
  339   2HB   LEU  47          2HB       LEU  47   0.079  -8.186   3.813
  340    HG   LEU  47           HG       LEU  47  -0.781  -6.166   4.860
  341   1HD1  LEU  47          1HD1      LEU  47  -0.932  -5.806   1.881
  342   2HD1  LEU  47          2HD1      LEU  47   0.580  -6.057   2.752
  343   3HD1  LEU  47          3HD1      LEU  47  -0.412  -4.639   3.096
  344   1HD2  LEU  47          1HD2      LEU  47  -2.772  -5.052   3.982
  345   2HD2  LEU  47          2HD2      LEU  47  -3.144  -6.619   4.699
  346   3HD2  LEU  47          3HD2      LEU  47  -3.082  -6.446   2.948
  347    H    GLY  48           H        GLY  48   0.778  -9.592   1.904
  348   1HA   GLY  48          1HA       GLY  48   1.759  -7.592   0.159
  349   2HA   GLY  48          2HA       GLY  48   2.443  -9.199   0.378
  350    H    CYS  49           H        CYS  49  -0.778  -9.489  -0.455
  351    HA   CYS  49           HA       CYS  49  -0.212  -9.550  -3.328
  352   1HB   CYS  49          1HB       CYS  49  -1.158 -11.763  -1.590
  353   2HB   CYS  49          2HB       CYS  49  -1.816 -11.646  -3.215
  354    H    LEU  50           H        LEU  50  -2.968 -10.500  -1.327
  355    HA   LEU  50           HA       LEU  50  -5.005  -9.600  -2.903
  356   1HB   LEU  50          1HB       LEU  50  -5.032 -10.836  -0.637
  357   2HB   LEU  50          2HB       LEU  50  -5.051  -9.247   0.080
  358    HG   LEU  50           HG       LEU  50  -7.290 -10.205  -0.018
  359   1HD1  LEU  50          1HD1      LEU  50  -7.020  -7.908  -1.945
  360   2HD1  LEU  50          2HD1      LEU  50  -7.008  -7.765  -0.187
  361   3HD1  LEU  50          3HD1      LEU  50  -8.453  -8.346  -1.015
  362   1HD2  LEU  50          1HD2      LEU  50  -6.996 -11.621  -1.978
  363   2HD2  LEU  50          2HD2      LEU  50  -6.915 -10.190  -3.007
  364   3HD2  LEU  50          3HD2      LEU  50  -8.407 -10.578  -2.149
  365    H    LYS  51           H        LYS  51  -3.363  -7.786  -0.330
  366    HA   LYS  51           HA       LYS  51  -4.687  -5.338  -0.993
  367   1HB   LYS  51          1HB       LYS  51  -3.845  -5.858   1.291
  368   2HB   LYS  51          2HB       LYS  51  -2.202  -5.772   0.680
  369   1HG   LYS  51          1HG       LYS  51  -2.731  -3.718   1.786
  370   2HG   LYS  51          2HG       LYS  51  -2.596  -3.415   0.054
  371   1HD   LYS  51          1HD       LYS  51  -5.066  -3.560  -0.116
  372   2HD   LYS  51          2HD       LYS  51  -5.141  -3.730   1.640
  373   1HE   LYS  51          1HE       LYS  51  -5.565  -1.427   0.975
  374   2HE   LYS  51          2HE       LYS  51  -4.067  -1.548   1.898
  375   1HZ   LYS  51          1HZ       LYS  51  -2.835  -1.504  -0.193
  376   2HZ   LYS  51          2HZ       LYS  51  -3.784  -0.115  -0.013
  377   3HZ   LYS  51          3HZ       LYS  51  -4.279  -1.348  -1.059
  378    H    ALA  52           H        ALA  52  -1.885  -7.047  -2.083
  379    HA   ALA  52           HA       ALA  52  -0.426  -4.806  -3.103
  380   1HB   ALA  52          1HB       ALA  52  -0.294  -7.689  -3.989
  381   2HB   ALA  52          2HB       ALA  52   0.612  -7.002  -2.642
  382   3HB   ALA  52          3HB       ALA  52   0.912  -6.437  -4.286
  383    H    CYS  53           H        CYS  53  -3.183  -6.545  -4.125
  384    HA   CYS  53           HA       CYS  53  -3.063  -6.211  -6.902
  385   1HB   CYS  53          1HB       CYS  53  -4.733  -7.673  -6.190
  386   2HB   CYS  53          2HB       CYS  53  -5.296  -6.577  -4.932
  387    H    VAL  54           H        VAL  54  -4.036  -4.061  -4.320
  388    HA   VAL  54           HA       VAL  54  -5.272  -2.076  -5.908
  389    HB   VAL  54           HB       VAL  54  -3.857  -1.680  -3.267
  390   1HG1  VAL  54          1HG1      VAL  54  -4.378   0.402  -4.403
  391   2HG1  VAL  54          2HG1      VAL  54  -5.421   0.194  -2.996
  392   3HG1  VAL  54          3HG1      VAL  54  -6.052  -0.110  -4.613
  393   1HG2  VAL  54          1HG2      VAL  54  -6.686  -2.542  -3.854
  394   2HG2  VAL  54          2HG2      VAL  54  -6.116  -2.003  -2.274
  395   3HG2  VAL  54          3HG2      VAL  54  -5.445  -3.461  -3.004
  396    H    MET  55           H        MET  55  -1.963  -2.838  -5.200
  397    HA   MET  55           HA       MET  55  -0.829  -0.329  -5.886
  398   1HB   MET  55          1HB       MET  55   0.405  -3.089  -5.923
  399   2HB   MET  55          2HB       MET  55   1.297  -1.577  -6.035
  400   1HG   MET  55          1HG       MET  55   0.202  -1.003  -3.786
  401   2HG   MET  55          2HG       MET  55  -0.177  -2.722  -3.696
  402   1HE   MET  55          1HE       MET  55   2.459  -3.955  -5.195
  403   2HE   MET  55          2HE       MET  55   1.636  -4.624  -3.786
  404   3HE   MET  55          3HE       MET  55   3.378  -4.352  -3.743
  405    H    LYS  56           H        LYS  56  -1.138  -3.384  -7.700
  406    HA   LYS  56           HA       LYS  56  -0.166  -2.204 -10.122
  407   1HB   LYS  56          1HB       LYS  56  -1.077  -4.411 -11.108
  408   2HB   LYS  56          2HB       LYS  56   0.280  -4.486  -9.995
  409   1HG   LYS  56          1HG       LYS  56  -1.096  -5.239  -8.223
  410   2HG   LYS  56          2HG       LYS  56  -2.566  -4.888  -9.131
  411   1HD   LYS  56          1HD       LYS  56  -2.098  -6.645 -10.692
  412   2HD   LYS  56          2HD       LYS  56  -0.498  -6.903  -9.994
  413   1HE   LYS  56          1HE       LYS  56  -1.454  -7.721  -7.956
  414   2HE   LYS  56          2HE       LYS  56  -3.077  -7.284  -8.486
  415   1HZ   LYS  56          1HZ       LYS  56  -2.651  -9.654  -8.739
  416   2HZ   LYS  56          2HZ       LYS  56  -1.343  -9.332  -9.760
  417   3HZ   LYS  56          3HZ       LYS  56  -2.912  -8.926 -10.243
  418    H    ARG  57           H        ARG  57  -3.160  -2.267  -8.538
  419    HA   ARG  57           HA       ARG  57  -4.887  -2.172 -10.798
  420   1HB   ARG  57          1HB       ARG  57  -5.665  -2.773  -8.531
  421   2HB   ARG  57          2HB       ARG  57  -5.337  -1.132  -7.992
  422   1HG   ARG  57          1HG       ARG  57  -7.606  -1.082  -8.366
  423   2HG   ARG  57          2HG       ARG  57  -6.973  -0.452  -9.888
  424   1HD   ARG  57          1HD       ARG  57  -7.818  -3.302  -9.364
  425   2HD   ARG  57          2HD       ARG  57  -8.750  -2.100 -10.254
  426    HE   ARG  57           HE       ARG  57  -6.523  -2.120 -11.681
  427   1HH1  ARG  57          1HH1      ARG  57  -8.317  -4.789 -10.339
  428   2HH1  ARG  57          2HH1      ARG  57  -7.873  -5.890 -11.600
  429   1HH2  ARG  57          1HH2      ARG  57  -5.936  -3.564 -13.349
  430   2HH2  ARG  57          2HH2      ARG  57  -6.521  -5.193 -13.311
  431    H    ILE  58           H        ILE  58  -3.025   0.198  -9.041
  432    HA   ILE  58           HA       ILE  58  -4.230   2.356 -10.629
  433    HB   ILE  58           HB       ILE  58  -3.183   3.909  -9.039
  434   1HG1  ILE  58          1HG1      ILE  58  -2.393   1.428  -7.495
  435   2HG1  ILE  58          2HG1      ILE  58  -1.274   2.420  -8.424
  436   1HG2  ILE  58          1HG2      ILE  58  -4.634   3.414  -7.134
  437   2HG2  ILE  58          2HG2      ILE  58  -4.854   1.768  -7.727
  438   3HG2  ILE  58          3HG2      ILE  58  -5.464   3.132  -8.663
  439   1HD1  ILE  58          1HD1      ILE  58  -2.870   3.308  -6.032
  440   2HD1  ILE  58          2HD1      ILE  58  -1.776   4.323  -6.971
  441   3HD1  ILE  58          3HD1      ILE  58  -1.144   2.947  -6.068
  442    H    GLU  59           H        GLU  59  -2.199   0.399 -11.569
  443    HA   GLU  59           HA       GLU  59  -0.318   0.346 -12.840
  444   1HB   GLU  59          1HB       GLU  59  -1.051   3.257 -13.071
  445   2HB   GLU  59          2HB       GLU  59   0.318   2.567 -13.930
  446   1HG   GLU  59          1HG       GLU  59  -2.537   1.649 -14.190
  447   2HG   GLU  59          2HG       GLU  59  -1.701   2.717 -15.317
  448    H    MET  60           H        MET  60   0.554  -0.041 -10.506
  449    HA   MET  60           HA       MET  60   2.893   1.696 -10.223
  450   1HB   MET  60          1HB       MET  60   1.020   2.288  -8.563
  451   2HB   MET  60          2HB       MET  60   1.387   0.751  -7.791
  452   1HG   MET  60          1HG       MET  60   3.625   2.636  -8.300
  453   2HG   MET  60          2HG       MET  60   2.493   3.009  -7.004
  454   1HE   MET  60          1HE       MET  60   2.245   1.621  -4.789
  455   2HE   MET  60          2HE       MET  60   2.884  -0.012  -4.600
  456   3HE   MET  60          3HE       MET  60   1.644   0.317  -5.811
  457    H    LEU  61           H        LEU  61   1.520  -1.353 -10.388
  458    HA   LEU  61           HA       LEU  61   4.056  -2.595  -9.618
  459   1HB   LEU  61          1HB       LEU  61   2.680  -3.031  -7.745
  460   2HB   LEU  61          2HB       LEU  61   1.296  -3.413  -8.743
  461    HG   LEU  61           HG       LEU  61   2.553  -5.444  -9.549
  462   1HD1  LEU  61          1HD1      LEU  61   4.413  -6.230  -8.187
  463   2HD1  LEU  61          2HD1      LEU  61   4.381  -4.726  -7.266
  464   3HD1  LEU  61          3HD1      LEU  61   4.799  -4.703  -8.979
  465   1HD2  LEU  61          1HD2      LEU  61   2.000  -5.279  -6.590
  466   2HD2  LEU  61          2HD2      LEU  61   2.064  -6.750  -7.558
  467   3HD2  LEU  61          3HD2      LEU  61   0.794  -5.560  -7.846
  468    H    LYS  62           H        LYS  62   4.747  -3.074 -11.660
  469    HA   LYS  62           HA       LYS  62   2.907  -4.405 -13.495
  470   1HB   LYS  62          1HB       LYS  62   5.496  -2.984 -13.765
  471   2HB   LYS  62          2HB       LYS  62   5.203  -4.303 -14.890
  472   1HG   LYS  62          1HG       LYS  62   4.227  -2.720 -16.132
  473   2HG   LYS  62          2HG       LYS  62   2.854  -2.966 -15.054
  474   1HD   LYS  62          1HD       LYS  62   5.018  -0.980 -14.436
  475   2HD   LYS  62          2HD       LYS  62   3.641  -0.563 -15.456
  476   1HE   LYS  62          1HE       LYS  62   2.127  -1.217 -13.620
  477   2HE   LYS  62          2HE       LYS  62   3.531  -1.546 -12.607
  478   1HZ   LYS  62          1HZ       LYS  62   2.686   0.623 -12.113
  479   2HZ   LYS  62          2HZ       LYS  62   2.744   1.083 -13.740
  480   3HZ   LYS  62          3HZ       LYS  62   4.180   0.799 -12.889
  481    H    GLY  63           H        GLY  63   2.805  -6.307 -12.097
  482   1HA   GLY  63          1HA       GLY  63   3.289  -8.557 -11.887
  483   2HA   GLY  63          2HA       GLY  63   4.656  -8.324 -12.966
  484    H    THR  64           H        THR  64   6.356  -6.754 -11.804
  485    HA   THR  64           HA       THR  64   6.713  -7.441  -9.008
  486    HB   THR  64           HB       THR  64   8.995  -8.301  -9.337
  487    HG1  THR  64           1HG      THR  64   9.882  -8.421 -11.299
  488   1HG2  THR  64          1HG2      THR  64   8.431 -10.490 -10.219
  489   2HG2  THR  64          2HG2      THR  64   6.984  -9.838 -10.985
  490   3HG2  THR  64          3HG2      THR  64   7.104  -9.888  -9.227
  491    H    GLU  65           H        GLU  65   6.704  -5.181 -11.306
  492    HA   GLU  65           HA       GLU  65   9.063  -3.698 -10.440
  493   1HB   GLU  65          1HB       GLU  65   6.976  -2.950 -12.494
  494   2HB   GLU  65          2HB       GLU  65   8.532  -2.171 -12.246
  495   1HG   GLU  65          1HG       GLU  65   9.666  -4.240 -12.919
  496   2HG   GLU  65          2HG       GLU  65   8.096  -4.992 -13.201
  497    H    LEU  66           H        LEU  66   9.001  -2.023  -9.046
  498    HA   LEU  66           HA       LEU  66   6.344  -1.041  -8.231
  499   1HB   LEU  66          1HB       LEU  66   8.896  -1.363  -6.673
  500   2HB   LEU  66          2HB       LEU  66   7.577  -0.358  -6.103
  501    HG   LEU  66           HG       LEU  66   7.333  -3.309  -6.697
  502   1HD1  LEU  66          1HD1      LEU  66   7.670  -1.864  -4.072
  503   2HD1  LEU  66          2HD1      LEU  66   8.820  -2.972  -4.821
  504   3HD1  LEU  66          3HD1      LEU  66   7.263  -3.571  -4.249
  505   1HD2  LEU  66          1HD2      LEU  66   5.237  -2.082  -6.924
  506   2HD2  LEU  66          2HD2      LEU  66   5.467  -1.374  -5.326
  507   3HD2  LEU  66          3HD2      LEU  66   5.210  -3.112  -5.492
  508    H    TYR  67           H        TYR  67   5.908   0.895  -9.023
  509    HA   TYR  67           HA       TYR  67   8.111   2.792  -9.462
  510   1HB   TYR  67          1HB       TYR  67   5.346   2.641 -10.673
  511   2HB   TYR  67          2HB       TYR  67   6.461   3.977 -10.944
  512    HD1  TYR  67           1HD      TYR  67   5.835   0.408 -11.580
  513    HD2  TYR  67           2HD      TYR  67   8.344   3.739 -12.420
  514    HE1  TYR  67           1HE      TYR  67   6.854  -0.837 -13.439
  515    HE2  TYR  67           2HE      TYR  67   9.369   2.504 -14.282
  516    HH   TYR  67           HH       TYR  67   8.059  -0.358 -15.534
  517    H    VAL  68           H        VAL  68   7.172   5.179  -9.381
  518    HA   VAL  68           HA       VAL  68   5.536   5.491  -6.967
  519    HB   VAL  68           HB       VAL  68   7.101   7.459  -6.423
  520   1HG1  VAL  68          1HG1      VAL  68   6.896   5.419  -5.071
  521   2HG1  VAL  68          2HG1      VAL  68   8.548   6.036  -5.089
  522   3HG1  VAL  68          3HG1      VAL  68   8.116   4.643  -6.080
  523   1HG2  VAL  68          1HG2      VAL  68   8.352   7.449  -8.512
  524   2HG2  VAL  68          2HG2      VAL  68   8.937   5.822  -8.163
  525   3HG2  VAL  68          3HG2      VAL  68   9.423   7.172  -7.139
  526    H    GLU  69           H        GLU  69   5.062   5.862  -9.901
  527    HA   GLU  69           HA       GLU  69   4.888   8.706 -10.291
  528   1HB   GLU  69          1HB       GLU  69   3.733   6.441 -11.926
  529   2HB   GLU  69          2HB       GLU  69   3.766   8.131 -12.409
  530   1HG   GLU  69          1HG       GLU  69   6.212   8.087 -12.373
  531   2HG   GLU  69          2HG       GLU  69   6.167   6.387 -11.910
  532    HA   PRO  70           HA       PRO  70   0.180   7.909  -9.729
  533   1HB   PRO  70          1HB       PRO  70  -0.647   5.586  -8.626
  534   2HB   PRO  70          2HB       PRO  70  -0.399   5.780 -10.364
  535   1HG   PRO  70          1HG       PRO  70   1.380   4.510  -8.327
  536   2HG   PRO  70          2HG       PRO  70   1.012   3.986  -9.979
  537   1HD   PRO  70          1HD       PRO  70   3.302   5.302  -9.282
  538   2HD   PRO  70          2HD       PRO  70   2.579   5.372 -10.899
  539    H    VAL  71           H        VAL  71   2.161   6.307  -7.246
  540    HA   VAL  71           HA       VAL  71   0.543   7.003  -5.042
  541    HB   VAL  71           HB       VAL  71   3.534   6.648  -4.917
  542   1HG1  VAL  71          1HG1      VAL  71   3.165   5.927  -2.683
  543   2HG1  VAL  71          2HG1      VAL  71   1.418   5.882  -2.920
  544   3HG1  VAL  71          3HG1      VAL  71   2.265   7.428  -2.901
  545   1HG2  VAL  71          1HG2      VAL  71   1.403   4.518  -5.033
  546   2HG2  VAL  71          2HG2      VAL  71   3.085   4.236  -4.581
  547   3HG2  VAL  71          3HG2      VAL  71   2.691   4.796  -6.206
  548    H    TYR  72           H        TYR  72   3.385   8.595  -6.452
  549    HA   TYR  72           HA       TYR  72   3.542  10.687  -4.592
  550   1HB   TYR  72          1HB       TYR  72   4.459  10.379  -7.437
  551   2HB   TYR  72          2HB       TYR  72   4.654  11.910  -6.598
  552    HD1  TYR  72           1HD      TYR  72   7.098  11.620  -7.016
  553    HD2  TYR  72           2HD      TYR  72   4.916   8.935  -4.536
  554    HE1  TYR  72           1HE      TYR  72   9.205  10.822  -6.035
  555    HE2  TYR  72           2HE      TYR  72   7.017   8.133  -3.549
  556    HH   TYR  72           HH       TYR  72   9.373   8.029  -4.066
  557    H    LYS  73           H        LYS  73   1.327  10.085  -7.145
  558    HA   LYS  73           HA       LYS  73   0.480  12.827  -7.435
  559   1HB   LYS  73          1HB       LYS  73   0.392  11.204  -9.315
  560   2HB   LYS  73          2HB       LYS  73  -0.849  10.309  -8.447
  561   1HG   LYS  73          1HG       LYS  73  -1.958  11.654 -10.044
  562   2HG   LYS  73          2HG       LYS  73  -2.235  12.402  -8.470
  563   1HD   LYS  73          1HD       LYS  73  -0.203  13.861  -9.015
  564   2HD   LYS  73          2HD       LYS  73  -0.396  13.288 -10.673
  565   1HE   LYS  73          1HE       LYS  73  -2.426  14.788  -9.025
  566   2HE   LYS  73          2HE       LYS  73  -1.530  15.404 -10.412
  567   1HZ   LYS  73          1HZ       LYS  73  -2.647  13.770 -11.806
  568   2HZ   LYS  73          2HZ       LYS  73  -3.771  14.770 -11.033
  569   3HZ   LYS  73          3HZ       LYS  73  -3.515  13.195 -10.473
  570    H    MET  74           H        MET  74  -0.920   9.864  -5.993
  571    HA   MET  74           HA       MET  74  -3.245  11.256  -5.076
  572   1HB   MET  74          1HB       MET  74  -3.682   9.146  -3.788
  573   2HB   MET  74          2HB       MET  74  -3.521   8.937  -5.525
  574   1HG   MET  74          1HG       MET  74  -1.362   8.008  -5.303
  575   2HG   MET  74          2HG       MET  74  -1.261   8.468  -3.603
  576   1HE   MET  74          1HE       MET  74  -0.559   5.525  -4.565
  577   2HE   MET  74          2HE       MET  74  -1.388   4.583  -3.324
  578   3HE   MET  74          3HE       MET  74  -0.526   6.059  -2.885
  579    H    ILE  75           H        ILE  75  -0.154  10.340  -3.687
  580    HA   ILE  75           HA       ILE  75  -0.607  10.696  -0.999
  581    HB   ILE  75           HB       ILE  75   1.783  11.174  -2.735
  582   1HG1  ILE  75          1HG1      ILE  75   1.265   9.369  -0.362
  583   2HG1  ILE  75          2HG1      ILE  75   1.163   8.891  -2.054
  584   1HG2  ILE  75          1HG2      ILE  75   3.135  11.697  -0.725
  585   2HG2  ILE  75          2HG2      ILE  75   1.640  11.874   0.192
  586   3HG2  ILE  75          3HG2      ILE  75   1.986  12.964  -1.147
  587   1HD1  ILE  75          1HD1      ILE  75   3.541   9.303  -2.325
  588   2HD1  ILE  75          2HD1      ILE  75   3.245   8.158  -1.018
  589   3HD1  ILE  75          3HD1      ILE  75   3.652   9.832  -0.647
  590    H    GLU  76           H        GLU  76  -0.538  13.044  -3.526
  591    HA   GLU  76           HA       GLU  76  -0.016  15.386  -2.096
  592   1HB   GLU  76          1HB       GLU  76  -1.824  14.994  -4.487
  593   2HB   GLU  76          2HB       GLU  76  -1.240  16.549  -3.908
  594   1HG   GLU  76          1HG       GLU  76   1.086  15.732  -4.292
  595   2HG   GLU  76          2HG       GLU  76   0.396  14.295  -5.044
  596    H    VAL  77           H        VAL  77  -3.239  14.098  -2.989
  597    HA   VAL  77           HA       VAL  77  -4.505  15.870  -1.065
  598    HB   VAL  77           HB       VAL  77  -5.820  13.755  -2.772
  599   1HG1  VAL  77          1HG1      VAL  77  -7.186  14.559  -0.924
  600   2HG1  VAL  77          2HG1      VAL  77  -7.827  15.128  -2.466
  601   3HG1  VAL  77          3HG1      VAL  77  -6.915  16.226  -1.431
  602   1HG2  VAL  77          1HG2      VAL  77  -5.307  16.660  -3.404
  603   2HG2  VAL  77          2HG2      VAL  77  -6.322  15.575  -4.354
  604   3HG2  VAL  77          3HG2      VAL  77  -4.592  15.268  -4.215
  605    H    VAL  78           H        VAL  78  -3.495  12.596  -1.301
  606    HA   VAL  78           HA       VAL  78  -5.167  11.446   0.666
  607    HB   VAL  78           HB       VAL  78  -2.546  10.613  -0.575
  608   1HG1  VAL  78          1HG1      VAL  78  -4.091   9.115   1.547
  609   2HG1  VAL  78          2HG1      VAL  78  -2.452   9.749   1.690
  610   3HG1  VAL  78          3HG1      VAL  78  -2.793   8.434   0.567
  611   1HG2  VAL  78          1HG2      VAL  78  -3.928   8.837  -1.533
  612   2HG2  VAL  78          2HG2      VAL  78  -4.548  10.437  -1.941
  613   3HG2  VAL  78          3HG2      VAL  78  -5.337   9.480  -0.689
  614    H    HIS  79           H        HIS  79  -2.814  13.754   0.947
  615    HA   HIS  79           HA       HIS  79  -2.548  13.263   3.813
  616   1HB   HIS  79          1HB       HIS  79  -0.229  13.922   1.982
  617   2HB   HIS  79          2HB       HIS  79  -0.157  13.931   3.739
  618    HD1  HIS  79           1HD      HIS  79  -0.055  11.667   4.942
  619    HD2  HIS  79           2HD      HIS  79  -0.332  11.351   0.808
  620    HE1  HIS  79           1HE      HIS  79   0.428   9.255   4.418
  621    HE2  HIS  79           2HE      HIS  79   0.304   9.097   1.907
  622    H    ALA  80           H        ALA  80  -4.324  14.991   2.628
  623    HA   ALA  80           HA       ALA  80  -3.425  17.623   2.266
  624   1HB   ALA  80          1HB       ALA  80  -5.631  16.868   1.549
  625   2HB   ALA  80          2HB       ALA  80  -5.755  18.278   2.600
  626   3HB   ALA  80          3HB       ALA  80  -6.120  16.673   3.233
  627    H    GLY  81           H        GLY  81  -2.963  19.254   3.627
  628   1HA   GLY  81          1HA       GLY  81  -3.689  20.163   5.924
  629   2HA   GLY  81          2HA       GLY  81  -3.025  18.643   6.506
  630    H    ASN  82           H        ASN  82  -0.714  18.247   5.471
  631    HA   ASN  82           HA       ASN  82   0.821  20.731   5.890
  632   1HB   ASN  82          1HB       ASN  82   0.958  18.661   7.548
  633   2HB   ASN  82          2HB       ASN  82   2.062  18.053   6.323
  634   1HD2  ASN  82          1HD2      ASN  82   3.822  18.159   7.690
  635   2HD2  ASN  82          2HD2      ASN  82   4.551  19.659   8.143
  636    H    ALA  83           H        ALA  83   2.202  21.343   4.335
  637    HA   ALA  83           HA       ALA  83   2.171  20.055   1.810
  638   1HB   ALA  83          1HB       ALA  83   4.036  22.209   2.800
  639   2HB   ALA  83          2HB       ALA  83   2.452  22.481   2.074
  640   3HB   ALA  83          3HB       ALA  83   3.749  21.765   1.116
  641    H    ASP  84           H        ASP  84   4.301  19.885   4.568
  642    HA   ASP  84           HA       ASP  84   6.376  18.513   3.086
  643   1HB   ASP  84          1HB       ASP  84   6.166  18.826   6.083
  644   2HB   ASP  84          2HB       ASP  84   7.598  18.417   5.138
  645    H    ASP  85           H        ASP  85   3.540  17.676   4.885
  646    HA   ASP  85           HA       ASP  85   4.258  15.062   5.661
  647   1HB   ASP  85          1HB       ASP  85   2.167  16.360   6.370
  648   2HB   ASP  85          2HB       ASP  85   1.480  15.905   4.814
  649    H    ILE  86           H        ILE  86   3.457  16.543   2.692
  650    HA   ILE  86           HA       ILE  86   2.968  14.092   1.239
  651    HB   ILE  86           HB       ILE  86   3.321  16.950   0.303
  652   1HG1  ILE  86          1HG1      ILE  86   0.802  15.290   0.498
  653   2HG1  ILE  86          2HG1      ILE  86   1.307  16.457   1.715
  654   1HG2  ILE  86          1HG2      ILE  86   2.486  16.225  -1.848
  655   2HG2  ILE  86          2HG2      ILE  86   2.341  14.570  -1.262
  656   3HG2  ILE  86          3HG2      ILE  86   3.932  15.307  -1.428
  657   1HD1  ILE  86          1HD1      ILE  86  -0.369  17.397   0.239
  658   2HD1  ILE  86          2HD1      ILE  86   0.657  17.070  -1.158
  659   3HD1  ILE  86          3HD1      ILE  86   1.168  18.243   0.057
  660    H    GLN  87           H        GLN  87   5.564  16.307   1.924
  661    HA   GLN  87           HA       GLN  87   7.333  15.273  -0.096
  662   1HB   GLN  87          1HB       GLN  87   7.852  17.135   2.219
  663   2HB   GLN  87          2HB       GLN  87   9.010  16.760   0.951
  664   1HG   GLN  87          1HG       GLN  87   6.394  18.197   0.675
  665   2HG   GLN  87          2HG       GLN  87   8.009  18.868   0.480
  666   1HE2  GLN  87          1HE2      GLN  87   9.174  18.425  -1.386
  667   2HE2  GLN  87          2HE2      GLN  87   8.429  17.786  -2.809
  668    H    LEU  88           H        LEU  88   6.547  14.497   3.158
  669    HA   LEU  88           HA       LEU  88   9.039  13.134   3.703
  670   1HB   LEU  88          1HB       LEU  88   7.716  14.289   5.473
  671   2HB   LEU  88          2HB       LEU  88   6.462  13.080   5.269
  672    HG   LEU  88           HG       LEU  88   8.166  11.338   5.903
  673   1HD1  LEU  88          1HD1      LEU  88  10.151  12.106   7.115
  674   2HD1  LEU  88          2HD1      LEU  88   9.761  13.773   6.690
  675   3HD1  LEU  88          3HD1      LEU  88  10.179  12.614   5.427
  676   1HD2  LEU  88          1HD2      LEU  88   7.566  13.468   7.953
  677   2HD2  LEU  88          2HD2      LEU  88   7.986  11.787   8.288
  678   3HD2  LEU  88          3HD2      LEU  88   6.473  12.171   7.466
  679    H    VAL  89           H        VAL  89   5.637  12.088   3.588
  680    HA   VAL  89           HA       VAL  89   6.082   9.354   3.621
  681    HB   VAL  89           HB       VAL  89   3.842   9.092   2.710
  682   1HG1  VAL  89          1HG1      VAL  89   4.162   9.805   5.065
  683   2HG1  VAL  89          2HG1      VAL  89   2.624  10.322   4.381
  684   3HG1  VAL  89          3HG1      VAL  89   3.943  11.477   4.551
  685   1HG2  VAL  89          1HG2      VAL  89   2.558  11.092   2.004
  686   2HG2  VAL  89          2HG2      VAL  89   3.894  10.700   0.922
  687   3HG2  VAL  89          3HG2      VAL  89   4.051  12.029   2.070
  688    H    LYS  90           H        LYS  90   6.250  11.601   0.942
  689    HA   LYS  90           HA       LYS  90   6.139   9.822  -1.201
  690   1HB   LYS  90          1HB       LYS  90   6.764  12.555  -0.785
  691   2HB   LYS  90          2HB       LYS  90   8.061  11.868  -1.750
  692   1HG   LYS  90          1HG       LYS  90   6.738  11.542  -3.553
  693   2HG   LYS  90          2HG       LYS  90   5.310  11.198  -2.579
  694   1HD   LYS  90          1HD       LYS  90   4.819  13.446  -2.271
  695   2HD   LYS  90          2HD       LYS  90   6.456  13.954  -2.682
  696   1HE   LYS  90          1HE       LYS  90   6.065  13.286  -5.011
  697   2HE   LYS  90          2HE       LYS  90   4.423  12.803  -4.587
  698   1HZ   LYS  90          1HZ       LYS  90   5.523  15.555  -4.381
  699   2HZ   LYS  90          2HZ       LYS  90   3.947  15.093  -3.976
  700   3HZ   LYS  90          3HZ       LYS  90   4.468  15.000  -5.583
  701    H    GLY  91           H        GLY  91   8.873  10.830   0.807
  702   1HA   GLY  91          1HA       GLY  91  10.762   9.222  -0.666
  703   2HA   GLY  91          2HA       GLY  91  11.074  10.096   0.830
  704    H    ILE  92           H        ILE  92   8.552   8.701   1.901
  705    HA   ILE  92           HA       ILE  92   9.902   6.602   3.244
  706    HB   ILE  92           HB       ILE  92   6.989   7.315   3.085
  707   1HG1  ILE  92          1HG1      ILE  92   9.031   7.611   5.230
  708   2HG1  ILE  92          2HG1      ILE  92   8.375   8.909   4.260
  709   1HG2  ILE  92          1HG2      ILE  92   6.677   5.755   5.001
  710   2HG2  ILE  92          2HG2      ILE  92   8.298   5.140   4.682
  711   3HG2  ILE  92          3HG2      ILE  92   7.032   4.961   3.469
  712   1HD1  ILE  92          1HD1      ILE  92   6.916   7.243   6.295
  713   2HD1  ILE  92          2HD1      ILE  92   6.155   8.442   5.246
  714   3HD1  ILE  92          3HD1      ILE  92   7.362   8.945   6.431
  715    H    ALA  93           H        ALA  93   7.598   6.688   0.562
  716    HA   ALA  93           HA       ALA  93   7.161   3.936   0.309
  717   1HB   ALA  93          1HB       ALA  93   6.403   4.415  -1.942
  718   2HB   ALA  93          2HB       ALA  93   7.189   5.994  -1.895
  719   3HB   ALA  93          3HB       ALA  93   5.824   5.656  -0.830
  720    H    ASN  94           H        ASN  94   9.964   5.766  -0.311
  721    HA   ASN  94           HA       ASN  94  11.096   4.152  -2.372
  722   1HB   ASN  94          1HB       ASN  94  11.824   6.458  -2.014
  723   2HB   ASN  94          2HB       ASN  94  12.414   6.040  -0.410
  724   1HD2  ASN  94          1HD2      ASN  94  12.961   5.791  -3.822
  725   2HD2  ASN  94          2HD2      ASN  94  14.589   5.220  -3.725
  726    H    GLU  95           H        GLU  95  11.613   4.336   1.143
  727    HA   GLU  95           HA       GLU  95  13.566   2.349   1.345
  728   1HB   GLU  95          1HB       GLU  95  13.037   3.897   3.166
  729   2HB   GLU  95          2HB       GLU  95  11.455   3.153   3.358
  730   1HG   GLU  95          1HG       GLU  95  13.006   2.403   5.071
  731   2HG   GLU  95          2HG       GLU  95  12.495   1.068   4.039
  732    H    CYS  96           H        CYS  96  10.194   2.087   0.744
  733    HA   CYS  96           HA       CYS  96  10.002  -0.662   1.645
  734   1HB   CYS  96          1HB       CYS  96   7.976   0.941   0.078
  735   2HB   CYS  96          2HB       CYS  96   7.686  -0.526   1.007
  736    H    ILE  97           H        ILE  97  10.163   1.091  -1.423
  737    HA   ILE  97           HA       ILE  97   9.699  -1.171  -3.077
  738    HB   ILE  97           HB       ILE  97  11.002   1.481  -3.690
  739   1HG1  ILE  97          1HG1      ILE  97   8.254   0.418  -4.374
  740   2HG1  ILE  97          2HG1      ILE  97   8.597   1.509  -3.036
  741   1HG2  ILE  97          1HG2      ILE  97  11.824  -0.123  -5.279
  742   2HG2  ILE  97          2HG2      ILE  97  10.614   0.886  -6.071
  743   3HG2  ILE  97          3HG2      ILE  97  10.199  -0.747  -5.554
  744   1HD1  ILE  97          1HD1      ILE  97   7.719   2.726  -4.927
  745   2HD1  ILE  97          2HD1      ILE  97   9.000   2.095  -5.959
  746   3HD1  ILE  97          3HD1      ILE  97   9.394   3.188  -4.632
  747    H    GLU  98           H        GLU  98  12.645   0.420  -1.923
  748    HA   GLU  98           HA       GLU  98  14.467  -1.059  -3.469
  749   1HB   GLU  98          1HB       GLU  98  14.861   0.259  -0.780
  750   2HB   GLU  98          2HB       GLU  98  16.156  -0.318  -1.822
  751   1HG   GLU  98          1HG       GLU  98  14.189   1.869  -2.464
  752   2HG   GLU  98          2HG       GLU  98  15.886   2.077  -2.035
  753    H    ASN  99           H        ASN  99  12.638  -1.968  -0.696
  754    HA   ASN  99           HA       ASN  99  14.378  -4.298  -0.284
  755   1HB   ASN  99          1HB       ASN  99  13.878  -4.254   1.927
  756   2HB   ASN  99          2HB       ASN  99  13.561  -2.560   1.588
  757   1HD2  ASN  99          1HD2      ASN  99  11.456  -1.820   1.529
  758   2HD2  ASN  99          2HD2      ASN  99  10.134  -2.741   2.153
  759    H    ALA 100           H        ALA 100  11.491  -3.407  -1.741
  760    HA   ALA 100           HA       ALA 100  10.261  -6.035  -1.303
  761   1HB   ALA 100          1HB       ALA 100   9.126  -3.536  -2.548
  762   2HB   ALA 100          2HB       ALA 100   8.803  -4.143  -0.924
  763   3HB   ALA 100          3HB       ALA 100   8.254  -5.053  -2.332
  764    H    LYS 101           H        LYS 101  11.744  -4.062  -3.767
  765    HA   LYS 101           HA       LYS 101  10.864  -5.630  -5.989
  766   1HB   LYS 101          1HB       LYS 101  11.858  -4.058  -7.268
  767   2HB   LYS 101          2HB       LYS 101  11.898  -3.149  -5.764
  768   1HG   LYS 101          1HG       LYS 101  14.139  -4.849  -6.810
  769   2HG   LYS 101          2HG       LYS 101  14.030  -3.100  -6.994
  770   1HD   LYS 101          1HD       LYS 101  14.886  -2.789  -4.962
  771   2HD   LYS 101          2HD       LYS 101  13.656  -3.831  -4.242
  772   1HE   LYS 101          1HE       LYS 101  15.914  -4.658  -3.779
  773   2HE   LYS 101          2HE       LYS 101  14.996  -5.802  -4.758
  774   1HZ   LYS 101          1HZ       LYS 101  17.033  -3.888  -5.770
  775   2HZ   LYS 101          2HZ       LYS 101  16.142  -4.964  -6.723
  776   3HZ   LYS 101          3HZ       LYS 101  17.245  -5.556  -5.585
  777    H    GLY 102           H        GLY 102  12.862  -6.351  -7.527
  778   1HA   GLY 102          1HA       GLY 102  14.645  -7.782  -7.849
  779   2HA   GLY 102          2HA       GLY 102  15.012  -7.645  -6.136
  780    H    GLU 103           H        GLU 103  12.215  -8.467  -5.461
  781    HA   GLU 103           HA       GLU 103  12.714 -11.215  -5.144
  782   1HB   GLU 103          1HB       GLU 103  10.256  -9.519  -4.779
  783   2HB   GLU 103          2HB       GLU 103  10.239 -11.250  -4.469
  784   1HG   GLU 103          1HG       GLU 103  12.005  -9.227  -3.109
  785   2HG   GLU 103          2HG       GLU 103  10.560  -9.970  -2.426
  786    H    THR 104           H        THR 104  10.828 -12.820  -5.795
  787    HA   THR 104           HA       THR 104  10.293 -12.443  -8.668
  788    HB   THR 104           HB       THR 104  10.592 -14.861  -8.997
  789    HG1  THR 104           1HG      THR 104  10.816 -16.149  -7.332
  790   1HG2  THR 104          1HG2      THR 104  12.492 -13.392  -9.407
  791   2HG2  THR 104          2HG2      THR 104  13.040 -14.932  -8.745
  792   3HG2  THR 104          3HG2      THR 104  12.965 -13.505  -7.711
  793    H    ASP 105           H        ASP 105   9.069 -13.319  -5.576
  794    HA   ASP 105           HA       ASP 105   6.599 -14.372  -6.766
  795   1HB   ASP 105          1HB       ASP 105   7.618 -15.760  -5.022
  796   2HB   ASP 105          2HB       ASP 105   7.537 -14.413  -3.892
  797    H    GLU 106           H        GLU 106   4.639 -13.394  -6.488
  798    HA   GLU 106           HA       GLU 106   4.531 -10.631  -6.183
  799   1HB   GLU 106          1HB       GLU 106   2.811 -11.892  -7.359
  800   2HB   GLU 106          2HB       GLU 106   2.318 -12.663  -5.858
  801   1HG   GLU 106          1HG       GLU 106   0.791 -10.880  -6.521
  802   2HG   GLU 106          2HG       GLU 106   1.568 -10.540  -4.975
  803    H    CYS 107           H        CYS 107   3.067 -12.979  -3.922
  804    HA   CYS 107           HA       CYS 107   2.527 -11.250  -1.859
  805   1HB   CYS 107          1HB       CYS 107   3.251 -14.172  -1.826
  806   2HB   CYS 107          2HB       CYS 107   2.792 -13.306  -0.362
  807    H    ASN 108           H        ASN 108   5.614 -12.661  -2.718
  808    HA   ASN 108           HA       ASN 108   6.945 -12.038  -0.287
  809   1HB   ASN 108          1HB       ASN 108   7.936 -12.619  -3.075
  810   2HB   ASN 108          2HB       ASN 108   9.034 -12.240  -1.753
  811   1HD2  ASN 108          1HD2      ASN 108   9.994 -14.255  -1.822
  812   2HD2  ASN 108          2HD2      ASN 108   9.195 -15.682  -1.264
  813    H    ILE 109           H        ILE 109   6.517 -10.330  -3.345
  814    HA   ILE 109           HA       ILE 109   8.217  -8.141  -2.719
  815    HB   ILE 109           HB       ILE 109   5.911  -8.291  -4.669
  816   1HG1  ILE 109          1HG1      ILE 109   8.878  -8.509  -5.197
  817   2HG1  ILE 109          2HG1      ILE 109   7.810  -9.898  -5.027
  818   1HG2  ILE 109          1HG2      ILE 109   6.409  -5.987  -4.117
  819   2HG2  ILE 109          2HG2      ILE 109   6.972  -6.346  -5.749
  820   3HG2  ILE 109          3HG2      ILE 109   8.126  -6.260  -4.418
  821   1HD1  ILE 109          1HD1      ILE 109   8.228  -9.379  -7.360
  822   2HD1  ILE 109          2HD1      ILE 109   7.587  -7.753  -7.122
  823   3HD1  ILE 109          3HD1      ILE 109   6.526  -9.150  -6.957
  824    H    GLY 110           H        GLY 110   4.699  -8.609  -2.556
  825   1HA   GLY 110          1HA       GLY 110   4.052  -6.031  -1.656
  826   2HA   GLY 110          2HA       GLY 110   3.063  -7.463  -1.440
  827    H    ASN 111           H        ASN 111   4.461  -9.035   0.253
  828    HA   ASN 111           HA       ASN 111   3.988  -7.919   2.749
  829   1HB   ASN 111          1HB       ASN 111   4.146 -10.310   2.515
  830   2HB   ASN 111          2HB       ASN 111   5.818 -10.196   1.972
  831   1HD2  ASN 111          1HD2      ASN 111   4.401  -8.362   4.621
  832   2HD2  ASN 111          2HD2      ASN 111   5.325  -9.111   5.869
  833    H    LYS 112           H        LYS 112   6.948  -8.038   0.849
  834    HA   LYS 112           HA       LYS 112   8.642  -6.917   2.833
  835   1HB   LYS 112          1HB       LYS 112   8.834  -7.284  -0.141
  836   2HB   LYS 112          2HB       LYS 112  10.049  -6.348   0.716
  837   1HG   LYS 112          1HG       LYS 112   9.330  -9.161   1.483
  838   2HG   LYS 112          2HG       LYS 112  10.583  -8.776   0.302
  839   1HD   LYS 112          1HD       LYS 112  11.745  -7.430   1.997
  840   2HD   LYS 112          2HD       LYS 112  10.506  -7.865   3.177
  841   1HE   LYS 112          1HE       LYS 112  12.332  -9.797   1.749
  842   2HE   LYS 112          2HE       LYS 112  12.529  -9.240   3.410
  843   1HZ   LYS 112          1HZ       LYS 112  10.207 -10.774   2.370
  844   2HZ   LYS 112          2HZ       LYS 112  10.410 -10.254   3.966
  845   3HZ   LYS 112          3HZ       LYS 112  11.461 -11.407   3.314
  846    H    TYR 113           H        TYR 113   6.400  -5.618   0.551
  847    HA   TYR 113           HA       TYR 113   7.433  -2.922   0.681
  848   1HB   TYR 113          1HB       TYR 113   6.330  -3.859  -1.358
  849   2HB   TYR 113          2HB       TYR 113   4.811  -3.898  -0.468
  850    HD1  TYR 113           1HD      TYR 113   3.495  -1.954  -0.218
  851    HD2  TYR 113           2HD      TYR 113   7.419  -1.650  -1.830
  852    HE1  TYR 113           1HE      TYR 113   3.034   0.365  -0.879
  853    HE2  TYR 113           2HE      TYR 113   6.971   0.676  -2.496
  854    HH   TYR 113           HH       TYR 113   4.327   2.435  -1.362
  855    H    THR 114           H        THR 114   4.276  -4.365   1.517
  856    HA   THR 114           HA       THR 114   3.162  -2.299   2.890
  857    HB   THR 114           HB       THR 114   1.906  -4.310   2.437
  858    HG1  THR 114           1HG      THR 114   1.834  -4.358   5.215
  859   1HG2  THR 114          1HG2      THR 114   3.778  -5.907   2.905
  860   2HG2  THR 114          2HG2      THR 114   2.230  -6.376   3.603
  861   3HG2  THR 114          3HG2      THR 114   3.478  -5.667   4.626
  862    H    ASP 115           H        ASP 115   5.262  -4.819   4.255
  863    HA   ASP 115           HA       ASP 115   5.304  -4.214   6.900
  864   1HB   ASP 115          1HB       ASP 115   6.601  -6.047   6.092
  865   2HB   ASP 115          2HB       ASP 115   7.584  -4.992   5.081
  866    H    CYS 116           H        CYS 116   7.633  -2.836   4.595
  867    HA   CYS 116           HA       CYS 116   8.819  -1.001   6.293
  868   1HB   CYS 116          1HB       CYS 116   9.988  -1.250   4.334
  869   2HB   CYS 116          2HB       CYS 116   8.537  -1.247   3.339
  870    H    TYR 117           H        TYR 117   6.059  -0.483   4.102
  871    HA   TYR 117           HA       TYR 117   5.723   2.240   4.559
  872   1HB   TYR 117          1HB       TYR 117   4.474   0.402   2.998
  873   2HB   TYR 117          2HB       TYR 117   3.233   0.694   4.214
  874    HD1  TYR 117           1HD      TYR 117   1.644   2.216   3.554
  875    HD2  TYR 117           2HD      TYR 117   5.668   2.813   2.307
  876    HE1  TYR 117           1HE      TYR 117   0.968   4.268   2.380
  877    HE2  TYR 117           2HE      TYR 117   5.001   4.866   1.129
  878    HH   TYR 117           HH       TYR 117   2.948   5.840   0.143
  879    H    ILE 118           H        ILE 118   4.929  -0.461   6.575
  880    HA   ILE 118           HA       ILE 118   3.148   1.057   8.290
  881    HB   ILE 118           HB       ILE 118   4.313  -1.714   8.618
  882   1HG1  ILE 118          1HG1      ILE 118   2.751  -1.438   6.703
  883   2HG1  ILE 118          2HG1      ILE 118   2.129  -2.523   7.941
  884   1HG2  ILE 118          1HG2      ILE 118   2.196  -0.287  10.222
  885   2HG2  ILE 118          2HG2      ILE 118   3.788  -0.798  10.784
  886   3HG2  ILE 118          3HG2      ILE 118   2.577  -2.005  10.355
  887   1HD1  ILE 118          1HD1      ILE 118   0.402  -1.046   7.061
  888   2HD1  ILE 118          2HD1      ILE 118   1.336   0.357   7.580
  889   3HD1  ILE 118          3HD1      ILE 118   0.684  -0.761   8.777
  890    H    GLU 119           H        GLU 119   6.511   0.054   8.231
  891    HA   GLU 119           HA       GLU 119   7.037   0.659  10.969
  892   1HB   GLU 119          1HB       GLU 119   8.399  -0.932   9.669
  893   2HB   GLU 119          2HB       GLU 119   8.967   0.392   8.660
  894   1HG   GLU 119          1HG       GLU 119  10.012   1.428  10.612
  895   2HG   GLU 119          2HG       GLU 119   9.447   0.097  11.619
  896    H    LYS 120           H        LYS 120   7.599   2.410   7.922
  897    HA   LYS 120           HA       LYS 120   8.699   4.677   9.347
  898   1HB   LYS 120          1HB       LYS 120   8.114   4.297   6.410
  899   2HB   LYS 120          2HB       LYS 120   8.976   5.661   7.109
  900   1HG   LYS 120          1HG       LYS 120   9.905   2.817   7.387
  901   2HG   LYS 120          2HG       LYS 120  10.403   3.882   6.070
  902   1HD   LYS 120          1HD       LYS 120  11.391   5.429   7.630
  903   2HD   LYS 120          2HD       LYS 120  10.772   4.501   8.998
  904   1HE   LYS 120          1HE       LYS 120  12.179   2.627   8.410
  905   2HE   LYS 120          2HE       LYS 120  12.729   3.457   6.955
  906   1HZ   LYS 120          1HZ       LYS 120  13.792   5.118   8.311
  907   2HZ   LYS 120          2HZ       LYS 120  14.336   3.586   8.782
  908   3HZ   LYS 120          3HZ       LYS 120  13.198   4.409   9.729
  909    H    LEU 121           H        LEU 121   5.933   4.213   7.126
  910    HA   LEU 121           HA       LEU 121   4.825   6.743   8.093
  911   1HB   LEU 121          1HB       LEU 121   5.049   6.520   5.697
  912   2HB   LEU 121          2HB       LEU 121   4.117   5.038   5.714
  913    HG   LEU 121           HG       LEU 121   2.104   6.232   6.289
  914   1HD1  LEU 121          1HD1      LEU 121   2.987   7.924   7.760
  915   2HD1  LEU 121          2HD1      LEU 121   2.108   8.705   6.445
  916   3HD1  LEU 121          3HD1      LEU 121   3.870   8.672   6.429
  917   1HD2  LEU 121          1HD2      LEU 121   2.675   6.108   3.932
  918   2HD2  LEU 121          2HD2      LEU 121   3.607   7.601   4.062
  919   3HD2  LEU 121          3HD2      LEU 121   1.859   7.630   4.291
  920    H    PHE 122           H        PHE 122   4.401   3.419   8.635
  921    HA   PHE 122           HA       PHE 122   2.862   2.258   9.848
  922   1HB   PHE 122          1HB       PHE 122   2.619   3.682  11.608
  923   2HB   PHE 122          2HB       PHE 122   2.299   5.070  10.582
  924    HD1  PHE 122           1HD      PHE 122   0.748   1.969  11.905
  925    HD2  PHE 122           2HD      PHE 122   0.136   5.886  10.362
  926    HE1  PHE 122           1HE      PHE 122  -1.640   1.811  12.472
  927    HE2  PHE 122           2HE      PHE 122  -2.249   5.743  10.929
  928    HZ   PHE 122           HZ       PHE 122  -3.151   3.707  11.962
  929    H    SER 123           H        SER 123   1.985   4.278   7.259
  930    HA   SER 123           HA       SER 123  -0.743   3.710   6.980
  931   1HB   SER 123          1HB       SER 123   0.260   5.480   5.688
  932   2HB   SER 123          2HB       SER 123   1.370   4.351   4.914
  933    HG   SER 123           HG       SER 123  -0.230   4.577   3.467
  934   1H4   TSD 124          1H4       TSP 124  -5.354  -0.458   4.269
  935   2H4   TSD 124          2H4       TSP 124  -5.457   0.472   2.792
  936   3H4   TSD 124          3H4       TSP 124  -5.820   1.226   4.327
  937   1H5   TSD 124          1H5       TSP 124  -1.461  -0.172   4.729
  938   2H5   TSD 124          2H5       TSP 124  -2.767  -1.290   4.411
  939   3H5   TSD 124          3H5       TSP 124  -2.756  -0.354   5.887
  940   1H6   TSD 124          1H6       TSP 124  -3.318   2.322   6.007
  941   2H6   TSD 124          2H6       TSP 124  -4.150   3.173   4.728
  942   3H6   TSD 124          3H6       TSP 124  -2.407   3.043   4.702
  943   1D3   TSD 124          1D3       TSP 124  -2.928   0.366   1.762
  944   2D3   TSD 124          2D3       TSP 124  -3.260   2.081   1.894
  945   1D2   TSD 124          1D2       TSP 124  -0.681   0.722   2.740
  946   2D2   TSD 124          2D2       TSP 124  -1.015   2.449   2.861
  Start of MODEL    8
    1    HA   ILE   1           HA       ILE   1   0.149  13.274  10.459
    2    HB   ILE   1           HB       ILE   1  -0.370  11.475   8.868
    3   1HG1  ILE   1          1HG1      ILE   1   0.505   9.573  11.054
    4   2HG1  ILE   1          2HG1      ILE   1  -1.175   9.847  10.602
    5   1HG2  ILE   1          1HG2      ILE   1   1.910  12.322   9.030
    6   2HG2  ILE   1          2HG2      ILE   1   1.902  10.608   8.618
    7   3HG2  ILE   1          3HG2      ILE   1   2.279  11.117  10.264
    8   1HD1  ILE   1          1HD1      ILE   1  -0.688   9.027   8.348
    9   2HD1  ILE   1          2HD1      ILE   1  -0.329   7.824   9.586
   10   3HD1  ILE   1          3HD1      ILE   1   0.982   8.728   8.827
   11    H    ASP   2           H        ASP   2  -1.980  12.724   9.149
   12    HA   ASP   2           HA       ASP   2  -4.127  12.701  11.142
   13   1HB   ASP   2          1HB       ASP   2  -4.125  13.618   8.259
   14   2HB   ASP   2          2HB       ASP   2  -5.509  13.703   9.345
   15    H    GLN   3           H        GLN   3  -4.818  10.684  11.497
   16    HA   GLN   3           HA       GLN   3  -4.740   8.547   9.705
   17   1HB   GLN   3          1HB       GLN   3  -6.217   7.394  11.243
   18   2HB   GLN   3          2HB       GLN   3  -5.010   8.298  12.142
   19   1HG   GLN   3          1HG       GLN   3  -7.826   9.237  11.654
   20   2HG   GLN   3          2HG       GLN   3  -7.289   8.397  13.106
   21   1HE2  GLN   3          1HE2      GLN   3  -5.916   9.453  14.551
   22   2HE2  GLN   3          2HE2      GLN   3  -5.720  11.168  14.536
   23    H    ASP   4           H        ASP   4  -7.271  10.893  10.365
   24    HA   ASP   4           HA       ASP   4  -9.392   9.778   8.991
   25   1HB   ASP   4          1HB       ASP   4 -10.211  12.112   8.691
   26   2HB   ASP   4          2HB       ASP   4  -9.689  11.762  10.336
   27    H    THR   5           H        THR   5  -6.905  11.971   7.689
   28    HA   THR   5           HA       THR   5  -7.874  11.968   5.035
   29    HB   THR   5           HB       THR   5  -5.591  12.775   4.415
   30    HG1  THR   5           1HG      THR   5  -4.622  11.566   6.286
   31   1HG2  THR   5          1HG2      THR   5  -7.363  14.330   5.116
   32   2HG2  THR   5          2HG2      THR   5  -5.765  14.898   5.597
   33   3HG2  THR   5          3HG2      THR   5  -6.835  14.163   6.790
   34    H    VAL   6           H        VAL   6  -6.096   9.663   6.833
   35    HA   VAL   6           HA       VAL   6  -4.921   8.354   4.540
   36    HB   VAL   6           HB       VAL   6  -5.080   7.529   7.442
   37   1HG1  VAL   6          1HG1      VAL   6  -3.413   5.836   6.896
   38   2HG1  VAL   6          2HG1      VAL   6  -3.504   6.282   5.196
   39   3HG1  VAL   6          3HG1      VAL   6  -4.905   5.568   5.996
   40   1HG2  VAL   6          1HG2      VAL   6  -2.778   8.611   5.825
   41   2HG2  VAL   6          2HG2      VAL   6  -2.739   8.161   7.530
   42   3HG2  VAL   6          3HG2      VAL   6  -3.721   9.526   7.000
   43    H    VAL   7           H        VAL   7  -7.165   7.237   7.061
   44    HA   VAL   7           HA       VAL   7  -7.982   4.908   5.760
   45    HB   VAL   7           HB       VAL   7  -9.539   6.530   7.773
   46   1HG1  VAL   7          1HG1      VAL   7 -10.587   4.380   8.343
   47   2HG1  VAL   7          2HG1      VAL   7  -9.711   3.613   7.018
   48   3HG1  VAL   7          3HG1      VAL   7 -10.917   4.854   6.676
   49   1HG2  VAL   7          1HG2      VAL   7  -7.528   4.320   8.194
   50   2HG2  VAL   7          2HG2      VAL   7  -8.505   5.076   9.453
   51   3HG2  VAL   7          3HG2      VAL   7  -7.300   6.025   8.582
   52    H    ALA   8           H        ALA   8  -9.786   7.977   6.071
   53    HA   ALA   8           HA       ALA   8 -11.975   7.248   4.518
   54   1HB   ALA   8          1HB       ALA   8 -11.927   9.210   5.981
   55   2HB   ALA   8          2HB       ALA   8 -12.469   9.616   4.352
   56   3HB   ALA   8          3HB       ALA   8 -10.827  10.014   4.860
   57    H    LYS   9           H        LYS   9  -8.822   8.416   3.477
   58    HA   LYS   9           HA       LYS   9  -9.769   8.885   0.779
   59   1HB   LYS   9          1HB       LYS   9  -7.129   9.172   2.147
   60   2HB   LYS   9          2HB       LYS   9  -7.215   9.174   0.392
   61   1HG   LYS   9          1HG       LYS   9  -9.111  10.951   1.786
   62   2HG   LYS   9          2HG       LYS   9  -7.405  11.390   1.884
   63   1HD   LYS   9          1HD       LYS   9  -8.443  12.475  -0.024
   64   2HD   LYS   9          2HD       LYS   9  -7.254  11.294  -0.567
   65   1HE   LYS   9          1HE       LYS   9  -9.282  11.207  -1.923
   66   2HE   LYS   9          2HE       LYS   9  -9.034   9.701  -1.039
   67   1HZ   LYS   9          1HZ       LYS   9 -10.889  11.883  -0.243
   68   2HZ   LYS   9          2HZ       LYS   9 -10.657  10.435   0.597
   69   3HZ   LYS   9          3HZ       LYS   9 -11.342  10.413  -0.949
   70    H    TYR  10           H        TYR  10  -7.261   6.725   2.160
   71    HA   TYR  10           HA       TYR  10  -6.797   5.208  -0.097
   72   1HB   TYR  10          1HB       TYR  10  -6.659   4.546   2.828
   73   2HB   TYR  10          2HB       TYR  10  -6.324   3.311   1.619
   74    HD1  TYR  10           1HD      TYR  10  -4.702   4.386  -0.361
   75    HD2  TYR  10           2HD      TYR  10  -4.769   5.460   3.753
   76    HE1  TYR  10           1HE      TYR  10  -2.380   5.175  -0.535
   77    HE2  TYR  10           2HE      TYR  10  -2.448   6.253   3.590
   78    HH   TYR  10           HH       TYR  10  -0.876   6.743   0.631
   79    H    MET  11           H        MET  11  -9.572   5.249   1.932
   80    HA   MET  11           HA       MET  11 -10.569   2.684   1.030
   81   1HB   MET  11          1HB       MET  11 -11.035   3.424   3.312
   82   2HB   MET  11          2HB       MET  11 -11.861   4.848   2.698
   83   1HG   MET  11          1HG       MET  11 -13.592   3.485   1.731
   84   2HG   MET  11          2HG       MET  11 -12.740   2.015   2.201
   85   1HE   MET  11          1HE       MET  11 -14.650   4.980   5.175
   86   2HE   MET  11          2HE       MET  11 -14.700   5.164   3.421
   87   3HE   MET  11          3HE       MET  11 -13.172   5.341   4.283
   88    H    GLU  12           H        GLU  12 -11.872   6.005   0.883
   89    HA   GLU  12           HA       GLU  12 -13.872   5.479  -0.992
   90   1HB   GLU  12          1HB       GLU  12 -13.780   7.501   0.412
   91   2HB   GLU  12          2HB       GLU  12 -12.400   8.074  -0.514
   92   1HG   GLU  12          1HG       GLU  12 -13.855   8.052  -2.543
   93   2HG   GLU  12          2HG       GLU  12 -15.217   7.689  -1.485
   94    H    TYR  13           H        TYR  13 -10.483   6.187  -1.448
   95    HA   TYR  13           HA       TYR  13 -10.463   7.014  -4.099
   96   1HB   TYR  13          1HB       TYR  13  -8.540   6.716  -2.295
   97   2HB   TYR  13          2HB       TYR  13  -8.292   5.199  -3.153
   98    HD1  TYR  13           1HD      TYR  13  -6.991   8.310  -2.909
   99    HD2  TYR  13           2HD      TYR  13  -8.562   5.728  -5.908
  100    HE1  TYR  13           1HE      TYR  13  -5.680   9.498  -4.615
  101    HE2  TYR  13           2HE      TYR  13  -7.260   6.915  -7.621
  102    HH   TYR  13           HH       TYR  13  -4.760   9.075  -6.858
  103    H    LEU  14           H        LEU  14 -10.350   3.710  -2.789
  104    HA   LEU  14           HA       LEU  14 -11.271   2.725  -5.391
  105   1HB   LEU  14          1HB       LEU  14  -8.937   1.573  -3.861
  106   2HB   LEU  14          2HB       LEU  14  -9.664   0.853  -5.283
  107    HG   LEU  14           HG       LEU  14  -8.356   3.571  -5.268
  108   1HD1  LEU  14          1HD1      LEU  14  -6.437   2.533  -6.280
  109   2HD1  LEU  14          2HD1      LEU  14  -7.218   0.953  -6.235
  110   3HD1  LEU  14          3HD1      LEU  14  -6.761   1.757  -4.732
  111   1HD2  LEU  14          1HD2      LEU  14  -9.234   1.754  -7.509
  112   2HD2  LEU  14          2HD2      LEU  14  -8.371   3.279  -7.703
  113   3HD2  LEU  14          3HD2      LEU  14 -10.002   3.268  -7.032
  114    H    MET  15           H        MET  15 -12.814   3.061  -3.059
  115    HA   MET  15           HA       MET  15 -12.970   0.821  -1.408
  116   1HB   MET  15          1HB       MET  15 -14.131   2.745  -0.706
  117   2HB   MET  15          2HB       MET  15 -14.996   2.886  -2.229
  118   1HG   MET  15          1HG       MET  15 -16.299   0.932  -1.713
  119   2HG   MET  15          2HG       MET  15 -15.389   0.678  -0.226
  120   1HE   MET  15          1HE       MET  15 -16.560   4.161  -1.663
  121   2HE   MET  15          2HE       MET  15 -18.159   4.306  -0.932
  122   3HE   MET  15          3HE       MET  15 -17.851   3.058  -2.139
  123    HA   PRO  16           HA       PRO  16 -16.250  -1.024  -4.430
  124   1HB   PRO  16          1HB       PRO  16 -16.343  -0.066  -6.961
  125   2HB   PRO  16          2HB       PRO  16 -17.315   0.613  -5.649
  126   1HG   PRO  16          1HG       PRO  16 -14.731   1.595  -6.799
  127   2HG   PRO  16          2HG       PRO  16 -16.179   2.518  -6.353
  128   1HD   PRO  16          1HD       PRO  16 -13.990   2.378  -4.766
  129   2HD   PRO  16          2HD       PRO  16 -15.634   2.531  -4.115
  130    H    ASP  17           H        ASP  17 -13.046  -0.144  -5.245
  131    HA   ASP  17           HA       ASP  17 -12.750  -2.447  -7.036
  132   1HB   ASP  17          1HB       ASP  17 -10.907  -0.115  -6.493
  133   2HB   ASP  17          2HB       ASP  17 -10.518  -1.460  -7.560
  134    H    ILE  18           H        ILE  18 -12.406  -1.662  -3.822
  135    HA   ILE  18           HA       ILE  18 -10.055  -3.288  -3.325
  136    HB   ILE  18           HB       ILE  18 -11.846  -1.616  -1.609
  137   1HG1  ILE  18          1HG1      ILE  18  -8.834  -1.840  -1.728
  138   2HG1  ILE  18          2HG1      ILE  18  -9.767  -0.749  -2.744
  139   1HG2  ILE  18          1HG2      ILE  18 -10.002  -3.767  -0.578
  140   2HG2  ILE  18          2HG2      ILE  18 -11.745  -3.652  -0.336
  141   3HG2  ILE  18          3HG2      ILE  18 -10.672  -2.468   0.410
  142   1HD1  ILE  18          1HD1      ILE  18 -10.577   0.415  -0.772
  143   2HD1  ILE  18          2HD1      ILE  18  -8.814   0.389  -0.812
  144   3HD1  ILE  18          3HD1      ILE  18  -9.689  -0.702   0.264
  145    H    MET  19           H        MET  19 -13.553  -3.446  -2.757
  146    HA   MET  19           HA       MET  19 -13.676  -5.805  -1.309
  147   1HB   MET  19          1HB       MET  19 -15.661  -4.947  -3.420
  148   2HB   MET  19          2HB       MET  19 -15.967  -6.025  -2.066
  149   1HG   MET  19          1HG       MET  19 -15.294  -3.098  -1.898
  150   2HG   MET  19          2HG       MET  19 -16.877  -3.825  -1.645
  151   1HE   MET  19          1HE       MET  19 -17.468  -5.410   0.427
  152   2HE   MET  19          2HE       MET  19 -16.278  -5.914   1.625
  153   3HE   MET  19          3HE       MET  19 -16.134  -6.463  -0.044
  154    HA   PRO  20           HA       PRO  20 -14.051  -8.025  -5.822
  155   1HB   PRO  20          1HB       PRO  20 -11.780  -6.326  -6.799
  156   2HB   PRO  20          2HB       PRO  20 -13.055  -7.124  -7.726
  157   1HG   PRO  20          1HG       PRO  20 -13.212  -4.530  -7.220
  158   2HG   PRO  20          2HG       PRO  20 -14.659  -5.551  -7.126
  159   1HD   PRO  20          1HD       PRO  20 -13.052  -4.341  -4.940
  160   2HD   PRO  20          2HD       PRO  20 -14.782  -4.723  -4.993
  161    H    CYS  21           H        CYS  21 -10.903  -6.678  -4.791
  162    HA   CYS  21           HA       CYS  21  -9.389  -8.972  -5.276
  163   1HB   CYS  21          1HB       CYS  21  -8.912  -6.784  -3.249
  164   2HB   CYS  21          2HB       CYS  21  -7.711  -7.964  -3.770
  165    H    ALA  22           H        ALA  22 -11.346  -8.103  -2.501
  166    HA   ALA  22           HA       ALA  22 -10.294 -10.040  -0.717
  167   1HB   ALA  22          1HB       ALA  22 -12.274  -9.619   0.622
  168   2HB   ALA  22          2HB       ALA  22 -13.045  -8.801  -0.738
  169   3HB   ALA  22          3HB       ALA  22 -11.616  -8.097   0.018
  170    H    ASP  23           H        ASP  23 -13.106 -10.043  -2.882
  171    HA   ASP  23           HA       ASP  23 -13.817 -12.749  -2.238
  172   1HB   ASP  23          1HB       ASP  23 -15.513 -11.117  -2.971
  173   2HB   ASP  23          2HB       ASP  23 -14.710 -10.982  -4.532
  174    H    GLU  24           H        GLU  24 -11.541 -11.248  -4.230
  175    HA   GLU  24           HA       GLU  24 -11.389 -12.982  -6.411
  176   1HB   GLU  24          1HB       GLU  24  -9.762 -10.887  -5.228
  177   2HB   GLU  24          2HB       GLU  24  -8.785 -12.160  -5.936
  178   1HG   GLU  24          1HG       GLU  24 -10.956 -10.623  -7.345
  179   2HG   GLU  24          2HG       GLU  24  -9.221 -10.353  -7.515
  180    H    LEU  25           H        LEU  25  -9.917 -13.213  -3.172
  181    HA   LEU  25           HA       LEU  25  -8.934 -15.881  -3.986
  182   1HB   LEU  25          1HB       LEU  25  -7.857 -14.307  -1.663
  183   2HB   LEU  25          2HB       LEU  25  -7.108 -15.648  -2.518
  184    HG   LEU  25           HG       LEU  25  -7.406 -13.676  -4.468
  185   1HD1  LEU  25          1HD1      LEU  25  -6.309 -12.434  -1.953
  186   2HD1  LEU  25          2HD1      LEU  25  -7.909 -12.094  -2.619
  187   3HD1  LEU  25          3HD1      LEU  25  -6.464 -11.680  -3.542
  188   1HD2  LEU  25          1HD2      LEU  25  -5.084 -14.599  -2.803
  189   2HD2  LEU  25          2HD2      LEU  25  -4.902 -13.444  -4.122
  190   3HD2  LEU  25          3HD2      LEU  25  -5.511 -15.069  -4.448
  191    H    HIS  26           H        HIS  26 -10.401 -14.026  -1.324
  192    HA   HIS  26           HA       HIS  26 -12.096 -16.075  -0.514
  193   1HB   HIS  26          1HB       HIS  26 -10.773 -16.356   1.822
  194   2HB   HIS  26          2HB       HIS  26 -10.628 -17.483   0.482
  195    HD1  HIS  26           1HD      HIS  26  -8.291 -18.094   0.057
  196    HD2  HIS  26           2HD      HIS  26  -8.603 -14.194   1.454
  197    HE1  HIS  26           1HE      HIS  26  -5.933 -17.233   0.183
  198    HE2  HIS  26           2HE      HIS  26  -6.156 -14.841   0.935
  199    H    ILE  27           H        ILE  27 -10.022 -13.682   1.079
  200    HA   ILE  27           HA       ILE  27 -12.379 -12.218   2.017
  201    HB   ILE  27           HB       ILE  27 -10.755 -12.098   4.231
  202   1HG1  ILE  27          1HG1      ILE  27 -10.863 -15.030   3.676
  203   2HG1  ILE  27          2HG1      ILE  27  -9.561 -14.099   2.940
  204   1HG2  ILE  27          1HG2      ILE  27 -13.193 -12.357   4.194
  205   2HG2  ILE  27          2HG2      ILE  27 -12.438 -13.495   5.310
  206   3HG2  ILE  27          3HG2      ILE  27 -13.007 -14.049   3.734
  207   1HD1  ILE  27          1HD1      ILE  27 -10.151 -14.054   5.884
  208   2HD1  ILE  27          2HD1      ILE  27  -8.716 -13.456   5.048
  209   3HD1  ILE  27          3HD1      ILE  27  -9.031 -15.190   5.131
  210    H    SER  28           H        SER  28 -11.493 -10.191   3.340
  211    HA   SER  28           HA       SER  28  -9.631  -8.851   1.569
  212   1HB   SER  28          1HB       SER  28 -10.961  -7.695   4.018
  213   2HB   SER  28          2HB       SER  28 -10.234  -6.824   2.666
  214    HG   SER  28           HG       SER  28 -12.671  -8.213   2.795
  215    H    GLU  29           H        GLU  29  -8.029  -7.329   2.649
  216    HA   GLU  29           HA       GLU  29  -6.145  -8.886   4.092
  217   1HB   GLU  29          1HB       GLU  29  -5.352  -7.200   2.589
  218   2HB   GLU  29          2HB       GLU  29  -6.289  -5.950   3.394
  219   1HG   GLU  29          1HG       GLU  29  -4.276  -7.394   5.007
  220   2HG   GLU  29          2HG       GLU  29  -3.688  -6.272   3.784
  221    H    ASP  30           H        ASP  30  -8.757  -6.853   5.004
  222    HA   ASP  30           HA       ASP  30  -7.763  -6.355   7.687
  223   1HB   ASP  30          1HB       ASP  30 -10.445  -5.728   6.435
  224   2HB   ASP  30          2HB       ASP  30  -9.907  -5.184   8.021
  225    H    ILE  31           H        ILE  31 -10.395  -8.191   6.169
  226    HA   ILE  31           HA       ILE  31 -11.342  -9.312   8.609
  227    HB   ILE  31           HB       ILE  31 -11.741 -10.503   5.868
  228   1HG1  ILE  31          1HG1      ILE  31 -13.343  -8.284   7.165
  229   2HG1  ILE  31          2HG1      ILE  31 -12.231  -8.071   5.817
  230   1HG2  ILE  31          1HG2      ILE  31 -12.515 -11.879   7.701
  231   2HG2  ILE  31          2HG2      ILE  31 -13.901 -11.212   6.839
  232   3HG2  ILE  31          3HG2      ILE  31 -13.407 -10.520   8.383
  233   1HD1  ILE  31          1HD1      ILE  31 -13.636  -9.549   4.454
  234   2HD1  ILE  31          2HD1      ILE  31 -14.508  -8.129   5.030
  235   3HD1  ILE  31          3HD1      ILE  31 -14.763  -9.695   5.803
  236    H    ALA  32           H        ALA  32  -8.558  -9.831   6.883
  237    HA   ALA  32           HA       ALA  32  -8.134 -12.541   6.778
  238   1HB   ALA  32          1HB       ALA  32  -6.560 -10.891   5.905
  239   2HB   ALA  32          2HB       ALA  32  -5.750 -12.056   6.953
  240   3HB   ALA  32          3HB       ALA  32  -6.117 -10.437   7.551
  241    H    THR  33           H        THR  33  -7.503 -10.391   9.558
  242    HA   THR  33           HA       THR  33  -7.999 -12.596  11.375
  243    HB   THR  33           HB       THR  33  -5.366 -11.137  11.600
  244    HG1  THR  33           1HG      THR  33  -4.814 -13.566  10.969
  245   1HG2  THR  33          1HG2      THR  33  -6.401 -13.670  12.882
  246   2HG2  THR  33          2HG2      THR  33  -6.267 -12.100  13.673
  247   3HG2  THR  33          3HG2      THR  33  -4.814 -12.947  13.146
  248    H    ASN  34           H        ASN  34  -7.950  -9.329  10.589
  249    HA   ASN  34           HA       ASN  34  -8.751  -7.459  11.590
  250   1HB   ASN  34          1HB       ASN  34  -9.815  -9.409  13.642
  251   2HB   ASN  34          2HB       ASN  34 -10.268  -7.711  13.529
  252   1HD2  ASN  34          1HD2      ASN  34 -10.511 -10.850  12.060
  253   2HD2  ASN  34          2HD2      ASN  34 -11.816 -10.475  10.993
  254    H    ILE  35           H        ILE  35  -6.261  -7.372  11.914
  255    HA   ILE  35           HA       ILE  35  -4.481  -6.711  13.170
  256    HB   ILE  35           HB       ILE  35  -6.467  -5.714  15.200
  257   1HG1  ILE  35          1HG1      ILE  35  -5.686  -4.331  12.622
  258   2HG1  ILE  35          2HG1      ILE  35  -7.223  -5.151  12.879
  259   1HG2  ILE  35          1HG2      ILE  35  -4.835  -3.900  15.452
  260   2HG2  ILE  35          2HG2      ILE  35  -3.811  -4.657  14.233
  261   3HG2  ILE  35          3HG2      ILE  35  -4.110  -5.477  15.766
  262   1HD1  ILE  35          1HD1      ILE  35  -6.219  -2.774  14.426
  263   2HD1  ILE  35          2HD1      ILE  35  -7.765  -3.589  14.666
  264   3HD1  ILE  35          3HD1      ILE  35  -7.436  -2.748  13.151
  265    H    GLN  36           H        GLN  36  -4.985  -9.371  13.547
  266    HA   GLN  36           HA       GLN  36  -4.008  -9.728  16.269
  267   1HB   GLN  36          1HB       GLN  36  -6.449 -11.108  15.169
  268   2HB   GLN  36          2HB       GLN  36  -5.554 -11.719  16.553
  269   1HG   GLN  36          1HG       GLN  36  -5.973  -9.570  17.712
  270   2HG   GLN  36          2HG       GLN  36  -6.972  -9.072  16.346
  271   1HE2  GLN  36          1HE2      GLN  36  -8.959 -10.065  16.009
  272   2HE2  GLN  36          2HE2      GLN  36  -9.743 -10.994  17.240
  273    H    ALA  37           H        ALA  37  -3.296 -10.082  13.247
  274    HA   ALA  37           HA       ALA  37  -2.609 -12.892  13.149
  275   1HB   ALA  37          1HB       ALA  37  -3.365 -11.701  11.130
  276   2HB   ALA  37          2HB       ALA  37  -1.774 -12.434  10.931
  277   3HB   ALA  37          3HB       ALA  37  -1.916 -10.698  11.204
  278    H    ALA  38           H        ALA  38  -0.575 -10.037  12.470
  279    HA   ALA  38           HA       ALA  38   1.414 -10.986  14.367
  280   1HB   ALA  38          1HB       ALA  38   2.073 -10.714  11.440
  281   2HB   ALA  38          2HB       ALA  38   1.935 -12.230  12.331
  282   3HB   ALA  38          3HB       ALA  38   3.213 -11.083  12.735
  283    H    LYS  39           H        LYS  39   1.649  -8.811  11.551
  284    HA   LYS  39           HA       LYS  39   2.710  -6.751  13.305
  285   1HB   LYS  39          1HB       LYS  39   3.138  -5.535  11.135
  286   2HB   LYS  39          2HB       LYS  39   3.990  -7.058  11.344
  287   1HG   LYS  39          1HG       LYS  39   2.230  -8.150   9.957
  288   2HG   LYS  39          2HG       LYS  39   1.563  -6.548   9.644
  289   1HD   LYS  39          1HD       LYS  39   4.390  -7.385   9.007
  290   2HD   LYS  39          2HD       LYS  39   3.064  -7.363   7.843
  291   1HE   LYS  39          1HE       LYS  39   4.159  -4.991   9.353
  292   2HE   LYS  39          2HE       LYS  39   4.421  -5.351   7.646
  293   1HZ   LYS  39          1HZ       LYS  39   1.810  -4.733   8.923
  294   2HZ   LYS  39          2HZ       LYS  39   2.026  -5.130   7.293
  295   3HZ   LYS  39          3HZ       LYS  39   2.694  -3.706   7.911
  296    H    ASN  40           H        ASN  40   0.204  -6.831  10.740
  297    HA   ASN  40           HA       ASN  40  -1.188  -4.709  12.243
  298   1HB   ASN  40          1HB       ASN  40  -1.906  -3.706  10.191
  299   2HB   ASN  40          2HB       ASN  40  -0.166  -3.948  10.073
  300   1HD2  ASN  40          1HD2      ASN  40   0.639  -5.540   8.697
  301   2HD2  ASN  40          2HD2      ASN  40  -0.323  -6.227   7.437
  302    H    GLY  41           H        GLY  41  -1.329  -7.867  11.307
  303   1HA   GLY  41          1HA       GLY  41  -3.191  -9.227  11.962
  304   2HA   GLY  41          2HA       GLY  41  -4.257  -7.877  11.600
  305    H    ALA  42           H        ALA  42  -2.056  -7.960   9.174
  306    HA   ALA  42           HA       ALA  42  -3.946  -9.176   7.348
  307   1HB   ALA  42          1HB       ALA  42  -1.279  -7.870   6.826
  308   2HB   ALA  42          2HB       ALA  42  -2.854  -7.082   6.740
  309   3HB   ALA  42          3HB       ALA  42  -2.444  -8.362   5.598
  310    H    ASP  43           H        ASP  43  -1.548 -10.318   9.279
  311    HA   ASP  43           HA       ASP  43  -0.521 -12.332   9.462
  312   1HB   ASP  43          1HB       ASP  43  -2.653 -13.205   8.434
  313   2HB   ASP  43          2HB       ASP  43  -1.844 -13.138   6.871
  314    H    MET  44           H        MET  44  -0.171 -10.315   6.767
  315    HA   MET  44           HA       MET  44   1.643  -9.740   5.522
  316   1HB   MET  44          1HB       MET  44   2.922 -10.188   7.617
  317   2HB   MET  44          2HB       MET  44   3.160 -11.843   7.071
  318   1HG   MET  44          1HG       MET  44   4.263 -10.897   5.021
  319   2HG   MET  44          2HG       MET  44   4.200  -9.324   5.817
  320   1HE   MET  44          1HE       MET  44   4.717 -10.057   8.857
  321   2HE   MET  44          2HE       MET  44   5.506  -8.715   8.025
  322   3HE   MET  44          3HE       MET  44   6.470  -9.870   8.946
  323    H    SER  45           H        SER  45   0.771 -13.104   5.808
  324    HA   SER  45           HA       SER  45   2.256 -14.101   3.633
  325   1HB   SER  45          1HB       SER  45   1.251 -15.587   5.295
  326   2HB   SER  45          2HB       SER  45  -0.363 -15.091   4.787
  327    HG   SER  45           HG       SER  45   1.139 -17.027   3.786
  328    H    GLN  46           H        GLN  46  -1.215 -13.217   3.787
  329    HA   GLN  46           HA       GLN  46  -1.340 -13.241   0.890
  330   1HB   GLN  46          1HB       GLN  46  -3.250 -13.417   3.058
  331   2HB   GLN  46          2HB       GLN  46  -3.756 -12.236   1.856
  332   1HG   GLN  46          1HG       GLN  46  -3.116 -15.139   1.394
  333   2HG   GLN  46          2HG       GLN  46  -4.692 -14.363   1.306
  334   1HE2  GLN  46          1HE2      GLN  46  -1.614 -14.767  -0.260
  335   2HE2  GLN  46          2HE2      GLN  46  -2.083 -14.154  -1.804
  336    H    LEU  47           H        LEU  47  -0.590 -11.031   3.304
  337    HA   LEU  47           HA       LEU  47  -1.727  -8.662   2.383
  338   1HB   LEU  47          1HB       LEU  47  -0.582  -8.847   4.532
  339   2HB   LEU  47          2HB       LEU  47   0.944  -9.100   3.716
  340    HG   LEU  47           HG       LEU  47   0.735  -6.804   2.747
  341   1HD1  LEU  47          1HD1      LEU  47  -1.516  -6.554   4.726
  342   2HD1  LEU  47          2HD1      LEU  47  -1.702  -6.623   2.977
  343   3HD1  LEU  47          3HD1      LEU  47  -0.853  -5.268   3.720
  344   1HD2  LEU  47          1HD2      LEU  47   2.150  -7.197   4.668
  345   2HD2  LEU  47          2HD2      LEU  47   0.766  -7.063   5.751
  346   3HD2  LEU  47          3HD2      LEU  47   1.318  -5.651   4.851
  347    H    GLY  48           H        GLY  48   1.284 -10.259   1.409
  348   1HA   GLY  48          1HA       GLY  48   2.015  -8.185  -0.418
  349   2HA   GLY  48          2HA       GLY  48   2.729  -9.788  -0.325
  350    H    CYS  49           H        CYS  49  -0.657  -9.826  -0.624
  351    HA   CYS  49           HA       CYS  49  -0.610  -9.893  -3.529
  352   1HB   CYS  49          1HB       CYS  49  -1.047 -12.248  -1.774
  353   2HB   CYS  49          2HB       CYS  49  -1.989 -12.117  -3.253
  354    H    LEU  50           H        LEU  50  -2.817 -11.112  -1.050
  355    HA   LEU  50           HA       LEU  50  -5.207 -10.436  -2.138
  356   1HB   LEU  50          1HB       LEU  50  -5.190 -11.676  -0.131
  357   2HB   LEU  50          2HB       LEU  50  -4.272 -10.452   0.717
  358    HG   LEU  50           HG       LEU  50  -6.193  -9.003   0.836
  359   1HD1  LEU  50          1HD1      LEU  50  -7.181  -9.556  -1.345
  360   2HD1  LEU  50          2HD1      LEU  50  -8.365  -9.636  -0.039
  361   3HD1  LEU  50          3HD1      LEU  50  -7.685 -11.120  -0.706
  362   1HD2  LEU  50          1HD2      LEU  50  -6.658 -11.858   1.647
  363   2HD2  LEU  50          2HD2      LEU  50  -7.749 -10.552   2.100
  364   3HD2  LEU  50          3HD2      LEU  50  -6.069 -10.518   2.631
  365    H    LYS  51           H        LYS  51  -3.376  -8.361   0.116
  366    HA   LYS  51           HA       LYS  51  -5.044  -6.097  -0.488
  367   1HB   LYS  51          1HB       LYS  51  -3.993  -6.409   1.745
  368   2HB   LYS  51          2HB       LYS  51  -2.412  -6.184   1.007
  369   1HG   LYS  51          1HG       LYS  51  -3.170  -3.924   0.262
  370   2HG   LYS  51          2HG       LYS  51  -4.632  -4.164   1.220
  371   1HD   LYS  51          1HD       LYS  51  -3.275  -4.418   3.235
  372   2HD   LYS  51          2HD       LYS  51  -1.808  -4.200   2.277
  373   1HE   LYS  51          1HE       LYS  51  -2.605  -1.953   1.633
  374   2HE   LYS  51          2HE       LYS  51  -4.006  -2.176   2.680
  375   1HZ   LYS  51          1HZ       LYS  51  -2.276  -0.905   3.781
  376   2HZ   LYS  51          2HZ       LYS  51  -1.172  -2.169   3.567
  377   3HZ   LYS  51          3HZ       LYS  51  -2.516  -2.383   4.570
  378    H    ALA  52           H        ALA  52  -2.168  -7.550  -1.747
  379    HA   ALA  52           HA       ALA  52  -1.096  -5.149  -2.929
  380   1HB   ALA  52          1HB       ALA  52   0.524  -6.564  -3.965
  381   2HB   ALA  52          2HB       ALA  52  -0.462  -7.997  -3.675
  382   3HB   ALA  52          3HB       ALA  52   0.277  -7.148  -2.318
  383    H    CYS  53           H        CYS  53  -3.731  -7.057  -3.600
  384    HA   CYS  53           HA       CYS  53  -3.661  -7.071  -6.449
  385   1HB   CYS  53          1HB       CYS  53  -5.068  -8.702  -5.528
  386   2HB   CYS  53          2HB       CYS  53  -5.788  -7.570  -4.387
  387    H    VAL  54           H        VAL  54  -4.938  -4.913  -3.994
  388    HA   VAL  54           HA       VAL  54  -6.471  -3.256  -5.682
  389    HB   VAL  54           HB       VAL  54  -5.036  -2.476  -3.138
  390   1HG1  VAL  54          1HG1      VAL  54  -7.371  -1.217  -4.572
  391   2HG1  VAL  54          2HG1      VAL  54  -5.759  -0.532  -4.377
  392   3HG1  VAL  54          3HG1      VAL  54  -6.797  -0.752  -2.971
  393   1HG2  VAL  54          1HG2      VAL  54  -7.169  -2.964  -2.020
  394   2HG2  VAL  54          2HG2      VAL  54  -6.472  -4.400  -2.770
  395   3HG2  VAL  54          3HG2      VAL  54  -7.818  -3.566  -3.545
  396    H    MET  55           H        MET  55  -3.088  -3.594  -5.206
  397    HA   MET  55           HA       MET  55  -2.265  -1.018  -6.079
  398   1HB   MET  55          1HB       MET  55  -0.755  -3.638  -6.162
  399   2HB   MET  55          2HB       MET  55  -0.049  -2.037  -6.324
  400   1HG   MET  55          1HG       MET  55  -0.859  -1.514  -4.034
  401   2HG   MET  55          2HG       MET  55  -1.380  -3.194  -3.890
  402   1HE   MET  55          1HE       MET  55   0.698  -1.587  -1.931
  403   2HE   MET  55          2HE       MET  55   1.834  -2.896  -1.604
  404   3HE   MET  55          3HE       MET  55   0.101  -3.218  -1.631
  405    H    LYS  56           H        LYS  56  -2.602  -4.153  -7.706
  406    HA   LYS  56           HA       LYS  56  -1.696  -3.370 -10.237
  407   1HB   LYS  56          1HB       LYS  56  -3.840  -5.426  -9.691
  408   2HB   LYS  56          2HB       LYS  56  -2.756  -5.359 -11.071
  409   1HG   LYS  56          1HG       LYS  56  -0.869  -5.892  -9.675
  410   2HG   LYS  56          2HG       LYS  56  -1.881  -5.828  -8.231
  411   1HD   LYS  56          1HD       LYS  56  -3.115  -7.747  -8.918
  412   2HD   LYS  56          2HD       LYS  56  -2.374  -7.723 -10.521
  413   1HE   LYS  56          1HE       LYS  56  -0.897  -8.202  -7.935
  414   2HE   LYS  56          2HE       LYS  56  -1.432  -9.467  -9.042
  415   1HZ   LYS  56          1HZ       LYS  56   0.850  -8.988  -9.476
  416   2HZ   LYS  56          2HZ       LYS  56   0.550  -7.329  -9.601
  417   3HZ   LYS  56          3HZ       LYS  56  -0.054  -8.387 -10.775
  418    H    ARG  57           H        ARG  57  -4.570  -2.606  -8.563
  419    HA   ARG  57           HA       ARG  57  -6.327  -2.216 -10.748
  420   1HB   ARG  57          1HB       ARG  57  -6.821  -2.378  -8.201
  421   2HB   ARG  57          2HB       ARG  57  -6.494  -0.651  -8.193
  422   1HG   ARG  57          1HG       ARG  57  -8.816  -0.836  -8.392
  423   2HG   ARG  57          2HG       ARG  57  -8.249  -0.465 -10.021
  424   1HD   ARG  57          1HD       ARG  57  -8.683  -3.289  -9.100
  425   2HD   ARG  57          2HD       ARG  57 -10.002  -2.321  -9.757
  426    HE   ARG  57           HE       ARG  57  -8.055  -2.101 -11.632
  427   1HH1  ARG  57          1HH1      ARG  57  -9.589  -4.805 -10.056
  428   2HH1  ARG  57          2HH1      ARG  57  -9.403  -5.866 -11.413
  429   1HH2  ARG  57          1HH2      ARG  57  -7.800  -3.493 -13.419
  430   2HH2  ARG  57          2HH2      ARG  57  -8.383  -5.120 -13.323
  431    H    ILE  58           H        ILE  58  -4.196   0.002  -8.967
  432    HA   ILE  58           HA       ILE  58  -4.781   2.089 -10.948
  433    HB   ILE  58           HB       ILE  58  -3.575   3.604  -9.336
  434   1HG1  ILE  58          1HG1      ILE  58  -3.876   1.226  -7.486
  435   2HG1  ILE  58          2HG1      ILE  58  -2.348   1.809  -8.139
  436   1HG2  ILE  58          1HG2      ILE  58  -6.038   2.191  -8.320
  437   2HG2  ILE  58          2HG2      ILE  58  -6.012   3.500  -9.502
  438   3HG2  ILE  58          3HG2      ILE  58  -5.495   3.800  -7.843
  439   1HD1  ILE  58          1HD1      ILE  58  -2.645   2.562  -5.865
  440   2HD1  ILE  58          2HD1      ILE  58  -4.183   3.313  -6.288
  441   3HD1  ILE  58          3HD1      ILE  58  -2.681   3.937  -6.968
  442    H    GLU  59           H        GLU  59  -3.069  -0.135 -11.604
  443    HA   GLU  59           HA       GLU  59  -1.104  -0.566 -12.658
  444   1HB   GLU  59          1HB       GLU  59  -0.985   2.449 -12.792
  445   2HB   GLU  59          2HB       GLU  59   0.080   1.368 -13.679
  446   1HG   GLU  59          1HG       GLU  59  -1.853   0.429 -14.849
  447   2HG   GLU  59          2HG       GLU  59  -2.912   1.529 -13.966
  448    H    MET  60           H        MET  60  -1.218   0.271  -9.647
  449    HA   MET  60           HA       MET  60   1.409   1.209  -9.061
  450   1HB   MET  60          1HB       MET  60  -0.339   1.613  -7.466
  451   2HB   MET  60          2HB       MET  60  -0.712  -0.101  -7.356
  452   1HG   MET  60          1HG       MET  60   0.509   0.743  -5.401
  453   2HG   MET  60          2HG       MET  60   1.375  -0.539  -6.247
  454   1HE   MET  60          1HE       MET  60   3.636   0.105  -4.966
  455   2HE   MET  60          2HE       MET  60   2.706   1.325  -4.098
  456   3HE   MET  60          3HE       MET  60   4.235   1.761  -4.861
  457    H    LEU  61           H        LEU  61   0.183  -1.791 -10.019
  458    HA   LEU  61           HA       LEU  61   2.752  -3.044  -9.616
  459   1HB   LEU  61          1HB       LEU  61   1.501  -3.439  -7.488
  460   2HB   LEU  61          2HB       LEU  61   0.287  -4.301  -8.414
  461    HG   LEU  61           HG       LEU  61   2.041  -5.930  -9.108
  462   1HD1  LEU  61          1HD1      LEU  61   3.726  -4.451  -7.092
  463   2HD1  LEU  61          2HD1      LEU  61   3.995  -4.503  -8.834
  464   3HD1  LEU  61          3HD1      LEU  61   4.151  -5.975  -7.875
  465   1HD2  LEU  61          1HD2      LEU  61   0.554  -6.443  -7.265
  466   2HD2  LEU  61          2HD2      LEU  61   1.613  -5.587  -6.144
  467   3HD2  LEU  61          3HD2      LEU  61   2.170  -7.065  -6.931
  468    H    LYS  62           H        LYS  62   3.038  -3.532 -11.717
  469    HA   LYS  62           HA       LYS  62   0.859  -4.766 -13.223
  470   1HB   LYS  62          1HB       LYS  62   3.580  -3.767 -14.086
  471   2HB   LYS  62          2HB       LYS  62   2.401  -4.492 -15.170
  472   1HG   LYS  62          1HG       LYS  62   1.478  -2.200 -13.548
  473   2HG   LYS  62          2HG       LYS  62   2.647  -1.860 -14.823
  474   1HD   LYS  62          1HD       LYS  62   0.492  -1.589 -15.781
  475   2HD   LYS  62          2HD       LYS  62   1.131  -3.114 -16.396
  476   1HE   LYS  62          1HE       LYS  62  -0.187  -4.339 -14.748
  477   2HE   LYS  62          2HE       LYS  62  -0.804  -2.820 -14.100
  478   1HZ   LYS  62          1HZ       LYS  62  -2.371  -3.882 -15.623
  479   2HZ   LYS  62          2HZ       LYS  62  -1.235  -3.793 -16.873
  480   3HZ   LYS  62          3HZ       LYS  62  -1.870  -2.376 -16.206
  481    H    GLY  63           H        GLY  63   0.930  -6.767 -12.022
  482   1HA   GLY  63          1HA       GLY  63   1.440  -9.021 -12.004
  483   2HA   GLY  63          2HA       GLY  63   2.630  -8.715 -13.261
  484    H    THR  64           H        THR  64   4.621  -7.555 -12.500
  485    HA   THR  64           HA       THR  64   5.344  -8.066  -9.732
  486    HB   THR  64           HB       THR  64   7.487  -9.147 -10.426
  487    HG1  THR  64           1HG      THR  64   6.437  -9.933 -12.862
  488   1HG2  THR  64          1HG2      THR  64   5.668 -10.524  -9.592
  489   2HG2  THR  64          2HG2      THR  64   6.514 -11.366 -10.890
  490   3HG2  THR  64          3HG2      THR  64   4.957 -10.601 -11.204
  491    H    GLU  65           H        GLU  65   4.896  -5.727 -11.488
  492    HA   GLU  65           HA       GLU  65   7.584  -4.541 -11.442
  493   1HB   GLU  65          1HB       GLU  65   5.135  -3.627 -12.951
  494   2HB   GLU  65          2HB       GLU  65   6.743  -2.937 -13.062
  495   1HG   GLU  65          1HG       GLU  65   7.589  -5.023 -13.995
  496   2HG   GLU  65          2HG       GLU  65   5.977  -5.727 -13.877
  497    H    LEU  66           H        LEU  66   7.898  -3.431  -9.610
  498    HA   LEU  66           HA       LEU  66   5.767  -2.252  -8.115
  499   1HB   LEU  66          1HB       LEU  66   8.765  -2.016  -7.901
  500   2HB   LEU  66          2HB       LEU  66   7.662  -1.204  -6.807
  501    HG   LEU  66           HG       LEU  66   7.811  -4.196  -7.168
  502   1HD1  LEU  66          1HD1      LEU  66   8.937  -2.425  -5.006
  503   2HD1  LEU  66          2HD1      LEU  66   9.857  -3.377  -6.171
  504   3HD1  LEU  66          3HD1      LEU  66   8.876  -4.186  -4.949
  505   1HD2  LEU  66          1HD2      LEU  66   6.335  -2.460  -5.194
  506   2HD2  LEU  66          2HD2      LEU  66   6.463  -4.216  -5.099
  507   3HD2  LEU  66          3HD2      LEU  66   5.621  -3.466  -6.456
  508    H    TYR  67           H        TYR  67   4.961  -0.241  -8.183
  509    HA   TYR  67           HA       TYR  67   6.317   1.723  -9.912
  510   1HB   TYR  67          1HB       TYR  67   3.422   0.996  -9.669
  511   2HB   TYR  67          2HB       TYR  67   3.865   2.638 -10.124
  512    HD1  TYR  67           1HD      TYR  67   4.245  -0.920 -11.106
  513    HD2  TYR  67           2HD      TYR  67   4.515   3.145 -12.327
  514    HE1  TYR  67           1HE      TYR  67   4.526  -1.646 -13.438
  515    HE2  TYR  67           2HE      TYR  67   4.796   2.432 -14.664
  516    HH   TYR  67           HH       TYR  67   5.531   0.460 -15.912
  517    H    VAL  68           H        VAL  68   5.474   4.030  -9.405
  518    HA   VAL  68           HA       VAL  68   4.885   4.447  -6.588
  519    HB   VAL  68           HB       VAL  68   6.778   6.102  -6.394
  520   1HG1  VAL  68          1HG1      VAL  68   6.807   3.909  -5.297
  521   2HG1  VAL  68          2HG1      VAL  68   8.421   4.417  -5.790
  522   3HG1  VAL  68          3HG1      VAL  68   7.552   3.208  -6.733
  523   1HG2  VAL  68          1HG2      VAL  68   8.712   5.782  -7.861
  524   2HG2  VAL  68          2HG2      VAL  68   7.295   6.319  -8.765
  525   3HG2  VAL  68          3HG2      VAL  68   7.788   4.627  -8.823
  526    H    GLU  69           H        GLU  69   4.916   5.469  -9.846
  527    HA   GLU  69           HA       GLU  69   4.481   8.214  -9.599
  528   1HB   GLU  69          1HB       GLU  69   3.449   6.296 -11.693
  529   2HB   GLU  69          2HB       GLU  69   3.385   8.048 -11.830
  530   1HG   GLU  69          1HG       GLU  69   5.827   8.141 -11.724
  531   2HG   GLU  69          2HG       GLU  69   5.882   6.382 -11.604
  532    HA   PRO  70           HA       PRO  70  -0.311   7.236  -9.544
  533   1HB   PRO  70          1HB       PRO  70  -0.929   4.821  -8.377
  534   2HB   PRO  70          2HB       PRO  70  -0.876   5.105 -10.120
  535   1HG   PRO  70          1HG       PRO  70   1.191   3.889  -8.336
  536   2HG   PRO  70          2HG       PRO  70   0.688   3.401  -9.964
  537   1HD   PRO  70          1HD       PRO  70   2.949   4.779  -9.546
  538   2HD   PRO  70          2HD       PRO  70   1.946   5.054 -10.984
  539    H    VAL  71           H        VAL  71   1.840   5.923  -7.071
  540    HA   VAL  71           HA       VAL  71   0.113   6.532  -4.876
  541    HB   VAL  71           HB       VAL  71   3.098   6.064  -4.837
  542   1HG1  VAL  71          1HG1      VAL  71   1.033   5.835  -2.649
  543   2HG1  VAL  71          2HG1      VAL  71   2.248   7.102  -2.800
  544   3HG1  VAL  71          3HG1      VAL  71   2.745   5.439  -2.502
  545   1HG2  VAL  71          1HG2      VAL  71   0.839   4.095  -4.495
  546   2HG2  VAL  71          2HG2      VAL  71   2.558   3.743  -4.303
  547   3HG2  VAL  71          3HG2      VAL  71   1.921   4.199  -5.884
  548    H    TYR  72           H        TYR  72   3.017   8.089  -6.210
  549    HA   TYR  72           HA       TYR  72   3.255  10.170  -4.399
  550   1HB   TYR  72          1HB       TYR  72   3.853  10.113  -7.360
  551   2HB   TYR  72          2HB       TYR  72   4.327  11.430  -6.300
  552    HD1  TYR  72           1HD      TYR  72   6.472  10.418  -7.690
  553    HD2  TYR  72           2HD      TYR  72   4.651   8.679  -4.258
  554    HE1  TYR  72           1HE      TYR  72   8.570   9.249  -7.173
  555    HE2  TYR  72           2HE      TYR  72   6.745   7.507  -3.734
  556    HH   TYR  72           HH       TYR  72   9.699   8.247  -5.257
  557    H    LYS  73           H        LYS  73   0.904   9.673  -6.877
  558    HA   LYS  73           HA       LYS  73   0.047  12.434  -6.915
  559   1HB   LYS  73          1HB       LYS  73  -0.873   9.951  -8.333
  560   2HB   LYS  73          2HB       LYS  73  -1.796  11.446  -8.409
  561   1HG   LYS  73          1HG       LYS  73   1.072  11.113  -9.269
  562   2HG   LYS  73          2HG       LYS  73  -0.328  11.183 -10.342
  563   1HD   LYS  73          1HD       LYS  73  -0.776  13.444  -9.738
  564   2HD   LYS  73          2HD       LYS  73   0.393  13.388  -8.419
  565   1HE   LYS  73          1HE       LYS  73   1.403  14.586 -10.203
  566   2HE   LYS  73          2HE       LYS  73   2.174  13.002 -10.134
  567   1HZ   LYS  73          1HZ       LYS  73   1.668  13.631 -12.406
  568   2HZ   LYS  73          2HZ       LYS  73   0.029  13.801 -12.028
  569   3HZ   LYS  73          3HZ       LYS  73   0.759  12.276 -11.958
  570    H    MET  74           H        MET  74  -1.101   9.386  -5.504
  571    HA   MET  74           HA       MET  74  -3.599  10.537  -4.702
  572   1HB   MET  74          1HB       MET  74  -3.997   8.466  -3.512
  573   2HB   MET  74          2HB       MET  74  -3.387   8.121  -5.126
  574   1HG   MET  74          1HG       MET  74  -1.123   7.854  -4.095
  575   2HG   MET  74          2HG       MET  74  -1.906   7.934  -2.521
  576   1HE   MET  74          1HE       MET  74  -3.911   6.248  -1.846
  577   2HE   MET  74          2HE       MET  74  -4.325   4.805  -2.771
  578   3HE   MET  74          3HE       MET  74  -4.718   6.404  -3.406
  579    H    ILE  75           H        ILE  75  -0.481   9.907  -3.163
  580    HA   ILE  75           HA       ILE  75  -1.082  10.432  -0.524
  581    HB   ILE  75           HB       ILE  75   1.404  11.276  -2.030
  582   1HG1  ILE  75          1HG1      ILE  75   0.932   8.826  -0.322
  583   2HG1  ILE  75          2HG1      ILE  75   0.826   8.832  -2.080
  584   1HG2  ILE  75          1HG2      ILE  75   1.028  10.902   0.937
  585   2HG2  ILE  75          2HG2      ILE  75   1.131  12.458   0.117
  586   3HG2  ILE  75          3HG2      ILE  75   2.516  11.366   0.114
  587   1HD1  ILE  75          1HD1      ILE  75   3.276   9.490  -0.462
  588   2HD1  ILE  75          2HD1      ILE  75   3.170   9.479  -2.223
  589   3HD1  ILE  75          3HD1      ILE  75   2.968   7.979  -1.317
  590    H    GLU  76           H        GLU  76  -1.056  12.564  -3.224
  591    HA   GLU  76           HA       GLU  76  -0.676  15.041  -1.980
  592   1HB   GLU  76          1HB       GLU  76  -2.441  14.409  -4.353
  593   2HB   GLU  76          2HB       GLU  76  -1.850  16.004  -3.909
  594   1HG   GLU  76          1HG       GLU  76   0.456  15.230  -4.275
  595   2HG   GLU  76          2HG       GLU  76  -0.170  13.659  -4.773
  596    H    VAL  77           H        VAL  77  -3.786  13.496  -2.839
  597    HA   VAL  77           HA       VAL  77  -5.212  15.339  -1.095
  598    HB   VAL  77           HB       VAL  77  -6.354  13.048  -2.699
  599   1HG1  VAL  77          1HG1      VAL  77  -7.797  13.963  -0.927
  600   2HG1  VAL  77          2HG1      VAL  77  -8.441  14.273  -2.540
  601   3HG1  VAL  77          3HG1      VAL  77  -7.642  15.566  -1.647
  602   1HG2  VAL  77          1HG2      VAL  77  -5.135  14.518  -4.196
  603   2HG2  VAL  77          2HG2      VAL  77  -5.957  15.925  -3.522
  604   3HG2  VAL  77          3HG2      VAL  77  -6.871  14.719  -4.428
  605    H    VAL  78           H        VAL  78  -4.026  12.117  -1.091
  606    HA   VAL  78           HA       VAL  78  -5.715  10.986   0.862
  607    HB   VAL  78           HB       VAL  78  -2.971  10.242  -0.155
  608   1HG1  VAL  78          1HG1      VAL  78  -3.086   9.483   2.163
  609   2HG1  VAL  78          2HG1      VAL  78  -3.197   8.116   1.057
  610   3HG1  VAL  78          3HG1      VAL  78  -4.647   8.725   1.853
  611   1HG2  VAL  78          1HG2      VAL  78  -4.157   8.415  -1.210
  612   2HG2  VAL  78          2HG2      VAL  78  -4.899   9.951  -1.652
  613   3HG2  VAL  78          3HG2      VAL  78  -5.665   8.917  -0.446
  614    H    HIS  79           H        HIS  79  -3.475  13.428   1.114
  615    HA   HIS  79           HA       HIS  79  -3.451  13.194   4.019
  616   1HB   HIS  79          1HB       HIS  79  -0.949  13.586   2.362
  617   2HB   HIS  79          2HB       HIS  79  -1.033  13.810   4.104
  618    HD1  HIS  79           1HD      HIS  79  -1.226  11.679   5.569
  619    HD2  HIS  79           2HD      HIS  79  -0.896  10.927   1.496
  620    HE1  HIS  79           1HE      HIS  79  -0.720   9.223   5.378
  621    HE2  HIS  79           2HE      HIS  79  -0.553   8.785   2.902
  622    H    ALA  80           H        ALA  80  -5.099  14.845   2.725
  623    HA   ALA  80           HA       ALA  80  -4.122  17.385   2.033
  624   1HB   ALA  80          1HB       ALA  80  -6.831  16.685   3.162
  625   2HB   ALA  80          2HB       ALA  80  -6.375  16.590   1.461
  626   3HB   ALA  80          3HB       ALA  80  -6.415  18.152   2.278
  627    H    GLY  81           H        GLY  81  -3.366  19.024   3.207
  628   1HA   GLY  81          1HA       GLY  81  -4.097  20.273   5.387
  629   2HA   GLY  81          2HA       GLY  81  -3.479  18.805   6.129
  630    H    ASN  82           H        ASN  82  -1.201  18.223   5.547
  631    HA   ASN  82           HA       ASN  82   0.422  20.673   5.504
  632   1HB   ASN  82          1HB       ASN  82   1.066  17.902   6.534
  633   2HB   ASN  82          2HB       ASN  82   2.198  19.250   6.519
  634   1HD2  ASN  82          1HD2      ASN  82   2.431  19.308   8.723
  635   2HD2  ASN  82          2HD2      ASN  82   1.177  19.839   9.789
  636    H    ALA  83           H        ALA  83   1.960  21.002   4.000
  637    HA   ALA  83           HA       ALA  83   1.837  19.523   1.575
  638   1HB   ALA  83          1HB       ALA  83   2.276  21.927   1.619
  639   2HB   ALA  83          2HB       ALA  83   3.562  21.055   0.784
  640   3HB   ALA  83          3HB       ALA  83   3.813  21.634   2.430
  641    H    ASP  84           H        ASP  84   3.936  19.412   4.369
  642    HA   ASP  84           HA       ASP  84   5.934  17.821   3.008
  643   1HB   ASP  84          1HB       ASP  84   5.677  18.416   5.962
  644   2HB   ASP  84          2HB       ASP  84   7.080  17.731   5.140
  645    H    ASP  85           H        ASP  85   3.073  17.299   4.899
  646    HA   ASP  85           HA       ASP  85   3.574  14.697   5.822
  647   1HB   ASP  85          1HB       ASP  85   1.592  16.203   6.406
  648   2HB   ASP  85          2HB       ASP  85   0.881  15.696   4.878
  649    H    ILE  86           H        ILE  86   2.835  16.019   2.747
  650    HA   ILE  86           HA       ILE  86   2.212  13.498   1.478
  651    HB   ILE  86           HB       ILE  86   2.714  16.243   0.302
  652   1HG1  ILE  86          1HG1      ILE  86   0.085  14.801   0.684
  653   2HG1  ILE  86          2HG1      ILE  86   0.717  15.985   1.824
  654   1HG2  ILE  86          1HG2      ILE  86   1.731  15.381  -1.745
  655   2HG2  ILE  86          2HG2      ILE  86   1.531  13.794  -1.004
  656   3HG2  ILE  86          3HG2      ILE  86   3.149  14.431  -1.299
  657   1HD1  ILE  86          1HD1      ILE  86   0.118  16.539  -1.072
  658   2HD1  ILE  86          2HD1      ILE  86   0.622  17.710   0.147
  659   3HD1  ILE  86          3HD1      ILE  86  -0.950  16.919   0.279
  660    H    GLN  87           H        GLN  87   4.921  15.582   2.041
  661    HA   GLN  87           HA       GLN  87   6.638  14.344   0.092
  662   1HB   GLN  87          1HB       GLN  87   7.212  16.280   2.332
  663   2HB   GLN  87          2HB       GLN  87   8.413  15.729   1.174
  664   1HG   GLN  87          1HG       GLN  87   6.933  16.658  -0.630
  665   2HG   GLN  87          2HG       GLN  87   5.971  17.383   0.654
  666   1HE2  GLN  87          1HE2      GLN  87   7.517  18.643  -1.485
  667   2HE2  GLN  87          2HE2      GLN  87   8.642  19.694  -0.702
  668    H    LEU  88           H        LEU  88   5.679  13.739   3.312
  669    HA   LEU  88           HA       LEU  88   8.024  12.280   4.098
  670   1HB   LEU  88          1HB       LEU  88   6.657  13.368   5.783
  671   2HB   LEU  88          2HB       LEU  88   5.259  12.428   5.300
  672    HG   LEU  88           HG       LEU  88   6.399  10.374   6.067
  673   1HD1  LEU  88          1HD1      LEU  88   8.425  10.567   7.430
  674   2HD1  LEU  88          2HD1      LEU  88   8.518  12.284   7.038
  675   3HD1  LEU  88          3HD1      LEU  88   8.704  11.078   5.765
  676   1HD2  LEU  88          1HD2      LEU  88   6.198  10.821   8.458
  677   2HD2  LEU  88          2HD2      LEU  88   4.880  11.568   7.556
  678   3HD2  LEU  88          3HD2      LEU  88   6.219  12.556   8.140
  679    H    VAL  89           H        VAL  89   4.662  11.346   3.351
  680    HA   VAL  89           HA       VAL  89   5.009   8.588   3.429
  681    HB   VAL  89           HB       VAL  89   3.160  10.056   1.544
  682   1HG1  VAL  89          1HG1      VAL  89   1.745   8.051   1.825
  683   2HG1  VAL  89          2HG1      VAL  89   3.031   7.306   2.775
  684   3HG1  VAL  89          3HG1      VAL  89   3.300   7.692   1.076
  685   1HG2  VAL  89          1HG2      VAL  89   2.595   9.214   4.382
  686   2HG2  VAL  89          2HG2      VAL  89   1.521  10.091   3.294
  687   3HG2  VAL  89          3HG2      VAL  89   2.990  10.861   3.893
  688    H    LYS  90           H        LYS  90   5.619  10.896   0.857
  689    HA   LYS  90           HA       LYS  90   6.058   9.092  -1.247
  690   1HB   LYS  90          1HB       LYS  90   6.588  11.927  -0.696
  691   2HB   LYS  90          2HB       LYS  90   7.736  11.191  -1.807
  692   1HG   LYS  90          1HG       LYS  90   6.157  10.837  -3.421
  693   2HG   LYS  90          2HG       LYS  90   4.832  10.743  -2.262
  694   1HD   LYS  90          1HD       LYS  90   4.587  13.018  -2.150
  695   2HD   LYS  90          2HD       LYS  90   6.275  13.329  -2.568
  696   1HE   LYS  90          1HE       LYS  90   4.157  12.317  -4.462
  697   2HE   LYS  90          2HE       LYS  90   4.723  13.983  -4.363
  698   1HZ   LYS  90          1HZ       LYS  90   6.434  11.649  -5.029
  699   2HZ   LYS  90          2HZ       LYS  90   6.912  13.271  -5.020
  700   3HZ   LYS  90          3HZ       LYS  90   5.787  12.728  -6.160
  701    H    GLY  91           H        GLY  91   8.070  10.133   1.402
  702   1HA   GLY  91          1HA       GLY  91  10.491   9.012   0.275
  703   2HA   GLY  91          2HA       GLY  91  10.310   9.717   1.875
  704    H    ILE  92           H        ILE  92   7.907   7.951   2.322
  705    HA   ILE  92           HA       ILE  92   9.326   5.788   3.540
  706    HB   ILE  92           HB       ILE  92   6.343   6.144   3.228
  707   1HG1  ILE  92          1HG1      ILE  92   7.305   8.048   4.399
  708   2HG1  ILE  92          2HG1      ILE  92   6.428   7.032   5.537
  709   1HG2  ILE  92          1HG2      ILE  92   6.935   3.860   3.755
  710   2HG2  ILE  92          2HG2      ILE  92   6.205   4.630   5.164
  711   3HG2  ILE  92          3HG2      ILE  92   7.951   4.403   5.091
  712   1HD1  ILE  92          1HD1      ILE  92   8.479   7.784   6.532
  713   2HD1  ILE  92          2HD1      ILE  92   9.411   7.160   5.171
  714   3HD1  ILE  92          3HD1      ILE  92   8.572   6.046   6.252
  715    H    ALA  93           H        ALA  93   7.197   6.136   0.743
  716    HA   ALA  93           HA       ALA  93   6.876   3.440   0.101
  717   1HB   ALA  93          1HB       ALA  93   7.017   5.795  -1.780
  718   2HB   ALA  93          2HB       ALA  93   5.575   5.225  -0.941
  719   3HB   ALA  93          3HB       ALA  93   6.346   4.208  -2.157
  720    H    ASN  94           H        ASN  94   9.608   5.521  -0.215
  721    HA   ASN  94           HA       ASN  94  10.974   3.999  -2.221
  722   1HB   ASN  94          1HB       ASN  94  11.367   6.446  -1.714
  723   2HB   ASN  94          2HB       ASN  94  12.191   5.936  -0.244
  724   1HD2  ASN  94          1HD2      ASN  94  13.200   7.389  -2.563
  725   2HD2  ASN  94          2HD2      ASN  94  14.528   6.462  -3.164
  726    H    GLU  95           H        GLU  95  10.965   4.112   1.298
  727    HA   GLU  95           HA       GLU  95  13.202   2.541   1.833
  728   1HB   GLU  95          1HB       GLU  95  11.622   3.834   3.436
  729   2HB   GLU  95          2HB       GLU  95  10.683   2.348   3.471
  730   1HG   GLU  95          1HG       GLU  95  13.608   2.471   4.154
  731   2HG   GLU  95          2HG       GLU  95  12.321   2.660   5.343
  732    H    CYS  96           H        CYS  96  10.045   1.680   0.696
  733    HA   CYS  96           HA       CYS  96  10.321  -1.136   1.245
  734   1HB   CYS  96          1HB       CYS  96   8.291   0.516  -0.247
  735   2HB   CYS  96          2HB       CYS  96   8.236  -1.244  -0.225
  736    H    ILE  97           H        ILE  97  11.014   1.021  -1.403
  737    HA   ILE  97           HA       ILE  97  11.194  -1.006  -3.414
  738    HB   ILE  97           HB       ILE  97  12.494   1.719  -3.451
  739   1HG1  ILE  97          1HG1      ILE  97   9.756   0.965  -4.487
  740   2HG1  ILE  97          2HG1      ILE  97  10.035   1.794  -2.959
  741   1HG2  ILE  97          1HG2      ILE  97  11.642  -0.135  -5.672
  742   2HG2  ILE  97          2HG2      ILE  97  13.300   0.197  -5.169
  743   3HG2  ILE  97          3HG2      ILE  97  12.322   1.479  -5.885
  744   1HD1  ILE  97          1HD1      ILE  97  11.132   3.625  -4.226
  745   2HD1  ILE  97          2HD1      ILE  97   9.424   3.406  -4.604
  746   3HD1  ILE  97          3HD1      ILE  97  10.656   2.812  -5.717
  747    H    GLU  98           H        GLU  98  13.275   0.148  -0.932
  748    HA   GLU  98           HA       GLU  98  15.737  -0.672  -2.151
  749   1HB   GLU  98          1HB       GLU  98  15.113  -0.029   0.735
  750   2HB   GLU  98          2HB       GLU  98  16.723  -0.235   0.061
  751   1HG   GLU  98          1HG       GLU  98  14.747   1.912  -0.672
  752   2HG   GLU  98          2HG       GLU  98  16.193   2.110   0.316
  753    H    ASN  99           H        ASN  99  13.335  -2.170  -0.103
  754    HA   ASN  99           HA       ASN  99  15.071  -4.479   0.333
  755   1HB   ASN  99          1HB       ASN  99  13.680  -5.096   2.083
  756   2HB   ASN  99          2HB       ASN  99  13.599  -3.342   2.150
  757   1HD2  ASN  99          1HD2      ASN  99  11.720  -2.298   1.508
  758   2HD2  ASN  99          2HD2      ASN  99  10.216  -3.134   1.355
  759    H    ALA 100           H        ALA 100  11.981  -3.609  -1.154
  760    HA   ALA 100           HA       ALA 100  11.442  -6.284  -2.054
  761   1HB   ALA 100          1HB       ALA 100   9.619  -4.729  -1.568
  762   2HB   ALA 100          2HB       ALA 100   9.553  -5.292  -3.239
  763   3HB   ALA 100          3HB       ALA 100  10.162  -3.678  -2.876
  764    H    LYS 101           H        LYS 101  12.540  -3.276  -3.566
  765    HA   LYS 101           HA       LYS 101  13.612  -2.821  -5.497
  766   1HB   LYS 101          1HB       LYS 101  15.291  -4.324  -4.560
  767   2HB   LYS 101          2HB       LYS 101  14.477  -5.707  -5.275
  768   1HG   LYS 101          1HG       LYS 101  14.865  -4.615  -7.517
  769   2HG   LYS 101          2HG       LYS 101  15.916  -3.478  -6.669
  770   1HD   LYS 101          1HD       LYS 101  17.314  -5.196  -7.539
  771   2HD   LYS 101          2HD       LYS 101  17.185  -5.472  -5.801
  772   1HE   LYS 101          1HE       LYS 101  15.393  -7.136  -6.253
  773   2HE   LYS 101          2HE       LYS 101  15.683  -6.917  -7.979
  774   1HZ   LYS 101          1HZ       LYS 101  17.962  -7.668  -7.649
  775   2HZ   LYS 101          2HZ       LYS 101  16.858  -8.844  -7.145
  776   3HZ   LYS 101          3HZ       LYS 101  17.666  -7.900  -6.000
  777    H    GLY 102           H        GLY 102  12.922  -6.214  -6.290
  778   1HA   GLY 102          1HA       GLY 102  10.624  -5.779  -7.829
  779   2HA   GLY 102          2HA       GLY 102  12.023  -5.641  -8.886
  780    H    GLU 103           H        GLU 103  10.820  -7.783  -6.310
  781    HA   GLU 103           HA       GLU 103  12.237 -10.062  -7.106
  782   1HB   GLU 103          1HB       GLU 103   9.896  -9.503  -5.371
  783   2HB   GLU 103          2HB       GLU 103  10.131 -11.170  -5.875
  784   1HG   GLU 103          1HG       GLU 103  12.154  -9.458  -4.446
  785   2HG   GLU 103          2HG       GLU 103  11.154 -10.708  -3.708
  786    H    THR 104           H        THR 104  11.191 -12.123  -7.863
  787    HA   THR 104           HA       THR 104   9.757 -11.557 -10.331
  788    HB   THR 104           HB       THR 104  11.706 -13.000 -10.492
  789    HG1  THR 104           1HG      THR 104   9.883 -14.966 -10.953
  790   1HG2  THR 104          1HG2      THR 104  11.673 -13.967  -8.253
  791   2HG2  THR 104          2HG2      THR 104  11.710 -15.239  -9.474
  792   3HG2  THR 104          3HG2      THR 104  10.201 -14.856  -8.643
  793    H    ASP 105           H        ASP 105   9.118 -12.824  -7.196
  794    HA   ASP 105           HA       ASP 105   6.656 -14.119  -8.097
  795   1HB   ASP 105          1HB       ASP 105   8.107 -15.304  -6.466
  796   2HB   ASP 105          2HB       ASP 105   7.833 -14.000  -5.315
  797    H    GLU 106           H        GLU 106   4.621 -13.457  -7.484
  798    HA   GLU 106           HA       GLU 106   4.244 -10.688  -7.102
  799   1HB   GLU 106          1HB       GLU 106   2.566 -11.895  -8.277
  800   2HB   GLU 106          2HB       GLU 106   2.350 -13.025  -6.948
  801   1HG   GLU 106          1HG       GLU 106   0.532 -11.344  -7.191
  802   2HG   GLU 106          2HG       GLU 106   1.297 -11.378  -5.607
  803    H    CYS 107           H        CYS 107   3.071 -13.277  -4.942
  804    HA   CYS 107           HA       CYS 107   2.489 -11.698  -2.772
  805   1HB   CYS 107          1HB       CYS 107   3.268 -14.575  -3.025
  806   2HB   CYS 107          2HB       CYS 107   3.075 -13.869  -1.424
  807    H    ASN 108           H        ASN 108   5.608 -12.652  -3.913
  808    HA   ASN 108           HA       ASN 108   6.993 -12.114  -1.456
  809   1HB   ASN 108          1HB       ASN 108   7.836 -13.652  -3.270
  810   2HB   ASN 108          2HB       ASN 108   8.164 -12.221  -4.241
  811   1HD2  ASN 108          1HD2      ASN 108   9.958 -14.274  -3.151
  812   2HD2  ASN 108          2HD2      ASN 108  11.138 -13.417  -2.226
  813    H    ILE 109           H        ILE 109   6.632 -10.413  -4.562
  814    HA   ILE 109           HA       ILE 109   8.090  -8.128  -3.945
  815    HB   ILE 109           HB       ILE 109   6.069  -8.860  -5.942
  816   1HG1  ILE 109          1HG1      ILE 109   8.517  -7.088  -6.037
  817   2HG1  ILE 109          2HG1      ILE 109   8.495  -8.817  -6.353
  818   1HG2  ILE 109          1HG2      ILE 109   4.888  -6.935  -5.113
  819   2HG2  ILE 109          2HG2      ILE 109   5.639  -6.522  -6.654
  820   3HG2  ILE 109          3HG2      ILE 109   6.362  -5.969  -5.145
  821   1HD1  ILE 109          1HD1      ILE 109   7.035  -8.436  -8.277
  822   2HD1  ILE 109          2HD1      ILE 109   8.567  -7.574  -8.418
  823   3HD1  ILE 109          3HD1      ILE 109   7.102  -6.701  -7.967
  824    H    GLY 110           H        GLY 110   4.666  -8.861  -3.379
  825   1HA   GLY 110          1HA       GLY 110   3.993  -6.311  -2.333
  826   2HA   GLY 110          2HA       GLY 110   3.058  -7.784  -2.147
  827    H    ASN 111           H        ASN 111   4.685  -9.413  -0.710
  828    HA   ASN 111           HA       ASN 111   4.328  -8.538   1.900
  829   1HB   ASN 111          1HB       ASN 111   4.565 -10.869   1.550
  830   2HB   ASN 111          2HB       ASN 111   6.118 -10.673   0.741
  831   1HD2  ASN 111          1HD2      ASN 111   5.298  -8.926   3.639
  832   2HD2  ASN 111          2HD2      ASN 111   6.352  -9.792   4.693
  833    H    LYS 112           H        LYS 112   7.063  -8.143  -0.253
  834    HA   LYS 112           HA       LYS 112   8.826  -7.163   1.782
  835   1HB   LYS 112          1HB       LYS 112   8.949  -7.102  -1.232
  836   2HB   LYS 112          2HB       LYS 112  10.217  -6.443  -0.209
  837   1HG   LYS 112          1HG       LYS 112   9.290  -9.304  -0.102
  838   2HG   LYS 112          2HG       LYS 112  10.654  -8.739  -1.068
  839   1HD   LYS 112          1HD       LYS 112  11.717  -7.895   1.005
  840   2HD   LYS 112          2HD       LYS 112  10.381  -8.580   1.934
  841   1HE   LYS 112          1HE       LYS 112  10.948 -10.808   1.130
  842   2HE   LYS 112          2HE       LYS 112  12.256 -10.138   0.157
  843   1HZ   LYS 112          1HZ       LYS 112  12.082 -10.049   3.121
  844   2HZ   LYS 112          2HZ       LYS 112  13.333  -9.393   2.192
  845   3HZ   LYS 112          3HZ       LYS 112  13.088 -11.066   2.219
  846    H    TYR 113           H        TYR 113   6.527  -5.759  -0.442
  847    HA   TYR 113           HA       TYR 113   7.418  -3.044   0.069
  848   1HB   TYR 113          1HB       TYR 113   6.254  -4.212  -2.077
  849   2HB   TYR 113          2HB       TYR 113   4.837  -3.520  -1.297
  850    HD1  TYR 113           1HD      TYR 113   4.413  -1.185  -1.381
  851    HD2  TYR 113           2HD      TYR 113   8.126  -2.719  -2.777
  852    HE1  TYR 113           1HE      TYR 113   4.927   0.997  -2.392
  853    HE2  TYR 113           2HE      TYR 113   8.653  -0.543  -3.791
  854    HH   TYR 113           HH       TYR 113   7.458   1.447  -4.605
  855    H    THR 114           H        THR 114   4.228  -4.610   0.314
  856    HA   THR 114           HA       THR 114   2.887  -2.762   1.799
  857    HB   THR 114           HB       THR 114   1.412  -4.543   2.561
  858    HG1  THR 114           1HG      THR 114   2.357  -6.742   1.635
  859   1HG2  THR 114          1HG2      THR 114   2.444  -5.085  -0.226
  860   2HG2  THR 114          2HG2      THR 114   1.260  -3.854   0.214
  861   3HG2  THR 114          3HG2      THR 114   0.869  -5.562   0.410
  862    H    ASP 115           H        ASP 115   4.977  -5.333   3.065
  863    HA   ASP 115           HA       ASP 115   4.547  -5.210   5.749
  864   1HB   ASP 115          1HB       ASP 115   6.155  -6.733   4.705
  865   2HB   ASP 115          2HB       ASP 115   7.241  -5.379   4.378
  866    H    CYS 116           H        CYS 116   7.104  -3.308   4.160
  867    HA   CYS 116           HA       CYS 116   7.637  -1.739   6.444
  868   1HB   CYS 116          1HB       CYS 116   8.744  -0.246   4.553
  869   2HB   CYS 116          2HB       CYS 116   9.450  -1.782   5.049
  870    H    TYR 117           H        TYR 117   5.457  -1.300   3.737
  871    HA   TYR 117           HA       TYR 117   5.003   1.421   3.851
  872   1HB   TYR 117          1HB       TYR 117   4.023  -0.399   2.270
  873   2HB   TYR 117          2HB       TYR 117   2.728  -0.503   3.456
  874    HD1  TYR 117           1HD      TYR 117   0.994   0.227   1.980
  875    HD2  TYR 117           2HD      TYR 117   4.422   2.675   2.604
  876    HE1  TYR 117           1HE      TYR 117  -0.152   2.109   0.887
  877    HE2  TYR 117           2HE      TYR 117   3.281   4.561   1.518
  878    HH   TYR 117           HH       TYR 117   1.451   4.912  -0.108
  879    H    ILE 118           H        ILE 118   3.314  -1.128   5.667
  880    HA   ILE 118           HA       ILE 118   1.840   0.754   7.273
  881    HB   ILE 118           HB       ILE 118   2.236  -2.208   7.730
  882   1HG1  ILE 118          1HG1      ILE 118  -0.013  -0.806   6.271
  883   2HG1  ILE 118          2HG1      ILE 118   1.305  -1.660   5.477
  884   1HG2  ILE 118          1HG2      ILE 118   0.133  -2.036   8.989
  885   2HG2  ILE 118          2HG2      ILE 118   0.131  -0.293   8.727
  886   3HG2  ILE 118          3HG2      ILE 118   1.408  -1.039   9.689
  887   1HD1  ILE 118          1HD1      ILE 118  -0.739  -2.877   7.320
  888   2HD1  ILE 118          2HD1      ILE 118   0.592  -3.739   6.547
  889   3HD1  ILE 118          3HD1      ILE 118  -0.689  -3.028   5.564
  890    H    GLU 119           H        GLU 119   4.962  -0.647   7.386
  891    HA   GLU 119           HA       GLU 119   5.357  -0.752  10.180
  892   1HB   GLU 119          1HB       GLU 119   6.819  -1.886   8.548
  893   2HB   GLU 119          2HB       GLU 119   7.404  -0.321   7.999
  894   1HG   GLU 119          1HG       GLU 119   9.021  -1.277   9.472
  895   2HG   GLU 119          2HG       GLU 119   8.274   0.102  10.275
  896    H    LYS 120           H        LYS 120   6.543   1.695   7.847
  897    HA   LYS 120           HA       LYS 120   7.089   3.514  10.036
  898   1HB   LYS 120          1HB       LYS 120   7.480   3.787   7.059
  899   2HB   LYS 120          2HB       LYS 120   7.965   4.997   8.242
  900   1HG   LYS 120          1HG       LYS 120   9.365   3.178   9.318
  901   2HG   LYS 120          2HG       LYS 120   9.060   2.230   7.862
  902   1HD   LYS 120          1HD       LYS 120  10.067   3.963   6.491
  903   2HD   LYS 120          2HD       LYS 120  10.310   4.975   7.916
  904   1HE   LYS 120          1HE       LYS 120  11.762   3.202   8.864
  905   2HE   LYS 120          2HE       LYS 120  11.588   2.300   7.360
  906   1HZ   LYS 120          1HZ       LYS 120  12.602   4.157   6.181
  907   2HZ   LYS 120          2HZ       LYS 120  13.637   3.570   7.384
  908   3HZ   LYS 120          3HZ       LYS 120  12.780   5.008   7.632
  909    H    LEU 121           H        LEU 121   5.137   3.699   7.043
  910    HA   LEU 121           HA       LEU 121   3.857   6.113   8.005
  911   1HB   LEU 121          1HB       LEU 121   4.554   5.319   5.545
  912   2HB   LEU 121          2HB       LEU 121   2.905   4.740   5.555
  913    HG   LEU 121           HG       LEU 121   3.201   6.972   4.523
  914   1HD1  LEU 121          1HD1      LEU 121   1.471   7.091   6.973
  915   2HD1  LEU 121          2HD1      LEU 121   1.054   6.190   5.517
  916   3HD1  LEU 121          3HD1      LEU 121   1.244   7.941   5.446
  917   1HD2  LEU 121          1HD2      LEU 121   3.734   7.916   7.331
  918   2HD2  LEU 121          2HD2      LEU 121   3.618   8.911   5.881
  919   3HD2  LEU 121          3HD2      LEU 121   4.955   7.779   6.068
  920    H    PHE 122           H        PHE 122   3.270   2.795   8.332
  921    HA   PHE 122           HA       PHE 122   1.532   1.649   9.247
  922   1HB   PHE 122          1HB       PHE 122   0.760   2.872  10.954
  923   2HB   PHE 122          2HB       PHE 122   1.083   4.373  10.098
  924    HD1  PHE 122           1HD      PHE 122  -1.420   1.741  10.702
  925    HD2  PHE 122           2HD      PHE 122  -0.657   5.593   9.063
  926    HE1  PHE 122           1HE      PHE 122  -3.839   2.124  10.481
  927    HE2  PHE 122           2HE      PHE 122  -3.068   5.986   8.849
  928    HZ   PHE 122           HZ       PHE 122  -4.672   4.232   9.538
  929    H    SER 123           H        SER 123   1.230   3.663   6.563
  930    HA   SER 123           HA       SER 123  -0.671   1.903   5.335
  931   1HB   SER 123          1HB       SER 123  -1.466   4.770   5.889
  932   2HB   SER 123          2HB       SER 123  -2.313   3.698   4.774
  933    HG   SER 123           HG       SER 123  -3.359   3.563   6.715
  934   1H4   TSD 124          1H4       TSP 124  -2.803   2.257  -1.150
  935   2H4   TSD 124          2H4       TSP 124  -1.955   0.858  -0.534
  936   3H4   TSD 124          3H4       TSP 124  -2.600   2.047   0.573
  937   1H5   TSD 124          1H5       TSP 124  -3.519  -1.643  -0.138
  938   2H5   TSD 124          2H5       TSP 124  -3.553  -1.085  -1.795
  939   3H5   TSD 124          3H5       TSP 124  -5.035  -1.570  -1.007
  940   1H6   TSD 124          1H6       TSP 124  -5.201   1.675  -2.267
  941   2H6   TSD 124          2H6       TSP 124  -5.906   2.361  -0.823
  942   3H6   TSD 124          3H6       TSP 124  -6.456   0.810  -1.411
  943   1D3   TSD 124          1D3       TSP 124  -4.131   0.116   2.043
  944   2D3   TSD 124          2D3       TSP 124  -5.042   1.590   1.780
  945   1D2   TSD 124          1D2       TSP 124  -6.122  -1.215   1.346
  946   2D2   TSD 124          2D2       TSP 124  -7.031   0.285   1.167
  Start of MODEL    9
    1    HA   ILE   1           HA       ILE   1  -0.485  14.678  10.433
    2    HB   ILE   1           HB       ILE   1  -0.545  12.801   8.833
    3   1HG1  ILE   1          1HG1      ILE   1   1.698  11.619  10.488
    4   2HG1  ILE   1          2HG1      ILE   1   0.039  11.035  10.525
    5   1HG2  ILE   1          1HG2      ILE   1   2.051  14.121   9.524
    6   2HG2  ILE   1          2HG2      ILE   1   0.940  14.465   8.197
    7   3HG2  ILE   1          3HG2      ILE   1   1.942  13.016   8.155
    8   1HD1  ILE   1          1HD1      ILE   1   1.842  11.061   8.116
    9   2HD1  ILE   1          2HD1      ILE   1   0.183  10.465   8.160
   10   3HD1  ILE   1          3HD1      ILE   1   1.437   9.653   9.100
   11    H    ASP   2           H        ASP   2  -2.629  14.107  10.255
   12    HA   ASP   2           HA       ASP   2  -3.733  12.684  12.482
   13   1HB   ASP   2          1HB       ASP   2  -4.776  14.716  11.482
   14   2HB   ASP   2          2HB       ASP   2  -5.149  13.774  10.042
   15    H    GLN   3           H        GLN   3  -4.815  10.752  12.511
   16    HA   GLN   3           HA       GLN   3  -3.972   8.766  10.675
   17   1HB   GLN   3          1HB       GLN   3  -4.538   8.410  13.104
   18   2HB   GLN   3          2HB       GLN   3  -6.233   8.569  12.662
   19   1HG   GLN   3          1HG       GLN   3  -6.136   6.609  11.303
   20   2HG   GLN   3          2HG       GLN   3  -4.387   6.509  11.486
   21   1HE2  GLN   3          1HE2      GLN   3  -6.623   7.267  14.094
   22   2HE2  GLN   3          2HE2      GLN   3  -6.359   5.814  14.985
   23    H    ASP   4           H        ASP   4  -6.263  11.111  10.323
   24    HA   ASP   4           HA       ASP   4  -8.259   9.554   8.939
   25   1HB   ASP   4          1HB       ASP   4  -8.917  11.542  10.210
   26   2HB   ASP   4          2HB       ASP   4  -7.922  12.550   9.163
   27    H    THR   5           H        THR   5  -6.033  12.170   7.959
   28    HA   THR   5           HA       THR   5  -6.471  12.142   5.240
   29    HB   THR   5           HB       THR   5  -5.017  13.775   6.416
   30    HG1  THR   5           1HG      THR   5  -3.581  13.971   4.656
   31   1HG2  THR   5          1HG2      THR   5  -2.986  11.538   6.333
   32   2HG2  THR   5          2HG2      THR   5  -3.716  12.231   7.782
   33   3HG2  THR   5          3HG2      THR   5  -2.653  13.214   6.776
   34    H    VAL   6           H        VAL   6  -4.745   9.834   7.162
   35    HA   VAL   6           HA       VAL   6  -3.543   8.545   4.861
   36    HB   VAL   6           HB       VAL   6  -3.551   7.782   7.783
   37   1HG1  VAL   6          1HG1      VAL   6  -1.768   6.194   7.172
   38   2HG1  VAL   6          2HG1      VAL   6  -2.051   6.557   5.470
   39   3HG1  VAL   6          3HG1      VAL   6  -3.316   5.789   6.431
   40   1HG2  VAL   6          1HG2      VAL   6  -1.399   8.989   6.048
   41   2HG2  VAL   6          2HG2      VAL   6  -1.221   8.520   7.738
   42   3HG2  VAL   6          3HG2      VAL   6  -2.317   9.829   7.298
   43    H    VAL   7           H        VAL   7  -5.628   7.351   7.500
   44    HA   VAL   7           HA       VAL   7  -6.366   4.982   6.188
   45    HB   VAL   7           HB       VAL   7  -7.822   6.445   8.389
   46   1HG1  VAL   7          1HG1      VAL   7  -8.026   3.572   7.488
   47   2HG1  VAL   7          2HG1      VAL   7  -9.262   4.814   7.294
   48   3HG1  VAL   7          3HG1      VAL   7  -8.814   4.263   8.907
   49   1HG2  VAL   7          1HG2      VAL   7  -5.514   5.915   8.972
   50   2HG2  VAL   7          2HG2      VAL   7  -5.772   4.234   8.509
   51   3HG2  VAL   7          3HG2      VAL   7  -6.639   4.912   9.889
   52    H    ALA   8           H        ALA   8  -8.349   7.899   6.753
   53    HA   ALA   8           HA       ALA   8 -10.597   7.130   5.354
   54   1HB   ALA   8          1HB       ALA   8 -10.432   9.131   6.787
   55   2HB   ALA   8          2HB       ALA   8 -11.189   9.460   5.228
   56   3HB   ALA   8          3HB       ALA   8  -9.515   9.935   5.513
   57    H    LYS   9           H        LYS   9  -7.548   8.278   4.063
   58    HA   LYS   9           HA       LYS   9  -8.702   8.658   1.418
   59   1HB   LYS   9          1HB       LYS   9  -6.035   9.184   2.651
   60   2HB   LYS   9          2HB       LYS   9  -6.136   9.012   0.904
   61   1HG   LYS   9          1HG       LYS   9  -6.267  11.342   1.527
   62   2HG   LYS   9          2HG       LYS   9  -7.798  10.812   0.831
   63   1HD   LYS   9          1HD       LYS   9  -8.661  10.500   3.152
   64   2HD   LYS   9          2HD       LYS   9  -7.164  11.220   3.751
   65   1HE   LYS   9          1HE       LYS   9  -8.929  12.885   3.655
   66   2HE   LYS   9          2HE       LYS   9  -7.658  13.268   2.497
   67   1HZ   LYS   9          1HZ       LYS   9  -9.855  13.563   1.537
   68   2HZ   LYS   9          2HZ       LYS   9 -10.238  11.946   1.851
   69   3HZ   LYS   9          3HZ       LYS   9  -9.020  12.325   0.740
   70    H    TYR  10           H        TYR  10  -6.010   6.689   2.726
   71    HA   TYR  10           HA       TYR  10  -5.568   5.119   0.506
   72   1HB   TYR  10          1HB       TYR  10  -5.183   4.676   3.434
   73   2HB   TYR  10          2HB       TYR  10  -4.975   3.311   2.344
   74    HD1  TYR  10           1HD      TYR  10  -3.435   3.824   0.243
   75    HD2  TYR  10           2HD      TYR  10  -3.331   5.973   3.913
   76    HE1  TYR  10           1HE      TYR  10  -1.145   4.562  -0.261
   77    HE2  TYR  10           2HE      TYR  10  -1.041   6.718   3.417
   78    HH   TYR  10           HH       TYR  10   0.384   6.357   0.343
   79    H    MET  11           H        MET  11  -8.284   5.102   2.593
   80    HA   MET  11           HA       MET  11  -9.134   2.424   1.893
   81   1HB   MET  11          1HB       MET  11  -9.636   3.315   4.118
   82   2HB   MET  11          2HB       MET  11 -10.544   4.636   3.399
   83   1HG   MET  11          1HG       MET  11 -12.009   2.906   4.278
   84   2HG   MET  11          2HG       MET  11 -12.182   3.083   2.533
   85   1HE   MET  11          1HE       MET  11 -13.230   0.538   4.262
   86   2HE   MET  11          2HE       MET  11 -12.817  -0.747   3.126
   87   3HE   MET  11          3HE       MET  11 -13.491   0.771   2.532
   88    H    GLU  12           H        GLU  12 -10.506   5.678   1.455
   89    HA   GLU  12           HA       GLU  12 -12.465   4.850  -0.427
   90   1HB   GLU  12          1HB       GLU  12 -12.812   6.801   0.955
   91   2HB   GLU  12          2HB       GLU  12 -11.384   7.578   0.285
   92   1HG   GLU  12          1HG       GLU  12 -12.515   7.555  -1.939
   93   2HG   GLU  12          2HG       GLU  12 -13.962   6.973  -1.126
   94    H    TYR  13           H        TYR  13  -9.161   5.760  -0.732
   95    HA   TYR  13           HA       TYR  13  -9.273   6.624  -3.458
   96   1HB   TYR  13          1HB       TYR  13  -7.523   7.201  -1.642
   97   2HB   TYR  13          2HB       TYR  13  -6.788   5.660  -2.070
   98    HD1  TYR  13           1HD      TYR  13  -7.474   9.081  -3.183
   99    HD2  TYR  13           2HD      TYR  13  -5.709   5.352  -4.221
  100    HE1  TYR  13           1HE      TYR  13  -6.298  10.164  -5.053
  101    HE2  TYR  13           2HE      TYR  13  -4.529   6.424  -6.091
  102    HH   TYR  13           HH       TYR  13  -4.268   9.774  -6.425
  103    H    LEU  14           H        LEU  14  -9.012   3.564  -1.871
  104    HA   LEU  14           HA       LEU  14  -8.670   2.287  -4.493
  105   1HB   LEU  14          1HB       LEU  14  -7.267   1.449  -1.957
  106   2HB   LEU  14          2HB       LEU  14  -7.203   0.597  -3.486
  107    HG   LEU  14           HG       LEU  14  -6.165   3.398  -3.045
  108   1HD1  LEU  14          1HD1      LEU  14  -4.855   1.764  -1.794
  109   2HD1  LEU  14          2HD1      LEU  14  -3.943   2.395  -3.166
  110   3HD1  LEU  14          3HD1      LEU  14  -4.666   0.790  -3.253
  111   1HD2  LEU  14          1HD2      LEU  14  -5.901   1.507  -5.381
  112   2HD2  LEU  14          2HD2      LEU  14  -5.099   3.072  -5.229
  113   3HD2  LEU  14          3HD2      LEU  14  -6.858   2.988  -5.339
  114    H    MET  15           H        MET  15 -10.873   2.759  -2.356
  115    HA   MET  15           HA       MET  15 -11.614   0.303  -1.254
  116   1HB   MET  15          1HB       MET  15 -12.597   2.741  -0.979
  117   2HB   MET  15          2HB       MET  15 -13.731   2.181  -2.198
  118   1HG   MET  15          1HG       MET  15 -13.215   0.787   0.415
  119   2HG   MET  15          2HG       MET  15 -14.533   1.920   0.127
  120   1HE   MET  15          1HE       MET  15 -16.646   0.026  -2.577
  121   2HE   MET  15          2HE       MET  15 -15.391   1.238  -2.833
  122   3HE   MET  15          3HE       MET  15 -16.567   1.445  -1.533
  123    HA   PRO  16           HA       PRO  16 -14.296  -0.509  -5.209
  124   1HB   PRO  16          1HB       PRO  16 -13.141   1.242  -7.266
  125   2HB   PRO  16          2HB       PRO  16 -14.834   1.007  -6.816
  126   1HG   PRO  16          1HG       PRO  16 -13.543   3.287  -6.248
  127   2HG   PRO  16          2HG       PRO  16 -14.745   2.597  -5.140
  128   1HD   PRO  16          1HD       PRO  16 -11.751   2.438  -5.013
  129   2HD   PRO  16          2HD       PRO  16 -12.910   2.802  -3.717
  130    H    ASP  17           H        ASP  17 -10.954  -0.126  -4.977
  131    HA   ASP  17           HA       ASP  17 -10.443  -2.001  -7.180
  132   1HB   ASP  17          1HB       ASP  17  -8.547  -0.226  -5.632
  133   2HB   ASP  17          2HB       ASP  17  -8.058  -1.348  -6.898
  134    H    ILE  18           H        ILE  18 -10.652  -1.772  -3.794
  135    HA   ILE  18           HA       ILE  18  -8.923  -4.057  -3.295
  136    HB   ILE  18           HB       ILE  18 -10.531  -2.265  -1.485
  137   1HG1  ILE  18          1HG1      ILE  18  -7.572  -2.883  -1.547
  138   2HG1  ILE  18          2HG1      ILE  18  -8.303  -1.524  -2.393
  139   1HG2  ILE  18          1HG2      ILE  18  -9.586  -3.569   0.412
  140   2HG2  ILE  18          2HG2      ILE  18  -9.044  -4.783  -0.748
  141   3HG2  ILE  18          3HG2      ILE  18 -10.767  -4.464  -0.545
  142   1HD1  ILE  18          1HD1      ILE  18  -9.066  -0.612  -0.263
  143   2HD1  ILE  18          2HD1      ILE  18  -7.318  -0.831  -0.288
  144   3HD1  ILE  18          3HD1      ILE  18  -8.338  -1.977   0.581
  145    H    MET  19           H        MET  19 -12.377  -3.241  -2.940
  146    HA   MET  19           HA       MET  19 -13.318  -5.607  -1.906
  147   1HB   MET  19          1HB       MET  19 -14.693  -3.884  -3.971
  148   2HB   MET  19          2HB       MET  19 -15.479  -5.076  -2.945
  149   1HG   MET  19          1HG       MET  19 -14.077  -2.582  -2.022
  150   2HG   MET  19          2HG       MET  19 -15.820  -2.835  -2.096
  151   1HE   MET  19          1HE       MET  19 -16.297  -5.670   0.596
  152   2HE   MET  19          2HE       MET  19 -16.005  -5.888  -1.128
  153   3HE   MET  19          3HE       MET  19 -17.110  -4.631  -0.574
  154    HA   PRO  20           HA       PRO  20 -13.907  -7.235  -6.561
  155   1HB   PRO  20          1HB       PRO  20 -11.345  -6.050  -7.533
  156   2HB   PRO  20          2HB       PRO  20 -12.844  -6.367  -8.415
  157   1HG   PRO  20          1HG       PRO  20 -12.234  -3.898  -7.676
  158   2HG   PRO  20          2HG       PRO  20 -13.903  -4.485  -7.549
  159   1HD   PRO  20          1HD       PRO  20 -11.863  -4.090  -5.405
  160   2HD   PRO  20          2HD       PRO  20 -13.618  -3.823  -5.360
  161    H    CYS  21           H        CYS  21 -10.522  -6.681  -5.531
  162    HA   CYS  21           HA       CYS  21  -9.811  -9.398  -6.129
  163   1HB   CYS  21          1HB       CYS  21  -8.412  -6.996  -5.748
  164   2HB   CYS  21          2HB       CYS  21  -7.878  -8.065  -4.453
  165    H    ALA  22           H        ALA  22 -11.021  -7.737  -3.359
  166    HA   ALA  22           HA       ALA  22 -10.020  -9.276  -1.269
  167   1HB   ALA  22          1HB       ALA  22 -12.793  -8.105  -1.517
  168   2HB   ALA  22          2HB       ALA  22 -11.362  -7.260  -0.923
  169   3HB   ALA  22          3HB       ALA  22 -12.017  -8.625  -0.020
  170    H    ASP  23           H        ASP  23 -12.599  -9.954  -3.551
  171    HA   ASP  23           HA       ASP  23 -13.363 -12.402  -2.207
  172   1HB   ASP  23          1HB       ASP  23 -14.209 -11.223  -4.863
  173   2HB   ASP  23          2HB       ASP  23 -14.891 -12.685  -4.157
  174    H    GLU  24           H        GLU  24 -11.044 -11.403  -4.465
  175    HA   GLU  24           HA       GLU  24 -10.811 -13.635  -6.127
  176   1HB   GLU  24          1HB       GLU  24  -9.638 -11.295  -6.193
  177   2HB   GLU  24          2HB       GLU  24  -8.388 -12.107  -5.262
  178   1HG   GLU  24          1HG       GLU  24  -9.392 -12.980  -7.961
  179   2HG   GLU  24          2HG       GLU  24  -7.908 -12.078  -7.664
  180    H    LEU  25           H        LEU  25  -9.050 -12.932  -3.062
  181    HA   LEU  25           HA       LEU  25  -8.021 -15.680  -3.125
  182   1HB   LEU  25          1HB       LEU  25  -7.479 -13.557  -1.055
  183   2HB   LEU  25          2HB       LEU  25  -6.537 -15.002  -1.381
  184    HG   LEU  25           HG       LEU  25  -6.813 -12.793  -3.410
  185   1HD1  LEU  25          1HD1      LEU  25  -5.896 -11.848  -1.345
  186   2HD1  LEU  25          2HD1      LEU  25  -4.687 -11.920  -2.627
  187   3HD1  LEU  25          3HD1      LEU  25  -4.661 -13.107  -1.322
  188   1HD2  LEU  25          1HD2      LEU  25  -4.740 -13.756  -4.281
  189   2HD2  LEU  25          2HD2      LEU  25  -6.042 -14.946  -4.249
  190   3HD2  LEU  25          3HD2      LEU  25  -4.781 -14.984  -3.017
  191    H    HIS  26           H        HIS  26  -9.944 -13.529  -1.077
  192    HA   HIS  26           HA       HIS  26 -11.701 -15.459  -0.141
  193   1HB   HIS  26          1HB       HIS  26  -9.547 -16.294   0.971
  194   2HB   HIS  26          2HB       HIS  26  -9.633 -14.850   1.974
  195    HD1  HIS  26           1HD      HIS  26 -11.210 -18.182   1.458
  196    HD2  HIS  26           2HD      HIS  26 -11.697 -14.850   3.893
  197    HE1  HIS  26           1HE      HIS  26 -12.762 -18.915   3.298
  198    HE2  HIS  26           2HE      HIS  26 -13.069 -16.872   4.742
  199    H    ILE  27           H        ILE  27  -9.772 -12.885   1.268
  200    HA   ILE  27           HA       ILE  27 -12.070 -11.104   1.509
  201    HB   ILE  27           HB       ILE  27 -11.347 -10.647   3.924
  202   1HG1  ILE  27          1HG1      ILE  27  -9.840 -13.180   3.307
  203   2HG1  ILE  27          2HG1      ILE  27  -9.268 -11.713   4.093
  204   1HG2  ILE  27          1HG2      ILE  27 -12.602 -13.321   3.293
  205   2HG2  ILE  27          2HG2      ILE  27 -13.444 -11.771   3.327
  206   3HG2  ILE  27          3HG2      ILE  27 -12.756 -12.433   4.810
  207   1HD1  ILE  27          1HD1      ILE  27 -11.062 -13.813   5.276
  208   2HD1  ILE  27          2HD1      ILE  27 -10.693 -12.275   6.051
  209   3HD1  ILE  27          3HD1      ILE  27  -9.402 -13.432   5.732
  210    H    SER  28           H        SER  28 -11.267  -8.919   2.422
  211    HA   SER  28           HA       SER  28  -8.856  -8.202   1.007
  212   1HB   SER  28          1HB       SER  28  -9.412  -5.913   1.569
  213   2HB   SER  28          2HB       SER  28 -10.878  -6.730   1.030
  214    HG   SER  28           HG       SER  28 -11.711  -6.238   2.884
  215    H    GLU  29           H        GLU  29  -7.011  -7.207   1.980
  216    HA   GLU  29           HA       GLU  29  -6.100  -8.510   4.292
  217   1HB   GLU  29          1HB       GLU  29  -4.113  -7.253   4.085
  218   2HB   GLU  29          2HB       GLU  29  -4.689  -7.510   2.446
  219   1HG   GLU  29          1HG       GLU  29  -5.007  -4.992   4.063
  220   2HG   GLU  29          2HG       GLU  29  -3.863  -5.254   2.745
  221    H    ASP  30           H        ASP  30  -8.242  -5.950   4.052
  222    HA   ASP  30           HA       ASP  30  -7.466  -4.679   6.546
  223   1HB   ASP  30          1HB       ASP  30  -8.349  -3.299   4.701
  224   2HB   ASP  30          2HB       ASP  30  -9.868  -4.189   4.768
  225    H    ILE  31           H        ILE  31 -10.073  -6.687   5.270
  226    HA   ILE  31           HA       ILE  31 -11.281  -6.939   7.911
  227    HB   ILE  31           HB       ILE  31 -12.126  -8.339   5.374
  228   1HG1  ILE  31          1HG1      ILE  31 -13.153  -5.694   6.423
  229   2HG1  ILE  31          2HG1      ILE  31 -12.020  -5.852   5.086
  230   1HG2  ILE  31          1HG2      ILE  31 -13.081  -9.273   7.388
  231   2HG2  ILE  31          2HG2      ILE  31 -14.326  -8.397   6.499
  232   3HG2  ILE  31          3HG2      ILE  31 -13.587  -7.672   7.926
  233   1HD1  ILE  31          1HD1      ILE  31 -14.284  -5.500   4.292
  234   2HD1  ILE  31          2HD1      ILE  31 -14.826  -6.937   5.159
  235   3HD1  ILE  31          3HD1      ILE  31 -13.693  -7.091   3.816
  236    H    ALA  32           H        ALA  32  -8.822  -8.361   6.207
  237    HA   ALA  32           HA       ALA  32  -9.246 -11.099   6.930
  238   1HB   ALA  32          1HB       ALA  32  -6.992 -11.468   6.075
  239   2HB   ALA  32          2HB       ALA  32  -6.737  -9.726   5.974
  240   3HB   ALA  32          3HB       ALA  32  -7.947 -10.502   4.949
  241    H    THR  33           H        THR  33  -8.765  -8.593   8.851
  242    HA   THR  33           HA       THR  33  -6.550  -9.243  10.453
  243    HB   THR  33           HB       THR  33  -7.611  -7.058  10.591
  244    HG1  THR  33           1HG      THR  33  -8.130  -7.497  13.122
  245   1HG2  THR  33          1HG2      THR  33  -9.939  -8.507  11.859
  246   2HG2  THR  33          2HG2      THR  33  -9.938  -7.754  10.264
  247   3HG2  THR  33          3HG2      THR  33  -9.765  -6.759  11.709
  248    H    ASN  34           H        ASN  34  -9.266 -11.058   9.946
  249    HA   ASN  34           HA       ASN  34  -9.833 -11.978  12.576
  250   1HB   ASN  34          1HB       ASN  34 -10.353 -13.266   9.888
  251   2HB   ASN  34          2HB       ASN  34 -11.014 -13.835  11.418
  252   1HD2  ASN  34          1HD2      ASN  34 -11.399 -11.149  12.466
  253   2HD2  ASN  34          2HD2      ASN  34 -12.767 -10.499  11.636
  254    H    ILE  35           H        ILE  35  -7.188 -12.452  10.566
  255    HA   ILE  35           HA       ILE  35  -6.525 -15.049  11.769
  256    HB   ILE  35           HB       ILE  35  -5.209 -13.618   9.456
  257   1HG1  ILE  35          1HG1      ILE  35  -6.969 -16.079   9.463
  258   2HG1  ILE  35          2HG1      ILE  35  -7.506 -14.469   8.998
  259   1HG2  ILE  35          1HG2      ILE  35  -4.011 -15.735   9.110
  260   2HG2  ILE  35          2HG2      ILE  35  -4.734 -16.373  10.588
  261   3HG2  ILE  35          3HG2      ILE  35  -3.626 -15.003  10.667
  262   1HD1  ILE  35          1HD1      ILE  35  -5.376 -16.090   7.623
  263   2HD1  ILE  35          2HD1      ILE  35  -5.899 -14.472   7.158
  264   3HD1  ILE  35          3HD1      ILE  35  -7.023 -15.827   7.051
  265    H    GLN  36           H        GLN  36  -5.199 -11.803  11.213
  266    HA   GLN  36           HA       GLN  36  -3.609 -10.588  12.288
  267   1HB   GLN  36          1HB       GLN  36  -4.126 -12.511  14.561
  268   2HB   GLN  36          2HB       GLN  36  -3.291 -10.969  14.688
  269   1HG   GLN  36          1HG       GLN  36  -5.339  -9.810  14.027
  270   2HG   GLN  36          2HG       GLN  36  -6.173 -11.359  13.913
  271   1HE2  GLN  36          1HE2      GLN  36  -6.730  -9.043  15.603
  272   2HE2  GLN  36          2HE2      GLN  36  -6.693  -9.620  17.230
  273    H    ALA  37           H        ALA  37  -1.745 -10.917  11.193
  274    HA   ALA  37           HA       ALA  37  -0.227 -13.358  11.568
  275   1HB   ALA  37          1HB       ALA  37  -0.338 -12.406   9.339
  276   2HB   ALA  37          2HB       ALA  37   1.326 -12.395   9.923
  277   3HB   ALA  37          3HB       ALA  37   0.382 -10.906   9.922
  278    H    ALA  38           H        ALA  38   0.938  -9.989  11.566
  279    HA   ALA  38           HA       ALA  38   1.693  -9.733  14.203
  280   1HB   ALA  38          1HB       ALA  38   4.126 -10.266  14.128
  281   2HB   ALA  38          2HB       ALA  38   3.860 -11.048  12.570
  282   3HB   ALA  38          3HB       ALA  38   3.080 -11.681  14.019
  283    H    LYS  39           H        LYS  39   2.195  -8.970  10.867
  284    HA   LYS  39           HA       LYS  39   4.091  -6.904  11.159
  285   1HB   LYS  39          1HB       LYS  39   3.528  -7.963   9.002
  286   2HB   LYS  39          2HB       LYS  39   1.952  -7.188   9.047
  287   1HG   LYS  39          1HG       LYS  39   3.337  -5.924   7.593
  288   2HG   LYS  39          2HG       LYS  39   3.117  -4.982   9.067
  289   1HD   LYS  39          1HD       LYS  39   5.469  -6.780   8.963
  290   2HD   LYS  39          2HD       LYS  39   5.507  -5.358   7.922
  291   1HE   LYS  39          1HE       LYS  39   5.104  -5.395  10.911
  292   2HE   LYS  39          2HE       LYS  39   6.544  -4.855  10.051
  293   1HZ   LYS  39          1HZ       LYS  39   5.173  -2.994  10.750
  294   2HZ   LYS  39          2HZ       LYS  39   3.860  -3.599   9.873
  295   3HZ   LYS  39          3HZ       LYS  39   5.247  -3.077   9.060
  296    H    ASN  40           H        ASN  40   0.581  -6.568  10.573
  297    HA   ASN  40           HA       ASN  40   0.656  -4.126  12.213
  298   1HB   ASN  40          1HB       ASN  40  -0.894  -3.021  10.719
  299   2HB   ASN  40          2HB       ASN  40   0.517  -3.540   9.806
  300   1HD2  ASN  40          1HD2      ASN  40  -0.311  -6.329   9.699
  301   2HD2  ASN  40          2HD2      ASN  40  -1.619  -6.404   8.577
  302    H    GLY  41           H        GLY  41  -0.528  -7.164  11.967
  303   1HA   GLY  41          1HA       GLY  41  -1.974  -8.005  13.694
  304   2HA   GLY  41          2HA       GLY  41  -2.850  -6.481  13.644
  305    H    ALA  42           H        ALA  42  -2.449  -6.914  10.537
  306    HA   ALA  42           HA       ALA  42  -5.057  -8.139  10.183
  307   1HB   ALA  42          1HB       ALA  42  -4.519  -6.100   8.961
  308   2HB   ALA  42          2HB       ALA  42  -4.844  -7.434   7.856
  309   3HB   ALA  42          3HB       ALA  42  -3.183  -6.924   8.155
  310    H    ASP  43           H        ASP  43  -2.158  -8.540   8.175
  311    HA   ASP  43           HA       ASP  43  -1.584 -11.197   8.641
  312   1HB   ASP  43          1HB       ASP  43  -3.978 -11.531   7.874
  313   2HB   ASP  43          2HB       ASP  43  -3.469 -10.968   6.287
  314    H    MET  44           H        MET  44   0.477 -10.552   8.166
  315    HA   MET  44           HA       MET  44   1.452  -8.978   6.159
  316   1HB   MET  44          1HB       MET  44   3.072  -9.611   7.663
  317   2HB   MET  44          2HB       MET  44   2.559 -11.290   7.681
  318   1HG   MET  44          1HG       MET  44   3.601 -11.679   5.545
  319   2HG   MET  44          2HG       MET  44   4.018  -9.974   5.399
  320   1HE   MET  44          1HE       MET  44   4.952  -9.343   8.462
  321   2HE   MET  44          2HE       MET  44   5.708  -8.741   6.987
  322   3HE   MET  44          3HE       MET  44   6.687  -9.535   8.219
  323    H    SER  45           H        SER  45   0.666 -12.428   5.917
  324    HA   SER  45           HA       SER  45   1.739 -12.844   3.354
  325   1HB   SER  45          1HB       SER  45   0.280 -14.854   3.296
  326   2HB   SER  45          2HB       SER  45   1.197 -14.715   4.795
  327    HG   SER  45           HG       SER  45  -1.078 -15.240   5.042
  328    H    GLN  46           H        GLN  46  -1.682 -12.330   4.269
  329    HA   GLN  46           HA       GLN  46  -2.459 -12.032   1.524
  330   1HB   GLN  46          1HB       GLN  46  -3.838 -12.035   4.145
  331   2HB   GLN  46          2HB       GLN  46  -4.635 -11.178   2.832
  332   1HG   GLN  46          1HG       GLN  46  -5.182 -13.668   3.232
  333   2HG   GLN  46          2HG       GLN  46  -4.942 -13.092   1.585
  334   1HE2  GLN  46          1HE2      GLN  46  -3.078 -13.676   0.467
  335   2HE2  GLN  46          2HE2      GLN  46  -2.070 -14.984   0.975
  336    H    LEU  47           H        LEU  47  -1.112  -9.919   3.784
  337    HA   LEU  47           HA       LEU  47  -2.384  -7.545   2.715
  338   1HB   LEU  47          1HB       LEU  47  -1.870  -7.437   5.036
  339   2HB   LEU  47          2HB       LEU  47  -0.238  -8.000   4.774
  340    HG   LEU  47           HG       LEU  47   0.238  -5.838   3.594
  341   1HD1  LEU  47          1HD1      LEU  47  -2.467  -5.116   4.701
  342   2HD1  LEU  47          2HD1      LEU  47  -2.006  -5.193   3.001
  343   3HD1  LEU  47          3HD1      LEU  47  -1.297  -3.967   4.053
  344   1HD2  LEU  47          1HD2      LEU  47  -0.644  -5.728   6.475
  345   2HD2  LEU  47          2HD2      LEU  47   0.386  -4.536   5.682
  346   3HD2  LEU  47          3HD2      LEU  47   0.948  -6.196   5.877
  347    H    GLY  48           H        GLY  48   0.551  -9.360   2.355
  348   1HA   GLY  48          1HA       GLY  48   1.667  -7.363   0.543
  349   2HA   GLY  48          2HA       GLY  48   2.444  -8.860   1.061
  350    H    CYS  49           H        CYS  49  -0.804  -9.181   0.226
  351    HA   CYS  49           HA       CYS  49  -0.169 -10.100  -2.480
  352   1HB   CYS  49          1HB       CYS  49  -0.860 -11.706  -0.256
  353   2HB   CYS  49          2HB       CYS  49  -2.230 -11.705  -1.354
  354    H    LEU  50           H        LEU  50  -3.085 -10.178  -0.480
  355    HA   LEU  50           HA       LEU  50  -4.889  -9.495  -2.447
  356   1HB   LEU  50          1HB       LEU  50  -5.375 -10.303  -0.103
  357   2HB   LEU  50          2HB       LEU  50  -5.107  -8.664   0.446
  358    HG   LEU  50           HG       LEU  50  -7.509  -9.325   0.181
  359   1HD1  LEU  50          1HD1      LEU  50  -6.714  -6.964   0.163
  360   2HD1  LEU  50          2HD1      LEU  50  -8.216  -7.237  -0.720
  361   3HD1  LEU  50          3HD1      LEU  50  -6.701  -7.039  -1.598
  362   1HD2  LEU  50          1HD2      LEU  50  -6.754  -9.338  -2.732
  363   2HD2  LEU  50          2HD2      LEU  50  -8.409  -9.282  -2.131
  364   3HD2  LEU  50          3HD2      LEU  50  -7.394 -10.681  -1.783
  365    H    LYS  51           H        LYS  51  -3.123  -7.373  -0.223
  366    HA   LYS  51           HA       LYS  51  -4.191  -4.983  -1.376
  367   1HB   LYS  51          1HB       LYS  51  -3.298  -5.158   0.975
  368   2HB   LYS  51          2HB       LYS  51  -1.682  -5.255   0.287
  369   1HG   LYS  51          1HG       LYS  51  -2.035  -3.051  -0.768
  370   2HG   LYS  51          2HG       LYS  51  -3.601  -2.952   0.038
  371   1HD   LYS  51          1HD       LYS  51  -2.462  -3.132   2.215
  372   2HD   LYS  51          2HD       LYS  51  -0.907  -3.157   1.380
  373   1HE   LYS  51          1HE       LYS  51  -2.925  -0.915   1.350
  374   2HE   LYS  51          2HE       LYS  51  -1.385  -0.927   2.210
  375   1HZ   LYS  51          1HZ       LYS  51  -0.236  -1.046   0.097
  376   2HZ   LYS  51          2HZ       LYS  51  -1.255   0.303   0.127
  377   3HZ   LYS  51          3HZ       LYS  51  -1.706  -1.077  -0.739
  378    H    ALA  52           H        ALA  52  -1.563  -7.150  -2.037
  379    HA   ALA  52           HA       ALA  52   0.063  -5.358  -3.553
  380   1HB   ALA  52          1HB       ALA  52   1.242  -7.295  -4.288
  381   2HB   ALA  52          2HB       ALA  52  -0.121  -8.346  -3.909
  382   3HB   ALA  52          3HB       ALA  52   0.786  -7.578  -2.609
  383    H    CYS  53           H        CYS  53  -2.858  -7.032  -4.133
  384    HA   CYS  53           HA       CYS  53  -2.740  -7.095  -6.983
  385   1HB   CYS  53          1HB       CYS  53  -4.194  -8.665  -5.984
  386   2HB   CYS  53          2HB       CYS  53  -4.936  -7.449  -4.954
  387    H    VAL  54           H        VAL  54  -4.017  -4.904  -4.558
  388    HA   VAL  54           HA       VAL  54  -5.454  -3.190  -6.265
  389    HB   VAL  54           HB       VAL  54  -4.079  -2.297  -3.741
  390   1HG1  VAL  54          1HG1      VAL  54  -6.026  -0.845  -3.526
  391   2HG1  VAL  54          2HG1      VAL  54  -6.698  -1.513  -5.013
  392   3HG1  VAL  54          3HG1      VAL  54  -5.204  -0.578  -5.063
  393   1HG2  VAL  54          1HG2      VAL  54  -6.673  -3.822  -3.954
  394   2HG2  VAL  54          2HG2      VAL  54  -6.008  -3.112  -2.484
  395   3HG2  VAL  54          3HG2      VAL  54  -5.164  -4.438  -3.283
  396    H    MET  55           H        MET  55  -2.092  -3.598  -5.718
  397    HA   MET  55           HA       MET  55  -1.158  -1.018  -6.360
  398   1HB   MET  55          1HB       MET  55   0.281  -3.603  -6.953
  399   2HB   MET  55          2HB       MET  55   0.992  -2.025  -6.652
  400   1HG   MET  55          1HG       MET  55  -0.477  -3.725  -4.650
  401   2HG   MET  55          2HG       MET  55   1.266  -3.478  -4.737
  402   1HE   MET  55          1HE       MET  55   0.361  -1.537  -1.480
  403   2HE   MET  55          2HE       MET  55   1.383  -2.775  -2.209
  404   3HE   MET  55          3HE       MET  55  -0.352  -3.045  -2.048
  405    H    LYS  56           H        LYS  56  -1.520  -3.925  -8.378
  406    HA   LYS  56           HA       LYS  56  -0.723  -2.744 -10.795
  407   1HB   LYS  56          1HB       LYS  56  -2.706  -4.999 -10.530
  408   2HB   LYS  56          2HB       LYS  56  -1.618  -4.678 -11.872
  409   1HG   LYS  56          1HG       LYS  56  -0.244  -6.151 -10.952
  410   2HG   LYS  56          2HG       LYS  56   0.076  -4.941  -9.712
  411   1HD   LYS  56          1HD       LYS  56  -0.497  -6.952  -8.583
  412   2HD   LYS  56          2HD       LYS  56  -1.886  -5.878  -8.442
  413   1HE   LYS  56          1HE       LYS  56  -1.713  -7.886 -10.657
  414   2HE   LYS  56          2HE       LYS  56  -2.275  -8.358  -9.054
  415   1HZ   LYS  56          1HZ       LYS  56  -3.483  -6.310 -10.832
  416   2HZ   LYS  56          2HZ       LYS  56  -3.968  -6.583  -9.235
  417   3HZ   LYS  56          3HZ       LYS  56  -4.152  -7.801 -10.393
  418    H    ARG  57           H        ARG  57  -3.570  -2.332  -8.974
  419    HA   ARG  57           HA       ARG  57  -5.358  -1.763 -11.125
  420   1HB   ARG  57          1HB       ARG  57  -5.530  -0.938  -8.221
  421   2HB   ARG  57          2HB       ARG  57  -6.842  -0.872  -9.388
  422   1HG   ARG  57          1HG       ARG  57  -5.461  -3.452  -8.749
  423   2HG   ARG  57          2HG       ARG  57  -6.769  -2.831  -7.742
  424   1HD   ARG  57          1HD       ARG  57  -7.662  -4.381  -9.363
  425   2HD   ARG  57          2HD       ARG  57  -8.224  -2.751  -9.732
  426    HE   ARG  57           HE       ARG  57  -5.856  -3.456 -11.174
  427   1HH1  ARG  57          1HH1      ARG  57  -9.328  -3.746 -11.123
  428   2HH1  ARG  57          2HH1      ARG  57  -9.460  -3.982 -12.833
  429   1HH2  ARG  57          1HH2      ARG  57  -6.024  -3.766 -13.427
  430   2HH2  ARG  57          2HH2      ARG  57  -7.585  -3.991 -14.141
  431    H    ILE  58           H        ILE  58  -3.143   0.134  -9.169
  432    HA   ILE  58           HA       ILE  58  -3.966   2.555 -10.623
  433    HB   ILE  58           HB       ILE  58  -2.780   3.833  -8.878
  434   1HG1  ILE  58          1HG1      ILE  58  -2.468   1.141  -7.528
  435   2HG1  ILE  58          2HG1      ILE  58  -1.161   2.091  -8.221
  436   1HG2  ILE  58          1HG2      ILE  58  -5.191   3.354  -8.733
  437   2HG2  ILE  58          2HG2      ILE  58  -4.442   3.520  -7.145
  438   3HG2  ILE  58          3HG2      ILE  58  -4.831   1.919  -7.774
  439   1HD1  ILE  58          1HD1      ILE  58  -1.511   3.831  -6.587
  440   2HD1  ILE  58          2HD1      ILE  58  -1.292   2.278  -5.779
  441   3HD1  ILE  58          3HD1      ILE  58  -2.904   2.970  -5.933
  442    H    GLU  59           H        GLU  59  -2.352   0.553 -11.821
  443    HA   GLU  59           HA       GLU  59  -0.384   0.175 -12.891
  444   1HB   GLU  59          1HB       GLU  59   0.383   2.064 -14.251
  445   2HB   GLU  59          2HB       GLU  59  -1.364   1.885 -14.288
  446   1HG   GLU  59          1HG       GLU  59  -1.589   3.716 -12.699
  447   2HG   GLU  59          2HG       GLU  59   0.163   3.885 -12.641
  448    H    MET  60           H        MET  60   0.130   0.345 -10.143
  449    HA   MET  60           HA       MET  60   2.735   1.722 -10.122
  450   1HB   MET  60          1HB       MET  60   2.606   1.893  -7.748
  451   2HB   MET  60          2HB       MET  60   1.070   2.454  -8.387
  452   1HG   MET  60          1HG       MET  60  -0.053   0.525  -7.692
  453   2HG   MET  60          2HG       MET  60   1.448  -0.360  -7.436
  454   1HE   MET  60          1HE       MET  60   3.102   0.073  -5.400
  455   2HE   MET  60          2HE       MET  60   2.880   1.377  -4.232
  456   3HE   MET  60          3HE       MET  60   3.240   1.753  -5.917
  457    H    LEU  61           H        LEU  61   1.607  -1.104 -10.875
  458    HA   LEU  61           HA       LEU  61   4.001  -2.512 -10.145
  459   1HB   LEU  61          1HB       LEU  61   2.559  -2.863  -8.158
  460   2HB   LEU  61          2HB       LEU  61   1.332  -3.571  -9.194
  461    HG   LEU  61           HG       LEU  61   2.959  -5.363  -9.805
  462   1HD1  LEU  61          1HD1      LEU  61   5.025  -4.178  -9.347
  463   2HD1  LEU  61          2HD1      LEU  61   4.940  -5.657  -8.390
  464   3HD1  LEU  61          3HD1      LEU  61   4.621  -4.098  -7.631
  465   1HD2  LEU  61          1HD2      LEU  61   2.330  -5.045  -6.873
  466   2HD2  LEU  61          2HD2      LEU  61   2.791  -6.554  -7.661
  467   3HD2  LEU  61          3HD2      LEU  61   1.281  -5.757  -8.099
  468    H    LYS  62           H        LYS  62   4.449  -2.878 -12.247
  469    HA   LYS  62           HA       LYS  62   2.398  -4.140 -13.929
  470   1HB   LYS  62          1HB       LYS  62   5.009  -2.817 -14.689
  471   2HB   LYS  62          2HB       LYS  62   3.848  -3.497 -15.822
  472   1HG   LYS  62          1HG       LYS  62   3.195  -1.256 -13.926
  473   2HG   LYS  62          2HG       LYS  62   3.785  -1.006 -15.569
  474   1HD   LYS  62          1HD       LYS  62   1.564  -0.935 -16.023
  475   2HD   LYS  62          2HD       LYS  62   1.764  -2.687 -16.086
  476   1HE   LYS  62          1HE       LYS  62   1.011  -2.893 -13.798
  477   2HE   LYS  62          2HE       LYS  62   0.922  -1.139 -13.639
  478   1HZ   LYS  62          1HZ       LYS  62  -0.721  -2.791 -15.480
  479   2HZ   LYS  62          2HZ       LYS  62  -0.808  -1.109 -15.323
  480   3HZ   LYS  62          3HZ       LYS  62  -1.255  -2.102 -14.030
  481    H    GLY  63           H        GLY  63   2.552  -6.297 -13.375
  482   1HA   GLY  63          1HA       GLY  63   3.437  -8.415 -13.289
  483   2HA   GLY  63          2HA       GLY  63   4.428  -7.889 -14.643
  484    H    THR  64           H        THR  64   4.296  -7.187 -11.162
  485    HA   THR  64           HA       THR  64   5.813  -7.406  -9.489
  486    HB   THR  64           HB       THR  64   7.580  -8.920  -9.555
  487    HG1  THR  64           1HG      THR  64   8.686  -9.465 -11.454
  488   1HG2  THR  64          1HG2      THR  64   6.766 -10.900 -10.645
  489   2HG2  THR  64          2HG2      THR  64   5.798  -9.943 -11.766
  490   3HG2  THR  64          3HG2      THR  64   5.377  -9.985 -10.053
  491    H    GLU  65           H        GLU  65   5.786  -5.257 -11.594
  492    HA   GLU  65           HA       GLU  65   8.498  -4.217 -11.125
  493   1HB   GLU  65          1HB       GLU  65   6.535  -3.621 -13.325
  494   2HB   GLU  65          2HB       GLU  65   8.030  -2.751 -13.083
  495   1HG   GLU  65          1HG       GLU  65   7.791  -5.684 -13.688
  496   2HG   GLU  65          2HG       GLU  65   8.255  -4.425 -14.831
  497    H    LEU  66           H        LEU  66   8.367  -2.967  -9.367
  498    HA   LEU  66           HA       LEU  66   6.043  -1.386  -8.765
  499   1HB   LEU  66          1HB       LEU  66   8.732  -1.714  -7.472
  500   2HB   LEU  66          2HB       LEU  66   7.631  -0.452  -6.951
  501    HG   LEU  66           HG       LEU  66   5.939  -2.465  -6.742
  502   1HD1  LEU  66          1HD1      LEU  66   7.027  -4.510  -6.013
  503   2HD1  LEU  66          2HD1      LEU  66   8.604  -3.815  -6.381
  504   3HD1  LEU  66          3HD1      LEU  66   7.454  -4.129  -7.681
  505   1HD2  LEU  66          1HD2      LEU  66   8.128  -1.879  -4.758
  506   2HD2  LEU  66          2HD2      LEU  66   6.610  -2.699  -4.394
  507   3HD2  LEU  66          3HD2      LEU  66   6.598  -1.016  -4.919
  508    H    TYR  67           H        TYR  67   5.775   0.795  -8.919
  509    HA   TYR  67           HA       TYR  67   7.809   2.245 -10.480
  510   1HB   TYR  67          1HB       TYR  67   4.809   2.375 -10.474
  511   2HB   TYR  67          2HB       TYR  67   5.759   3.746 -11.032
  512    HD1  TYR  67           1HD      TYR  67   5.655   0.037 -11.541
  513    HD2  TYR  67           2HD      TYR  67   6.120   3.884 -13.297
  514    HE1  TYR  67           1HE      TYR  67   5.849  -1.005 -13.760
  515    HE2  TYR  67           2HE      TYR  67   6.315   2.854 -15.520
  516    HH   TYR  67           HH       TYR  67   5.515  -0.379 -16.125
  517    H    VAL  68           H        VAL  68   7.254   4.779 -10.191
  518    HA   VAL  68           HA       VAL  68   7.084   5.306  -7.299
  519    HB   VAL  68           HB       VAL  68   8.847   6.979  -7.481
  520   1HG1  VAL  68          1HG1      VAL  68   9.491   4.725  -6.854
  521   2HG1  VAL  68          2HG1      VAL  68  10.760   5.479  -7.817
  522   3HG1  VAL  68          3HG1      VAL  68   9.687   4.288  -8.551
  523   1HG2  VAL  68          1HG2      VAL  68   9.100   6.056 -10.342
  524   2HG2  VAL  68          2HG2      VAL  68  10.211   7.152  -9.520
  525   3HG2  VAL  68          3HG2      VAL  68   8.537   7.638  -9.799
  526    H    GLU  69           H        GLU  69   6.468   6.357 -10.562
  527    HA   GLU  69           HA       GLU  69   5.636   8.990 -10.004
  528   1HB   GLU  69          1HB       GLU  69   4.920   7.142 -12.280
  529   2HB   GLU  69          2HB       GLU  69   4.464   8.839 -12.214
  530   1HG   GLU  69          1HG       GLU  69   7.293   7.813 -12.162
  531   2HG   GLU  69          2HG       GLU  69   6.456   8.415 -13.593
  532    HA   PRO  70           HA       PRO  70   1.084   7.178 -10.012
  533   1HB   PRO  70          1HB       PRO  70   1.003   4.584  -9.024
  534   2HB   PRO  70          2HB       PRO  70   0.817   5.039 -10.719
  535   1HG   PRO  70          1HG       PRO  70   3.208   3.997  -9.285
  536   2HG   PRO  70          2HG       PRO  70   2.669   3.696 -10.943
  537   1HD   PRO  70          1HD       PRO  70   4.707   5.361 -10.375
  538   2HD   PRO  70          2HD       PRO  70   3.609   5.642 -11.741
  539    H    VAL  71           H        VAL  71   3.652   6.713  -7.805
  540    HA   VAL  71           HA       VAL  71   1.909   6.618  -5.469
  541    HB   VAL  71           HB       VAL  71   4.922   6.765  -5.496
  542   1HG1  VAL  71          1HG1      VAL  71   4.711   5.718  -3.282
  543   2HG1  VAL  71          2HG1      VAL  71   2.955   5.805  -3.424
  544   3HG1  VAL  71          3HG1      VAL  71   3.908   7.285  -3.361
  545   1HG2  VAL  71          1HG2      VAL  71   4.892   4.307  -5.256
  546   2HG2  VAL  71          2HG2      VAL  71   4.272   4.848  -6.817
  547   3HG2  VAL  71          3HG2      VAL  71   3.153   4.322  -5.558
  548    H    TYR  72           H        TYR  72   4.380   8.760  -6.869
  549    HA   TYR  72           HA       TYR  72   4.176  10.764  -4.904
  550   1HB   TYR  72          1HB       TYR  72   4.917  11.107  -7.816
  551   2HB   TYR  72          2HB       TYR  72   5.271  12.236  -6.518
  552    HD1  TYR  72           1HD      TYR  72   7.086  10.594  -8.566
  553    HD2  TYR  72           2HD      TYR  72   6.156  10.232  -4.429
  554    HE1  TYR  72           1HE      TYR  72   9.238   9.469  -8.187
  555    HE2  TYR  72           2HE      TYR  72   8.305   9.104  -4.039
  556    HH   TYR  72           HH       TYR  72   9.969   7.817  -5.315
  557    H    LYS  73           H        LYS  73   2.134   9.868  -7.508
  558    HA   LYS  73           HA       LYS  73   0.786  12.409  -7.719
  559   1HB   LYS  73          1HB       LYS  73   0.138   9.700  -8.881
  560   2HB   LYS  73          2HB       LYS  73  -0.749  11.173  -9.240
  561   1HG   LYS  73          1HG       LYS  73   2.198  10.898  -9.744
  562   2HG   LYS  73          2HG       LYS  73   0.977  10.447 -10.934
  563   1HD   LYS  73          1HD       LYS  73   1.291  12.593 -11.599
  564   2HD   LYS  73          2HD       LYS  73   0.098  12.899 -10.337
  565   1HE   LYS  73          1HE       LYS  73   2.008  14.432 -10.186
  566   2HE   LYS  73          2HE       LYS  73   1.867  13.413  -8.755
  567   1HZ   LYS  73          1HZ       LYS  73   4.158  13.594  -9.515
  568   2HZ   LYS  73          2HZ       LYS  73   3.732  12.943 -11.017
  569   3HZ   LYS  73          3HZ       LYS  73   3.610  11.996  -9.621
  570    H    MET  74           H        MET  74  -0.045   9.184  -6.415
  571    HA   MET  74           HA       MET  74  -2.626  10.016  -5.548
  572   1HB   MET  74          1HB       MET  74  -2.775   7.869  -4.447
  573   2HB   MET  74          2HB       MET  74  -2.095   7.660  -6.054
  574   1HG   MET  74          1HG       MET  74   0.113   7.417  -5.138
  575   2HG   MET  74          2HG       MET  74  -0.483   7.768  -3.516
  576   1HE   MET  74          1HE       MET  74   1.281   5.255  -3.983
  577   2HE   MET  74          2HE       MET  74   0.368   4.001  -3.145
  578   3HE   MET  74          3HE       MET  74   0.514   5.609  -2.437
  579    H    ILE  75           H        ILE  75   0.518   9.657  -3.974
  580    HA   ILE  75           HA       ILE  75  -0.150   9.997  -1.334
  581    HB   ILE  75           HB       ILE  75   2.241  10.875  -2.919
  582   1HG1  ILE  75          1HG1      ILE  75   1.886   8.874  -0.677
  583   2HG1  ILE  75          2HG1      ILE  75   1.900   8.479  -2.392
  584   1HG2  ILE  75          1HG2      ILE  75   1.905  11.271   0.053
  585   2HG2  ILE  75          2HG2      ILE  75   1.956  12.555  -1.157
  586   3HG2  ILE  75          3HG2      ILE  75   3.377  11.550  -0.879
  587   1HD1  ILE  75          1HD1      ILE  75   4.192   9.701  -0.872
  588   2HD1  ILE  75          2HD1      ILE  75   4.198   9.218  -2.568
  589   3HD1  ILE  75          3HD1      ILE  75   4.036   7.999  -1.303
  590    H    GLU  76           H        GLU  76  -0.126  12.359  -3.892
  591    HA   GLU  76           HA       GLU  76  -0.046  14.731  -2.447
  592   1HB   GLU  76          1HB       GLU  76  -1.573  14.096  -4.976
  593   2HB   GLU  76          2HB       GLU  76  -1.323  15.720  -4.352
  594   1HG   GLU  76          1HG       GLU  76   1.084  15.453  -4.589
  595   2HG   GLU  76          2HG       GLU  76   0.851  13.811  -5.183
  596    H    VAL  77           H        VAL  77  -3.027  13.081  -3.559
  597    HA   VAL  77           HA       VAL  77  -4.619  14.695  -1.743
  598    HB   VAL  77           HB       VAL  77  -5.544  12.448  -3.535
  599   1HG1  VAL  77          1HG1      VAL  77  -7.118  13.033  -1.771
  600   2HG1  VAL  77          2HG1      VAL  77  -7.731  13.535  -3.347
  601   3HG1  VAL  77          3HG1      VAL  77  -7.040  14.728  -2.249
  602   1HG2  VAL  77          1HG2      VAL  77  -5.365  15.404  -4.105
  603   2HG2  VAL  77          2HG2      VAL  77  -6.185  14.223  -5.125
  604   3HG2  VAL  77          3HG2      VAL  77  -4.441  14.121  -4.887
  605    H    VAL  78           H        VAL  78  -3.339  11.484  -1.959
  606    HA   VAL  78           HA       VAL  78  -4.983  10.208  -0.061
  607    HB   VAL  78           HB       VAL  78  -2.236   9.590  -1.152
  608   1HG1  VAL  78          1HG1      VAL  78  -3.809   7.944   0.835
  609   2HG1  VAL  78          2HG1      VAL  78  -2.248   8.716   1.119
  610   3HG1  VAL  78          3HG1      VAL  78  -2.381   7.394  -0.042
  611   1HG2  VAL  78          1HG2      VAL  78  -4.918   8.244  -1.453
  612   2HG2  VAL  78          2HG2      VAL  78  -3.413   7.744  -2.226
  613   3HG2  VAL  78          3HG2      VAL  78  -4.144   9.295  -2.639
  614    H    HIS  79           H        HIS  79  -2.822  12.692   0.344
  615    HA   HIS  79           HA       HIS  79  -2.682  12.229   3.226
  616   1HB   HIS  79          1HB       HIS  79  -0.316  13.009   1.505
  617   2HB   HIS  79          2HB       HIS  79  -0.334  13.064   3.264
  618    HD1  HIS  79           1HD      HIS  79   0.006  10.879   4.514
  619    HD2  HIS  79           2HD      HIS  79  -0.309  10.380   0.403
  620    HE1  HIS  79           1HE      HIS  79   0.669   8.496   4.076
  621    HE2  HIS  79           2HE      HIS  79   0.568   8.246   1.570
  622    H    ALA  80           H        ALA  80  -4.368  13.880   1.592
  623    HA   ALA  80           HA       ALA  80  -3.569  16.549   1.431
  624   1HB   ALA  80          1HB       ALA  80  -5.944  17.088   1.328
  625   2HB   ALA  80          2HB       ALA  80  -6.344  15.472   1.909
  626   3HB   ALA  80          3HB       ALA  80  -5.573  15.678   0.337
  627    H    GLY  81           H        GLY  81  -3.434  18.188   2.844
  628   1HA   GLY  81          1HA       GLY  81  -4.522  19.138   4.928
  629   2HA   GLY  81          2HA       GLY  81  -4.102  17.594   5.656
  630    H    ASN  82           H        ASN  82  -1.605  17.099   4.914
  631    HA   ASN  82           HA       ASN  82  -0.084  19.436   5.869
  632   1HB   ASN  82          1HB       ASN  82   0.395  16.489   6.347
  633   2HB   ASN  82          2HB       ASN  82   1.546  17.752   6.774
  634   1HD2  ASN  82          1HD2      ASN  82   1.099  19.123   8.479
  635   2HD2  ASN  82          2HD2      ASN  82  -0.140  18.787   9.635
  636    H    ALA  83           H        ALA  83   0.971  20.317   4.219
  637    HA   ALA  83           HA       ALA  83   1.582  19.053   1.795
  638   1HB   ALA  83          1HB       ALA  83   2.962  21.006   1.314
  639   2HB   ALA  83          2HB       ALA  83   2.888  21.487   3.009
  640   3HB   ALA  83          3HB       ALA  83   1.422  21.480   2.029
  641    H    ASP  84           H        ASP  84   3.365  19.257   4.801
  642    HA   ASP  84           HA       ASP  84   5.814  18.296   3.630
  643   1HB   ASP  84          1HB       ASP  84   5.084  18.420   6.560
  644   2HB   ASP  84          2HB       ASP  84   6.697  18.236   5.866
  645    H    ASP  85           H        ASP  85   2.923  16.867   4.822
  646    HA   ASP  85           HA       ASP  85   3.957  14.378   5.659
  647   1HB   ASP  85          1HB       ASP  85   1.575  15.195   5.998
  648   2HB   ASP  85          2HB       ASP  85   1.284  14.801   4.305
  649    H    ILE  86           H        ILE  86   3.148  15.767   2.578
  650    HA   ILE  86           HA       ILE  86   3.517  13.392   1.040
  651    HB   ILE  86           HB       ILE  86   3.425  16.311   0.245
  652   1HG1  ILE  86          1HG1      ILE  86   1.315  14.184  -0.137
  653   2HG1  ILE  86          2HG1      ILE  86   1.362  15.243   1.268
  654   1HG2  ILE  86          1HG2      ILE  86   3.048  15.477  -2.048
  655   2HG2  ILE  86          2HG2      ILE  86   3.378  13.839  -1.485
  656   3HG2  ILE  86          3HG2      ILE  86   4.645  15.063  -1.429
  657   1HD1  ILE  86          1HD1      ILE  86   1.114  17.184  -0.173
  658   2HD1  ILE  86          2HD1      ILE  86  -0.205  16.039  -0.414
  659   3HD1  ILE  86          3HD1      ILE  86   1.103  16.137  -1.592
  660    H    GLN  87           H        GLN  87   5.479  16.057   2.156
  661    HA   GLN  87           HA       GLN  87   7.707  15.526   0.454
  662   1HB   GLN  87          1HB       GLN  87   8.025  17.654   1.073
  663   2HB   GLN  87          2HB       GLN  87   6.945  17.488   2.447
  664   1HG   GLN  87          1HG       GLN  87   9.036  18.127   3.306
  665   2HG   GLN  87          2HG       GLN  87   8.848  16.415   3.677
  666   1HE2  GLN  87          1HE2      GLN  87   9.615  17.579   0.483
  667   2HE2  GLN  87          2HE2      GLN  87  11.241  16.991   0.442
  668    H    LEU  88           H        LEU  88   6.661  14.491   3.604
  669    HA   LEU  88           HA       LEU  88   9.214  13.335   4.298
  670   1HB   LEU  88          1HB       LEU  88   7.561  14.349   5.939
  671   2HB   LEU  88          2HB       LEU  88   6.573  12.923   5.690
  672    HG   LEU  88           HG       LEU  88   9.422  12.630   6.577
  673   1HD1  LEU  88          1HD1      LEU  88   8.441  14.236   8.119
  674   2HD1  LEU  88          2HD1      LEU  88   8.659  12.671   8.904
  675   3HD1  LEU  88          3HD1      LEU  88   7.056  13.172   8.366
  676   1HD2  LEU  88          1HD2      LEU  88   8.489  10.608   7.648
  677   2HD2  LEU  88          2HD2      LEU  88   8.270  10.619   5.898
  678   3HD2  LEU  88          3HD2      LEU  88   6.914  11.000   6.958
  679    H    VAL  89           H        VAL  89   5.975  12.182   3.448
  680    HA   VAL  89           HA       VAL  89   6.548   9.426   3.585
  681    HB   VAL  89           HB       VAL  89   4.254  10.481   3.550
  682   1HG1  VAL  89          1HG1      VAL  89   4.673  11.941   1.607
  683   2HG1  VAL  89          2HG1      VAL  89   3.217  10.963   1.444
  684   3HG1  VAL  89          3HG1      VAL  89   4.683  10.512   0.575
  685   1HG2  VAL  89          1HG2      VAL  89   4.626   8.059   3.321
  686   2HG2  VAL  89          2HG2      VAL  89   4.706   8.255   1.572
  687   3HG2  VAL  89          3HG2      VAL  89   3.208   8.611   2.432
  688    H    LYS  90           H        LYS  90   6.931  11.796   1.023
  689    HA   LYS  90           HA       LYS  90   7.171  10.169  -1.200
  690   1HB   LYS  90          1HB       LYS  90   7.714  12.860  -0.568
  691   2HB   LYS  90          2HB       LYS  90   9.184  12.227  -1.286
  692   1HG   LYS  90          1HG       LYS  90   8.198  12.802  -3.213
  693   2HG   LYS  90          2HG       LYS  90   7.344  11.278  -3.016
  694   1HD   LYS  90          1HD       LYS  90   5.482  12.434  -1.949
  695   2HD   LYS  90          2HD       LYS  90   6.350  13.960  -2.112
  696   1HE   LYS  90          1HE       LYS  90   5.510  12.195  -4.400
  697   2HE   LYS  90          2HE       LYS  90   4.648  13.632  -3.863
  698   1HZ   LYS  90          1HZ       LYS  90   6.071  14.118  -5.747
  699   2HZ   LYS  90          2HZ       LYS  90   7.429  13.571  -4.900
  700   3HZ   LYS  90          3HZ       LYS  90   6.610  14.954  -4.377
  701    H    GLY  91           H        GLY  91   9.485  10.797   1.361
  702   1HA   GLY  91          1HA       GLY  91  11.622   9.392   0.009
  703   2HA   GLY  91          2HA       GLY  91  11.673  10.055   1.636
  704    H    ILE  92           H        ILE  92   9.190   8.672   2.420
  705    HA   ILE  92           HA       ILE  92  10.342   6.302   3.440
  706    HB   ILE  92           HB       ILE  92   7.395   6.925   3.251
  707   1HG1  ILE  92          1HG1      ILE  92   8.487   8.807   4.305
  708   2HG1  ILE  92          2HG1      ILE  92   7.657   7.868   5.541
  709   1HG2  ILE  92          1HG2      ILE  92   8.955   5.170   5.139
  710   2HG2  ILE  92          2HG2      ILE  92   7.885   4.624   3.847
  711   3HG2  ILE  92          3HG2      ILE  92   7.224   5.493   5.233
  712   1HD1  ILE  92          1HD1      ILE  92  10.609   7.856   4.963
  713   2HD1  ILE  92          2HD1      ILE  92   9.805   6.825   6.145
  714   3HD1  ILE  92          3HD1      ILE  92   9.803   8.575   6.354
  715    H    ALA  93           H        ALA  93   8.278   6.978   0.677
  716    HA   ALA  93           HA       ALA  93   7.536   4.345   0.054
  717   1HB   ALA  93          1HB       ALA  93   7.026   5.195  -2.171
  718   2HB   ALA  93          2HB       ALA  93   7.934   6.669  -1.828
  719   3HB   ALA  93          3HB       ALA  93   6.460   6.312  -0.928
  720    H    ASN  94           H        ASN  94  10.438   6.182  -0.638
  721    HA   ASN  94           HA       ASN  94  11.503   4.418  -2.585
  722   1HB   ASN  94          1HB       ASN  94  12.214   6.814  -2.173
  723   2HB   ASN  94          2HB       ASN  94  13.092   6.227  -0.763
  724   1HD2  ASN  94          1HD2      ASN  94  15.061   6.879  -1.634
  725   2HD2  ASN  94          2HD2      ASN  94  15.818   6.022  -2.928
  726    H    GLU  95           H        GLU  95  11.311   4.287   0.850
  727    HA   GLU  95           HA       GLU  95  13.539   2.568   1.301
  728   1HB   GLU  95          1HB       GLU  95  12.443   3.966   3.065
  729   2HB   GLU  95          2HB       GLU  95  11.058   2.883   3.011
  730   1HG   GLU  95          1HG       GLU  95  12.493   2.344   4.877
  731   2HG   GLU  95          2HG       GLU  95  12.479   1.026   3.707
  732    H    CYS  96           H        CYS  96  10.181   2.089   0.480
  733    HA   CYS  96           HA       CYS  96  10.312  -0.781   0.881
  734   1HB   CYS  96          1HB       CYS  96   8.135   1.090  -0.028
  735   2HB   CYS  96          2HB       CYS  96   7.949  -0.660  -0.020
  736    H    ILE  97           H        ILE  97   9.684   1.383  -1.886
  737    HA   ILE  97           HA       ILE  97   9.447  -0.466  -3.898
  738    HB   ILE  97           HB       ILE  97  10.840   2.203  -4.130
  739   1HG1  ILE  97          1HG1      ILE  97   7.929   1.550  -4.609
  740   2HG1  ILE  97          2HG1      ILE  97   8.533   2.215  -3.096
  741   1HG2  ILE  97          1HG2      ILE  97  11.212   0.798  -6.079
  742   2HG2  ILE  97          2HG2      ILE  97  10.111   2.117  -6.476
  743   3HG2  ILE  97          3HG2      ILE  97   9.480   0.492  -6.211
  744   1HD1  ILE  97          1HD1      ILE  97   7.620   3.980  -4.426
  745   2HD1  ILE  97          2HD1      ILE  97   8.617   3.515  -5.804
  746   3HD1  ILE  97          3HD1      ILE  97   9.371   4.175  -4.353
  747    H    GLU  98           H        GLU  98  12.384   0.517  -2.277
  748    HA   GLU  98           HA       GLU  98  14.124  -0.564  -4.287
  749   1HB   GLU  98          1HB       GLU  98  14.612   0.411  -1.478
  750   2HB   GLU  98          2HB       GLU  98  15.890  -0.241  -2.496
  751   1HG   GLU  98          1HG       GLU  98  14.197   2.174  -3.096
  752   2HG   GLU  98          2HG       GLU  98  15.878   2.180  -2.566
  753    H    ASN  99           H        ASN  99  12.736  -1.747  -1.267
  754    HA   ASN  99           HA       ASN  99  14.306  -4.195  -1.487
  755   1HB   ASN  99          1HB       ASN  99  13.811  -4.628   0.712
  756   2HB   ASN  99          2HB       ASN  99  13.750  -2.872   0.714
  757   1HD2  ASN  99          1HD2      ASN  99  11.787  -1.840   0.941
  758   2HD2  ASN  99          2HD2      ASN  99  10.354  -2.667   1.440
  759    H    ALA 100           H        ALA 100  11.461  -3.056  -2.736
  760    HA   ALA 100           HA       ALA 100  10.128  -5.667  -2.631
  761   1HB   ALA 100          1HB       ALA 100   8.750  -3.752  -2.048
  762   2HB   ALA 100          2HB       ALA 100   8.171  -4.496  -3.537
  763   3HB   ALA 100          3HB       ALA 100   9.105  -3.000  -3.602
  764    H    LYS 101           H        LYS 101  11.594  -3.370  -4.803
  765    HA   LYS 101           HA       LYS 101  11.711  -3.340  -7.128
  766   1HB   LYS 101          1HB       LYS 101  13.217  -5.637  -7.516
  767   2HB   LYS 101          2HB       LYS 101  13.819  -4.039  -7.107
  768   1HG   LYS 101          1HG       LYS 101  14.811  -5.377  -5.513
  769   2HG   LYS 101          2HG       LYS 101  13.396  -4.767  -4.660
  770   1HD   LYS 101          1HD       LYS 101  12.201  -6.858  -5.336
  771   2HD   LYS 101          2HD       LYS 101  13.749  -7.468  -5.927
  772   1HE   LYS 101          1HE       LYS 101  13.428  -6.440  -3.128
  773   2HE   LYS 101          2HE       LYS 101  13.034  -8.100  -3.549
  774   1HZ   LYS 101          1HZ       LYS 101  15.294  -7.909  -2.722
  775   2HZ   LYS 101          2HZ       LYS 101  15.673  -6.802  -3.943
  776   3HZ   LYS 101          3HZ       LYS 101  15.297  -8.403  -4.340
  777    H    GLY 102           H        GLY 102  11.766  -6.872  -6.903
  778   1HA   GLY 102          1HA       GLY 102   9.157  -7.195  -8.027
  779   2HA   GLY 102          2HA       GLY 102  10.415  -7.367  -9.240
  780    H    GLU 103           H        GLU 103   9.299  -8.617  -6.123
  781    HA   GLU 103           HA       GLU 103  10.986 -10.888  -6.095
  782   1HB   GLU 103          1HB       GLU 103   8.364 -10.338  -4.704
  783   2HB   GLU 103          2HB       GLU 103   9.349 -11.762  -4.400
  784   1HG   GLU 103          1HG       GLU 103  10.258  -8.920  -4.001
  785   2HG   GLU 103          2HG       GLU 103   9.663  -9.985  -2.727
  786    H    THR 104           H        THR 104  10.054 -13.165  -6.072
  787    HA   THR 104           HA       THR 104   8.698 -13.576  -8.606
  788    HB   THR 104           HB       THR 104   9.200 -15.979  -8.237
  789    HG1  THR 104           1HG      THR 104   9.295 -15.463  -5.779
  790   1HG2  THR 104          1HG2      THR 104  11.552 -14.116  -7.891
  791   2HG2  THR 104          2HG2      THR 104  10.806 -14.576  -9.421
  792   3HG2  THR 104          3HG2      THR 104  11.641 -15.786  -8.448
  793    H    ASP 105           H        ASP 105   8.189 -14.346  -5.178
  794    HA   ASP 105           HA       ASP 105   5.655 -15.609  -5.698
  795   1HB   ASP 105          1HB       ASP 105   7.004 -16.390  -3.832
  796   2HB   ASP 105          2HB       ASP 105   6.966 -14.790  -3.100
  797    H    GLU 106           H        GLU 106   3.688 -14.720  -5.675
  798    HA   GLU 106           HA       GLU 106   3.238 -12.037  -6.014
  799   1HB   GLU 106          1HB       GLU 106   1.622 -13.835  -6.537
  800   2HB   GLU 106          2HB       GLU 106   1.298 -14.021  -4.820
  801   1HG   GLU 106          1HG       GLU 106   0.426 -11.756  -4.720
  802   2HG   GLU 106          2HG       GLU 106   0.792 -11.527  -6.430
  803    H    CYS 107           H        CYS 107   2.348 -13.777  -3.023
  804    HA   CYS 107           HA       CYS 107   1.768 -11.530  -1.505
  805   1HB   CYS 107          1HB       CYS 107   2.783 -14.218  -0.575
  806   2HB   CYS 107          2HB       CYS 107   2.022 -13.008   0.455
  807    H    ASN 108           H        ASN 108   4.847 -12.787  -2.414
  808    HA   ASN 108           HA       ASN 108   6.281 -11.498  -0.264
  809   1HB   ASN 108          1HB       ASN 108   7.176 -12.918  -2.769
  810   2HB   ASN 108          2HB       ASN 108   8.304 -12.146  -1.660
  811   1HD2  ASN 108          1HD2      ASN 108   9.291 -14.083  -1.143
  812   2HD2  ASN 108          2HD2      ASN 108   8.530 -15.276  -0.152
  813    H    ILE 109           H        ILE 109   5.375 -10.770  -3.556
  814    HA   ILE 109           HA       ILE 109   7.158  -8.611  -3.972
  815    HB   ILE 109           HB       ILE 109   4.460  -9.143  -5.221
  816   1HG1  ILE 109          1HG1      ILE 109   7.210  -9.614  -6.375
  817   2HG1  ILE 109          2HG1      ILE 109   6.289 -10.859  -5.541
  818   1HG2  ILE 109          1HG2      ILE 109   6.638  -7.236  -6.065
  819   2HG2  ILE 109          2HG2      ILE 109   5.059  -6.793  -5.414
  820   3HG2  ILE 109          3HG2      ILE 109   5.174  -7.593  -6.982
  821   1HD1  ILE 109          1HD1      ILE 109   5.430  -9.414  -8.034
  822   2HD1  ILE 109          2HD1      ILE 109   4.526 -10.681  -7.206
  823   3HD1  ILE 109          3HD1      ILE 109   6.079 -11.051  -7.955
  824    H    GLY 110           H        GLY 110   3.883  -8.829  -2.660
  825   1HA   GLY 110          1HA       GLY 110   3.671  -5.961  -2.352
  826   2HA   GLY 110          2HA       GLY 110   2.497  -7.160  -1.833
  827    H    ASN 111           H        ASN 111   4.310  -8.752  -0.284
  828    HA   ASN 111           HA       ASN 111   4.067  -7.492   2.187
  829   1HB   ASN 111          1HB       ASN 111   4.334  -9.923   1.950
  830   2HB   ASN 111          2HB       ASN 111   6.005  -9.693   1.443
  831   1HD2  ASN 111          1HD2      ASN 111   4.365  -7.846   3.901
  832   2HD2  ASN 111          2HD2      ASN 111   5.291  -8.435   5.228
  833    H    LYS 112           H        LYS 112   6.930  -7.829   0.107
  834    HA   LYS 112           HA       LYS 112   8.791  -6.558   1.718
  835   1HB   LYS 112          1HB       LYS 112   8.510  -6.630  -1.285
  836   2HB   LYS 112          2HB       LYS 112   9.892  -5.901  -0.481
  837   1HG   LYS 112          1HG       LYS 112   9.051  -8.763  -0.094
  838   2HG   LYS 112          2HG       LYS 112  10.248  -8.236  -1.276
  839   1HD   LYS 112          1HD       LYS 112  11.610  -7.295   0.534
  840   2HD   LYS 112          2HD       LYS 112  10.414  -7.842   1.712
  841   1HE   LYS 112          1HE       LYS 112  10.822 -10.151   1.099
  842   2HE   LYS 112          2HE       LYS 112  11.945  -9.643  -0.162
  843   1HZ   LYS 112          1HZ       LYS 112  13.103 -10.369   1.831
  844   2HZ   LYS 112          2HZ       LYS 112  12.309  -9.192   2.751
  845   3HZ   LYS 112          3HZ       LYS 112  13.392  -8.728   1.535
  846    H    TYR 113           H        TYR 113   6.159  -5.225  -0.108
  847    HA   TYR 113           HA       TYR 113   7.150  -2.505   0.065
  848   1HB   TYR 113          1HB       TYR 113   5.795  -3.491  -1.867
  849   2HB   TYR 113          2HB       TYR 113   4.395  -3.359  -0.809
  850    HD1  TYR 113           1HD      TYR 113   3.113  -1.440  -0.971
  851    HD2  TYR 113           2HD      TYR 113   7.223  -1.259  -2.043
  852    HE1  TYR 113           1HE      TYR 113   2.821   0.899  -1.674
  853    HE2  TYR 113           2HE      TYR 113   6.948   1.075  -2.742
  854    HH   TYR 113           HH       TYR 113   4.207   2.917  -1.978
  855    H    THR 114           H        THR 114   4.064  -3.994   1.068
  856    HA   THR 114           HA       THR 114   3.204  -1.961   2.721
  857    HB   THR 114           HB       THR 114   1.743  -3.780   2.027
  858    HG1  THR 114           1HG      THR 114   1.678  -2.602   4.282
  859   1HG2  THR 114          1HG2      THR 114   3.233  -5.501   4.013
  860   2HG2  THR 114          2HG2      THR 114   3.403  -5.611   2.261
  861   3HG2  THR 114          3HG2      THR 114   1.856  -5.980   3.021
  862    H    ASP 115           H        ASP 115   5.100  -4.821   3.623
  863    HA   ASP 115           HA       ASP 115   5.273  -4.758   6.286
  864   1HB   ASP 115          1HB       ASP 115   6.564  -6.287   4.850
  865   2HB   ASP 115          2HB       ASP 115   7.673  -4.970   4.457
  866    H    CYS 116           H        CYS 116   7.459  -2.784   4.273
  867    HA   CYS 116           HA       CYS 116   8.493  -1.392   6.563
  868   1HB   CYS 116          1HB       CYS 116   9.520   0.036   4.612
  869   2HB   CYS 116          2HB       CYS 116  10.100  -1.599   4.924
  870    H    TYR 117           H        TYR 117   6.120  -0.677   4.055
  871    HA   TYR 117           HA       TYR 117   5.933   2.077   4.424
  872   1HB   TYR 117          1HB       TYR 117   4.704   0.324   2.782
  873   2HB   TYR 117          2HB       TYR 117   3.392   0.647   3.913
  874    HD1  TYR 117           1HD      TYR 117   1.954   2.368   3.360
  875    HD2  TYR 117           2HD      TYR 117   5.987   2.568   2.022
  876    HE1  TYR 117           1HE      TYR 117   1.455   4.468   2.189
  877    HE2  TYR 117           2HE      TYR 117   5.499   4.671   0.844
  878    HH   TYR 117           HH       TYR 117   3.572   5.856  -0.084
  879    H    ILE 118           H        ILE 118   4.618  -0.562   6.306
  880    HA   ILE 118           HA       ILE 118   2.971   1.177   7.934
  881    HB   ILE 118           HB       ILE 118   3.686  -1.718   8.411
  882   1HG1  ILE 118          1HG1      ILE 118   1.243  -0.557   7.054
  883   2HG1  ILE 118          2HG1      ILE 118   2.575  -1.348   6.218
  884   1HG2  ILE 118          1HG2      ILE 118   2.860  -0.587  10.397
  885   2HG2  ILE 118          2HG2      ILE 118   1.659  -1.730   9.797
  886   3HG2  ILE 118          3HG2      ILE 118   1.458  -0.002   9.501
  887   1HD1  ILE 118          1HD1      ILE 118   0.721  -2.865   6.456
  888   2HD1  ILE 118          2HD1      ILE 118   0.703  -2.616   8.202
  889   3HD1  ILE 118          3HD1      ILE 118   2.075  -3.421   7.440
  890    H    GLU 119           H        GLU 119   6.203   0.034   7.896
  891    HA   GLU 119           HA       GLU 119   6.741   0.159  10.680
  892   1HB   GLU 119          1HB       GLU 119   8.146  -1.087   9.073
  893   2HB   GLU 119          2HB       GLU 119   8.659   0.436   8.360
  894   1HG   GLU 119          1HG       GLU 119   9.725   1.088  10.427
  895   2HG   GLU 119          2HG       GLU 119   9.141  -0.376  11.219
  896    H    LYS 120           H        LYS 120   7.657   2.406   8.044
  897    HA   LYS 120           HA       LYS 120   8.329   4.444   9.987
  898   1HB   LYS 120          1HB       LYS 120   8.358   4.500   6.974
  899   2HB   LYS 120          2HB       LYS 120   8.993   5.765   8.017
  900   1HG   LYS 120          1HG       LYS 120  10.567   4.078   8.974
  901   2HG   LYS 120          2HG       LYS 120  10.011   2.949   7.736
  902   1HD   LYS 120          1HD       LYS 120  10.741   4.495   5.992
  903   2HD   LYS 120          2HD       LYS 120  11.274   5.641   7.224
  904   1HE   LYS 120          1HE       LYS 120  12.361   2.862   6.779
  905   2HE   LYS 120          2HE       LYS 120  13.159   4.373   6.346
  906   1HZ   LYS 120          1HZ       LYS 120  14.019   3.497   8.419
  907   2HZ   LYS 120          2HZ       LYS 120  12.471   3.499   9.101
  908   3HZ   LYS 120          3HZ       LYS 120  13.218   4.963   8.695
  909    H    LEU 121           H        LEU 121   6.014   4.183   7.274
  910    HA   LEU 121           HA       LEU 121   4.715   6.635   8.171
  911   1HB   LEU 121          1HB       LEU 121   5.230   5.622   5.689
  912   2HB   LEU 121          2HB       LEU 121   3.548   5.185   5.905
  913    HG   LEU 121           HG       LEU 121   3.752   7.298   4.728
  914   1HD1  LEU 121          1HD1      LEU 121   2.694   7.692   7.515
  915   2HD1  LEU 121          2HD1      LEU 121   1.817   6.963   6.171
  916   3HD1  LEU 121          3HD1      LEU 121   2.289   8.661   6.098
  917   1HD2  LEU 121          1HD2      LEU 121   5.878   8.060   5.582
  918   2HD2  LEU 121          2HD2      LEU 121   5.193   8.256   7.193
  919   3HD2  LEU 121          3HD2      LEU 121   4.648   9.288   5.870
  920    H    PHE 122           H        PHE 122   4.323   3.302   8.692
  921    HA   PHE 122           HA       PHE 122   2.697   2.117   9.767
  922   1HB   PHE 122          1HB       PHE 122   2.006   3.412  11.465
  923   2HB   PHE 122          2HB       PHE 122   2.138   4.873  10.497
  924    HD1  PHE 122           1HD      PHE 122  -0.084   2.102  11.452
  925    HD2  PHE 122           2HD      PHE 122   0.228   5.887   9.532
  926    HE1  PHE 122           1HE      PHE 122  -2.533   2.266  11.387
  927    HE2  PHE 122           2HE      PHE 122  -2.226   6.062   9.470
  928    HZ   PHE 122           HZ       PHE 122  -3.612   4.251  10.400
  929    H    SER 123           H        SER 123   2.096   4.034   7.034
  930    HA   SER 123           HA       SER 123  -0.582   3.195   6.501
  931   1HB   SER 123          1HB       SER 123   1.527   4.326   4.646
  932   2HB   SER 123          2HB       SER 123  -0.178   4.124   4.241
  933    HG   SER 123           HG       SER 123  -0.384   6.041   5.067
  934   1H4   TSD 124          1H4       TSP 124  -2.807  -1.528   4.753
  935   2H4   TSD 124          2H4       TSP 124  -1.575  -0.867   5.803
  936   3H4   TSD 124          3H4       TSP 124  -1.688  -0.332   4.142
  937   1H5   TSD 124          1H5       TSP 124  -3.041   3.063   5.455
  938   2H5   TSD 124          2H5       TSP 124  -3.493   2.455   3.879
  939   3H5   TSD 124          3H5       TSP 124  -1.862   2.226   4.471
  940   1H6   TSD 124          1H6       TSP 124  -2.754   0.111   7.754
  941   2H6   TSD 124          2H6       TSP 124  -4.414   0.658   7.686
  942   3H6   TSD 124          3H6       TSP 124  -3.107   1.817   7.609
  943   1D3   TSD 124          1D3       TSP 124  -5.351  -0.682   5.377
  944   2D3   TSD 124          2D3       TSP 124  -5.751   1.020   5.294
  945   1D2   TSD 124          1D2       TSP 124  -4.598  -0.628   3.019
  946   2D2   TSD 124          2D2       TSP 124  -5.002   1.086   2.936
  Start of MODEL   10
    1    HA   ILE   1           HA       ILE   1   1.058  13.568  11.138
    2    HB   ILE   1           HB       ILE   1   0.492  12.989   8.813
    3   1HG1  ILE   1          1HG1      ILE   1   1.983  10.411   9.352
    4   2HG1  ILE   1          2HG1      ILE   1   0.233  10.539   9.208
    5   1HG2  ILE   1          1HG2      ILE   1   3.374  12.486   9.540
    6   2HG2  ILE   1          2HG2      ILE   1   2.621  14.062   9.304
    7   3HG2  ILE   1          3HG2      ILE   1   2.784  12.951   7.945
    8   1HD1  ILE   1          1HD1      ILE   1   0.497  11.324   6.901
    9   2HD1  ILE   1          2HD1      ILE   1   1.197   9.724   7.154
   10   3HD1  ILE   1          3HD1      ILE   1   2.244  11.138   7.055
   11    H    ASP   2           H        ASP   2  -1.160  13.334   9.745
   12    HA   ASP   2           HA       ASP   2  -3.048  12.306  11.614
   13   1HB   ASP   2          1HB       ASP   2  -3.407  13.401   8.817
   14   2HB   ASP   2          2HB       ASP   2  -4.731  13.026   9.917
   15    H    GLN   3           H        GLN   3  -3.885  10.346  11.752
   16    HA   GLN   3           HA       GLN   3  -3.164   8.269   9.941
   17   1HB   GLN   3          1HB       GLN   3  -4.780   6.911  11.328
   18   2HB   GLN   3          2HB       GLN   3  -3.469   7.669  12.224
   19   1HG   GLN   3          1HG       GLN   3  -4.956   9.416  12.985
   20   2HG   GLN   3          2HG       GLN   3  -6.269   8.754  12.013
   21   1HE2  GLN   3          1HE2      GLN   3  -7.276   6.854  12.662
   22   2HE2  GLN   3          2HE2      GLN   3  -7.114   6.229  14.265
   23    H    ASP   4           H        ASP   4  -6.055  10.172  10.506
   24    HA   ASP   4           HA       ASP   4  -7.883   8.801   8.941
   25   1HB   ASP   4          1HB       ASP   4  -9.061  10.994   8.725
   26   2HB   ASP   4          2HB       ASP   4  -8.602  10.597  10.378
   27    H    THR   5           H        THR   5  -5.685  11.425   7.960
   28    HA   THR   5           HA       THR   5  -6.467  11.675   5.304
   29    HB   THR   5           HB       THR   5  -4.205  12.539   4.848
   30    HG1  THR   5           1HG      THR   5  -2.671  11.687   6.031
   31   1HG2  THR   5          1HG2      THR   5  -4.248  14.385   6.474
   32   2HG2  THR   5          2HG2      THR   5  -5.387  13.475   7.466
   33   3HG2  THR   5          3HG2      THR   5  -5.860  14.019   5.856
   34    H    VAL   6           H        VAL   6  -4.684   9.156   6.843
   35    HA   VAL   6           HA       VAL   6  -3.647   8.098   4.352
   36    HB   VAL   6           HB       VAL   6  -3.564   6.922   7.133
   37   1HG1  VAL   6          1HG1      VAL   6  -1.793   5.485   6.246
   38   2HG1  VAL   6          2HG1      VAL   6  -2.053   6.161   4.638
   39   3HG1  VAL   6          3HG1      VAL   6  -3.324   5.218   5.414
   40   1HG2  VAL   6          1HG2      VAL   6  -1.476   8.462   5.597
   41   2HG2  VAL   6          2HG2      VAL   6  -1.250   7.710   7.176
   42   3HG2  VAL   6          3HG2      VAL   6  -2.381   9.050   6.990
   43    H    VAL   7           H        VAL   7  -5.663   6.695   6.942
   44    HA   VAL   7           HA       VAL   7  -6.551   4.501   5.454
   45    HB   VAL   7           HB       VAL   7  -7.941   5.854   7.766
   46   1HG1  VAL   7          1HG1      VAL   7  -9.444   4.361   6.595
   47   2HG1  VAL   7          2HG1      VAL   7  -8.967   3.640   8.133
   48   3HG1  VAL   7          3HG1      VAL   7  -8.239   3.076   6.629
   49   1HG2  VAL   7          1HG2      VAL   7  -5.950   3.590   7.723
   50   2HG2  VAL   7          2HG2      VAL   7  -6.803   4.181   9.150
   51   3HG2  VAL   7          3HG2      VAL   7  -5.652   5.224   8.311
   52    H    ALA   8           H        ALA   8  -8.468   7.379   6.339
   53    HA   ALA   8           HA       ALA   8 -10.719   6.818   4.852
   54   1HB   ALA   8          1HB       ALA   8 -11.266   9.173   5.015
   55   2HB   ALA   8          2HB       ALA   8  -9.593   9.553   5.424
   56   3HB   ALA   8          3HB       ALA   8 -10.577   8.595   6.531
   57    H    LYS   9           H        LYS   9  -7.663   8.088   3.680
   58    HA   LYS   9           HA       LYS   9  -8.863   8.864   1.150
   59   1HB   LYS   9          1HB       LYS   9  -6.041   8.985   2.184
   60   2HB   LYS   9          2HB       LYS   9  -6.466   9.406   0.532
   61   1HG   LYS   9          1HG       LYS   9  -7.755  10.721   2.903
   62   2HG   LYS   9          2HG       LYS   9  -6.257  11.313   2.186
   63   1HD   LYS   9          1HD       LYS   9  -7.699  12.565   0.963
   64   2HD   LYS   9          2HD       LYS   9  -7.747  11.108  -0.031
   65   1HE   LYS   9          1HE       LYS   9  -9.760  10.368   1.122
   66   2HE   LYS   9          2HE       LYS   9  -9.696  11.783   2.173
   67   1HZ   LYS   9          1HZ       LYS   9 -10.022  13.194   0.248
   68   2HZ   LYS   9          2HZ       LYS   9 -11.280  12.071   0.366
   69   3HZ   LYS   9          3HZ       LYS   9 -10.051  11.847  -0.776
   70    H    TYR  10           H        TYR  10  -6.206   6.660   2.082
   71    HA   TYR  10           HA       TYR  10  -5.889   5.393  -0.349
   72   1HB   TYR  10          1HB       TYR  10  -5.449   4.506   2.478
   73   2HB   TYR  10          2HB       TYR  10  -5.255   3.348   1.169
   74    HD1  TYR  10           1HD      TYR  10  -3.755   4.288  -0.850
   75    HD2  TYR  10           2HD      TYR  10  -3.569   5.630   3.182
   76    HE1  TYR  10           1HE      TYR  10  -1.472   5.115  -1.237
   77    HE2  TYR  10           2HE      TYR  10  -1.285   6.460   2.805
   78    HH   TYR  10           HH       TYR  10   0.593   6.056   1.289
   79    H    MET  11           H        MET  11  -8.393   4.980   2.027
   80    HA   MET  11           HA       MET  11  -9.398   2.516   0.957
   81   1HB   MET  11          1HB       MET  11 -10.405   4.502   2.975
   82   2HB   MET  11          2HB       MET  11 -11.429   3.189   2.421
   83   1HG   MET  11          1HG       MET  11  -8.738   2.886   3.735
   84   2HG   MET  11          2HG       MET  11 -10.301   2.650   4.514
   85   1HE   MET  11          1HE       MET  11 -11.686  -0.498   2.658
   86   2HE   MET  11          2HE       MET  11 -11.998   1.202   2.305
   87   3HE   MET  11          3HE       MET  11 -11.946   0.643   3.977
   88    H    GLU  12           H        GLU  12 -10.827   5.780   1.109
   89    HA   GLU  12           HA       GLU  12 -12.908   5.297  -0.688
   90   1HB   GLU  12          1HB       GLU  12 -12.804   7.223   0.849
   91   2HB   GLU  12          2HB       GLU  12 -11.508   7.913  -0.116
   92   1HG   GLU  12          1HG       GLU  12 -13.018   8.102  -2.022
   93   2HG   GLU  12          2HG       GLU  12 -14.319   7.398  -1.060
   94    H    TYR  13           H        TYR  13  -9.564   5.895  -1.262
   95    HA   TYR  13           HA       TYR  13  -9.696   6.975  -3.858
   96   1HB   TYR  13          1HB       TYR  13  -7.684   6.751  -2.212
   97   2HB   TYR  13          2HB       TYR  13  -7.452   5.185  -2.977
   98    HD1  TYR  13           1HD      TYR  13  -6.262   8.377  -2.990
   99    HD2  TYR  13           2HD      TYR  13  -7.719   5.469  -5.734
  100    HE1  TYR  13           1HE      TYR  13  -4.996   9.459  -4.799
  101    HE2  TYR  13           2HE      TYR  13  -6.461   6.545  -7.549
  102    HH   TYR  13           HH       TYR  13  -5.513   8.749  -8.076
  103    H    LEU  14           H        LEU  14  -9.333   3.598  -2.757
  104    HA   LEU  14           HA       LEU  14 -10.331   2.739  -5.379
  105   1HB   LEU  14          1HB       LEU  14  -7.894   1.634  -3.987
  106   2HB   LEU  14          2HB       LEU  14  -8.637   0.925  -5.405
  107    HG   LEU  14           HG       LEU  14  -7.491   3.711  -5.334
  108   1HD1  LEU  14          1HD1      LEU  14  -5.588   2.793  -6.544
  109   2HD1  LEU  14          2HD1      LEU  14  -6.253   1.169  -6.378
  110   3HD1  LEU  14          3HD1      LEU  14  -5.736   2.061  -4.948
  111   1HD2  LEU  14          1HD2      LEU  14  -7.599   3.520  -7.775
  112   2HD2  LEU  14          2HD2      LEU  14  -9.194   3.377  -7.037
  113   3HD2  LEU  14          3HD2      LEU  14  -8.357   1.936  -7.614
  114    H    MET  15           H        MET  15 -11.727   2.863  -2.873
  115    HA   MET  15           HA       MET  15 -11.799   0.497  -1.440
  116   1HB   MET  15          1HB       MET  15 -13.010   2.676  -0.949
  117   2HB   MET  15          2HB       MET  15 -14.248   2.133  -2.073
  118   1HG   MET  15          1HG       MET  15 -14.673   0.182  -0.705
  119   2HG   MET  15          2HG       MET  15 -13.381   0.659   0.395
  120   1HE   MET  15          1HE       MET  15 -13.485   2.712   2.017
  121   2HE   MET  15          2HE       MET  15 -14.802   3.884   2.048
  122   3HE   MET  15          3HE       MET  15 -13.741   3.786   0.642
  123    HA   PRO  16           HA       PRO  16 -15.160  -1.216  -4.471
  124   1HB   PRO  16          1HB       PRO  16 -15.376  -0.106  -6.918
  125   2HB   PRO  16          2HB       PRO  16 -16.271   0.508  -5.523
  126   1HG   PRO  16          1HG       PRO  16 -13.704   1.507  -6.710
  127   2HG   PRO  16          2HG       PRO  16 -15.136   2.433  -6.218
  128   1HD   PRO  16          1HD       PRO  16 -12.954   2.241  -4.653
  129   2HD   PRO  16          2HD       PRO  16 -14.592   2.316  -3.973
  130    H    ASP  17           H        ASP  17 -11.962  -0.360  -5.223
  131    HA   ASP  17           HA       ASP  17 -11.743  -2.418  -7.300
  132   1HB   ASP  17          1HB       ASP  17  -9.722  -0.365  -6.388
  133   2HB   ASP  17          2HB       ASP  17  -9.502  -1.493  -7.720
  134    H    ILE  18           H        ILE  18 -11.187  -1.905  -3.986
  135    HA   ILE  18           HA       ILE  18  -9.052  -3.826  -3.702
  136    HB   ILE  18           HB       ILE  18 -10.804  -2.460  -1.652
  137   1HG1  ILE  18          1HG1      ILE  18  -7.854  -2.087  -2.135
  138   2HG1  ILE  18          2HG1      ILE  18  -9.061  -1.142  -2.992
  139   1HG2  ILE  18          1HG2      ILE  18  -8.449  -4.297  -1.232
  140   2HG2  ILE  18          2HG2      ILE  18 -10.122  -4.603  -0.767
  141   3HG2  ILE  18          3HG2      ILE  18  -9.206  -3.319   0.024
  142   1HD1  ILE  18          1HD1      ILE  18  -8.674  -1.236  -0.011
  143   2HD1  ILE  18          2HD1      ILE  18  -9.900  -0.294  -0.859
  144   3HD1  ILE  18          3HD1      ILE  18  -8.189   0.073  -1.087
  145    H    MET  19           H        MET  19 -12.506  -3.700  -2.879
  146    HA   MET  19           HA       MET  19 -12.853  -6.162  -1.723
  147   1HB   MET  19          1HB       MET  19 -14.743  -4.743  -3.600
  148   2HB   MET  19          2HB       MET  19 -15.190  -6.073  -2.542
  149   1HG   MET  19          1HG       MET  19 -14.635  -4.734  -0.593
  150   2HG   MET  19          2HG       MET  19 -14.131  -3.406  -1.637
  151   1HE   MET  19          1HE       MET  19 -17.133  -5.583  -0.372
  152   2HE   MET  19          2HE       MET  19 -17.214  -5.823  -2.117
  153   3HE   MET  19          3HE       MET  19 -18.481  -4.913  -1.293
  154    HA   PRO  20           HA       PRO  20 -13.701  -7.823  -6.440
  155   1HB   PRO  20          1HB       PRO  20 -11.121  -6.492  -7.201
  156   2HB   PRO  20          2HB       PRO  20 -12.479  -6.968  -8.228
  157   1HG   PRO  20          1HG       PRO  20 -12.186  -4.439  -7.435
  158   2HG   PRO  20          2HG       PRO  20 -13.790  -5.184  -7.552
  159   1HD   PRO  20          1HD       PRO  20 -12.232  -4.443  -5.156
  160   2HD   PRO  20          2HD       PRO  20 -13.981  -4.658  -5.342
  161    H    CYS  21           H        CYS  21 -10.268  -7.279  -5.528
  162    HA   CYS  21           HA       CYS  21  -9.602  -9.990  -6.066
  163   1HB   CYS  21          1HB       CYS  21  -8.072  -7.755  -4.760
  164   2HB   CYS  21          2HB       CYS  21  -7.413  -9.376  -4.908
  165    H    ALA  22           H        ALA  22 -10.701  -8.337  -3.217
  166    HA   ALA  22           HA       ALA  22  -9.749  -9.978  -1.200
  167   1HB   ALA  22          1HB       ALA  22 -11.651  -9.272   0.121
  168   2HB   ALA  22          2HB       ALA  22 -12.507  -8.762  -1.333
  169   3HB   ALA  22          3HB       ALA  22 -11.049  -7.911  -0.826
  170    H    ASP  23           H        ASP  23 -12.597 -10.425  -3.255
  171    HA   ASP  23           HA       ASP  23 -13.203 -12.988  -2.042
  172   1HB   ASP  23          1HB       ASP  23 -15.048 -11.550  -2.768
  173   2HB   ASP  23          2HB       ASP  23 -14.432 -11.566  -4.418
  174    H    GLU  24           H        GLU  24 -11.236 -11.780  -4.503
  175    HA   GLU  24           HA       GLU  24 -11.328 -13.894  -6.367
  176   1HB   GLU  24          1HB       GLU  24 -10.380 -11.570  -6.697
  177   2HB   GLU  24          2HB       GLU  24  -8.952 -12.126  -5.840
  178   1HG   GLU  24          1HG       GLU  24  -8.573 -12.253  -8.208
  179   2HG   GLU  24          2HG       GLU  24  -8.642 -13.881  -7.534
  180    H    LEU  25           H        LEU  25  -8.887 -13.221  -3.796
  181    HA   LEU  25           HA       LEU  25  -7.736 -15.850  -4.296
  182   1HB   LEU  25          1HB       LEU  25  -6.951 -13.984  -2.071
  183   2HB   LEU  25          2HB       LEU  25  -5.971 -15.205  -2.870
  184    HG   LEU  25           HG       LEU  25  -6.603 -13.498  -4.942
  185   1HD1  LEU  25          1HD1      LEU  25  -5.894 -11.778  -2.589
  186   2HD1  LEU  25          2HD1      LEU  25  -7.540 -11.959  -3.191
  187   3HD1  LEU  25          3HD1      LEU  25  -6.293 -11.271  -4.231
  188   1HD2  LEU  25          1HD2      LEU  25  -4.429 -14.481  -4.583
  189   2HD2  LEU  25          2HD2      LEU  25  -4.191 -13.497  -3.138
  190   3HD2  LEU  25          3HD2      LEU  25  -4.272 -12.730  -4.724
  191    H    HIS  26           H        HIS  26  -9.424 -14.180  -1.642
  192    HA   HIS  26           HA       HIS  26 -10.774 -16.453  -0.758
  193   1HB   HIS  26          1HB       HIS  26  -8.363 -17.101  -0.149
  194   2HB   HIS  26          2HB       HIS  26  -8.471 -15.860   1.093
  195    HD1  HIS  26           1HD      HIS  26 -10.808 -18.688   0.049
  196    HD2  HIS  26           2HD      HIS  26  -9.022 -17.074   3.434
  197    HE1  HIS  26           1HE      HIS  26 -11.636 -20.078   1.973
  198    HE2  HIS  26           2HE      HIS  26 -10.498 -19.120   4.006
  199    H    ILE  27           H        ILE  27  -8.956 -13.880   0.815
  200    HA   ILE  27           HA       ILE  27 -11.393 -12.522   1.676
  201    HB   ILE  27           HB       ILE  27 -10.121 -12.413   4.013
  202   1HG1  ILE  27          1HG1      ILE  27  -9.520 -15.254   3.402
  203   2HG1  ILE  27          2HG1      ILE  27  -8.409 -14.060   2.725
  204   1HG2  ILE  27          1HG2      ILE  27 -12.415 -13.186   3.682
  205   2HG2  ILE  27          2HG2      ILE  27 -11.551 -14.233   4.807
  206   3HG2  ILE  27          3HG2      ILE  27 -11.815 -14.756   3.144
  207   1HD1  ILE  27          1HD1      ILE  27  -9.097 -14.495   5.627
  208   2HD1  ILE  27          2HD1      ILE  27  -8.124 -13.153   5.027
  209   3HD1  ILE  27          3HD1      ILE  27  -7.558 -14.810   4.826
  210    H    SER  28           H        SER  28 -10.880 -10.389   2.667
  211    HA   SER  28           HA       SER  28  -8.611  -9.176   1.340
  212   1HB   SER  28          1HB       SER  28  -9.559  -7.067   1.941
  213   2HB   SER  28          2HB       SER  28 -10.897  -8.097   1.440
  214    HG   SER  28           HG       SER  28 -10.124  -7.416   4.078
  215    H    GLU  29           H        GLU  29  -7.205  -7.639   2.570
  216    HA   GLU  29           HA       GLU  29  -6.061  -9.002   4.804
  217   1HB   GLU  29          1HB       GLU  29  -4.502  -7.014   4.843
  218   2HB   GLU  29          2HB       GLU  29  -4.535  -7.936   3.347
  219   1HG   GLU  29          1HG       GLU  29  -4.487  -5.663   2.743
  220   2HG   GLU  29          2HG       GLU  29  -6.130  -6.226   2.441
  221    H    ASP  30           H        ASP  30  -8.725  -7.136   4.664
  222    HA   ASP  30           HA       ASP  30  -8.274  -5.600   7.087
  223   1HB   ASP  30          1HB       ASP  30  -9.614  -4.606   5.291
  224   2HB   ASP  30          2HB       ASP  30 -10.760  -5.939   5.389
  225    H    ILE  31           H        ILE  31 -10.037  -8.445   6.017
  226    HA   ILE  31           HA       ILE  31 -10.952  -8.943   8.762
  227    HB   ILE  31           HB       ILE  31 -11.719 -10.463   6.268
  228   1HG1  ILE  31          1HG1      ILE  31 -12.374  -8.111   6.027
  229   2HG1  ILE  31          2HG1      ILE  31 -13.786  -9.135   6.251
  230   1HG2  ILE  31          1HG2      ILE  31 -13.642 -11.178   7.634
  231   2HG2  ILE  31          2HG2      ILE  31 -12.956 -10.318   9.012
  232   3HG2  ILE  31          3HG2      ILE  31 -12.097 -11.691   8.314
  233   1HD1  ILE  31          1HD1      ILE  31 -13.970  -7.064   7.509
  234   2HD1  ILE  31          2HD1      ILE  31 -12.485  -7.448   8.376
  235   3HD1  ILE  31          3HD1      ILE  31 -13.915  -8.459   8.585
  236    H    ALA  32           H        ALA  32  -8.591  -9.852   6.502
  237    HA   ALA  32           HA       ALA  32  -8.171 -12.553   7.102
  238   1HB   ALA  32          1HB       ALA  32  -6.153 -10.471   6.271
  239   2HB   ALA  32          2HB       ALA  32  -7.142 -11.453   5.191
  240   3HB   ALA  32          3HB       ALA  32  -5.918 -12.217   6.203
  241    H    THR  33           H        THR  33  -7.606  -9.744   8.976
  242    HA   THR  33           HA       THR  33  -5.528 -10.884  10.626
  243    HB   THR  33           HB       THR  33  -5.587  -8.462  10.251
  244    HG1  THR  33           1HG      THR  33  -5.134  -7.944  12.355
  245   1HG2  THR  33          1HG2      THR  33  -8.159  -8.507  11.834
  246   2HG2  THR  33          2HG2      THR  33  -8.028  -8.190  10.104
  247   3HG2  THR  33          3HG2      THR  33  -7.313  -7.069  11.263
  248    H    ASN  34           H        ASN  34  -7.940 -12.436  10.467
  249    HA   ASN  34           HA       ASN  34  -9.493 -12.077  12.830
  250   1HB   ASN  34          1HB       ASN  34 -10.335 -13.260  10.817
  251   2HB   ASN  34          2HB       ASN  34  -9.178 -14.552  11.116
  252   1HD2  ASN  34          1HD2      ASN  34 -10.896 -12.844  13.637
  253   2HD2  ASN  34          2HD2      ASN  34 -11.878 -14.175  14.135
  254    H    ILE  35           H        ILE  35  -6.366 -13.065  12.384
  255    HA   ILE  35           HA       ILE  35  -6.392 -14.632  14.877
  256    HB   ILE  35           HB       ILE  35  -4.292 -15.714  14.070
  257   1HG1  ILE  35          1HG1      ILE  35  -3.974 -13.854  12.275
  258   2HG1  ILE  35          2HG1      ILE  35  -3.502 -15.504  11.889
  259   1HG2  ILE  35          1HG2      ILE  35  -6.809 -16.155  12.480
  260   2HG2  ILE  35          2HG2      ILE  35  -6.358 -16.922  14.003
  261   3HG2  ILE  35          3HG2      ILE  35  -5.450 -17.277  12.534
  262   1HD1  ILE  35          1HD1      ILE  35  -5.471 -15.825  10.574
  263   2HD1  ILE  35          2HD1      ILE  35  -4.701 -14.322  10.068
  264   3HD1  ILE  35          3HD1      ILE  35  -6.132 -14.276  11.095
  265    H    GLN  36           H        GLN  36  -4.907 -12.070  13.035
  266    HA   GLN  36           HA       GLN  36  -3.474 -10.397  13.597
  267   1HB   GLN  36          1HB       GLN  36  -4.064 -11.218  16.445
  268   2HB   GLN  36          2HB       GLN  36  -3.381  -9.685  15.924
  269   1HG   GLN  36          1HG       GLN  36  -5.441  -9.127  14.777
  270   2HG   GLN  36          2HG       GLN  36  -6.128 -10.690  15.215
  271   1HE2  GLN  36          1HE2      GLN  36  -7.094  -8.021  15.821
  272   2HE2  GLN  36          2HE2      GLN  36  -7.181  -7.914  17.544
  273    H    ALA  37           H        ALA  37  -1.445 -10.790  13.003
  274    HA   ALA  37           HA       ALA  37   0.082 -12.945  14.152
  275   1HB   ALA  37          1HB       ALA  37   0.238 -12.408  11.767
  276   2HB   ALA  37          2HB       ALA  37   1.807 -12.313  12.567
  277   3HB   ALA  37          3HB       ALA  37   0.928 -10.836  12.172
  278    H    ALA  38           H        ALA  38   1.126  -9.567  13.638
  279    HA   ALA  38           HA       ALA  38   1.606  -9.021  16.368
  280   1HB   ALA  38          1HB       ALA  38   3.325 -10.744  16.106
  281   2HB   ALA  38          2HB       ALA  38   4.033  -9.164  16.443
  282   3HB   ALA  38          3HB       ALA  38   4.059  -9.811  14.803
  283    H    LYS  39           H        LYS  39   3.350  -8.392  13.302
  284    HA   LYS  39           HA       LYS  39   3.968  -5.735  13.821
  285   1HB   LYS  39          1HB       LYS  39   4.928  -7.090  11.980
  286   2HB   LYS  39          2HB       LYS  39   3.403  -6.960  11.117
  287   1HG   LYS  39          1HG       LYS  39   4.970  -5.377  10.220
  288   2HG   LYS  39          2HG       LYS  39   3.681  -4.508  11.055
  289   1HD   LYS  39          1HD       LYS  39   5.126  -4.228  13.006
  290   2HD   LYS  39          2HD       LYS  39   6.411  -5.119  12.188
  291   1HE   LYS  39          1HE       LYS  39   6.503  -3.403  10.452
  292   2HE   LYS  39          2HE       LYS  39   5.201  -2.521  11.247
  293   1HZ   LYS  39          1HZ       LYS  39   7.374  -1.597  11.777
  294   2HZ   LYS  39          2HZ       LYS  39   7.869  -3.078  12.428
  295   3HZ   LYS  39          3HZ       LYS  39   6.623  -2.205  13.166
  296    H    ASN  40           H        ASN  40   1.335  -6.856  11.679
  297    HA   ASN  40           HA       ASN  40  -0.169  -4.454  12.472
  298   1HB   ASN  40          1HB       ASN  40  -0.993  -4.166  10.233
  299   2HB   ASN  40          2HB       ASN  40   0.764  -4.245  10.169
  300   1HD2  ASN  40          1HD2      ASN  40   0.929  -7.100  10.470
  301   2HD2  ASN  40          2HD2      ASN  40   0.376  -7.795   8.990
  302    H    GLY  41           H        GLY  41  -0.195  -7.857  11.860
  303   1HA   GLY  41          1HA       GLY  41  -1.857  -9.174  13.036
  304   2HA   GLY  41          2HA       GLY  41  -3.028  -7.915  12.672
  305    H    ALA  42           H        ALA  42  -1.583  -7.914   9.888
  306    HA   ALA  42           HA       ALA  42  -3.482  -9.730   8.680
  307   1HB   ALA  42          1HB       ALA  42  -3.098  -7.512   7.712
  308   2HB   ALA  42          2HB       ALA  42  -2.727  -8.796   6.562
  309   3HB   ALA  42          3HB       ALA  42  -1.421  -7.948   7.386
  310    H    ASP  43           H        ASP  43  -0.500 -10.119   9.987
  311    HA   ASP  43           HA       ASP  43   1.009 -11.813   9.973
  312   1HB   ASP  43          1HB       ASP  43  -1.032 -13.243   9.660
  313   2HB   ASP  43          2HB       ASP  43  -0.747 -13.170   7.924
  314    H    MET  44           H        MET  44   0.356  -9.885   7.380
  315    HA   MET  44           HA       MET  44   1.540  -9.203   5.558
  316   1HB   MET  44          1HB       MET  44   3.353  -9.473   7.493
  317   2HB   MET  44          2HB       MET  44   3.962 -10.709   6.400
  318   1HG   MET  44          1HG       MET  44   4.173  -9.085   4.624
  319   2HG   MET  44          2HG       MET  44   3.465  -7.837   5.649
  320   1HE   MET  44          1HE       MET  44   6.201  -7.327   8.379
  321   2HE   MET  44          2HE       MET  44   4.796  -8.387   8.470
  322   3HE   MET  44          3HE       MET  44   4.647  -6.785   7.748
  323    H    SER  45           H        SER  45   0.481 -12.183   5.904
  324    HA   SER  45           HA       SER  45   1.988 -13.500   3.800
  325   1HB   SER  45          1HB       SER  45   1.209 -14.851   5.678
  326   2HB   SER  45          2HB       SER  45  -0.460 -14.391   5.346
  327    HG   SER  45           HG       SER  45   1.231 -16.120   3.931
  328    H    GLN  46           H        GLN  46  -1.451 -12.664   4.299
  329    HA   GLN  46           HA       GLN  46  -1.932 -12.854   1.441
  330   1HB   GLN  46          1HB       GLN  46  -3.629 -12.582   3.876
  331   2HB   GLN  46          2HB       GLN  46  -4.279 -11.974   2.361
  332   1HG   GLN  46          1HG       GLN  46  -3.248 -14.771   2.760
  333   2HG   GLN  46          2HG       GLN  46  -4.943 -14.303   2.890
  334   1HE2  GLN  46          1HE2      GLN  46  -2.242 -14.729   0.738
  335   2HE2  GLN  46          2HE2      GLN  46  -3.149 -14.714  -0.731
  336    H    LEU  47           H        LEU  47  -1.058 -10.523   3.724
  337    HA   LEU  47           HA       LEU  47  -2.214  -8.218   2.524
  338   1HB   LEU  47          1HB       LEU  47  -1.450  -8.342   4.882
  339   2HB   LEU  47          2HB       LEU  47   0.203  -8.458   4.316
  340    HG   LEU  47           HG       LEU  47  -0.210  -6.184   3.196
  341   1HD1  LEU  47          1HD1      LEU  47  -2.505  -6.241   5.149
  342   2HD1  LEU  47          2HD1      LEU  47  -2.625  -6.150   3.392
  343   3HD1  LEU  47          3HD1      LEU  47  -1.921  -4.811   4.298
  344   1HD2  LEU  47          1HD2      LEU  47   1.231  -6.513   5.136
  345   2HD2  LEU  47          2HD2      LEU  47  -0.170  -6.412   6.203
  346   3HD2  LEU  47          3HD2      LEU  47   0.328  -5.003   5.265
  347    H    GLY  48           H        GLY  48   0.826  -9.947   2.147
  348   1HA   GLY  48          1HA       GLY  48   2.044  -7.947   0.511
  349   2HA   GLY  48          2HA       GLY  48   2.599  -9.601   0.724
  350    H    CYS  49           H        CYS  49  -0.653  -9.534  -0.205
  351    HA   CYS  49           HA       CYS  49  -0.048  -9.470  -3.044
  352   1HB   CYS  49          1HB       CYS  49  -1.532 -11.696  -3.068
  353   2HB   CYS  49          2HB       CYS  49   0.226 -11.696  -3.071
  354    H    LEU  50           H        LEU  50  -2.728 -10.549  -0.933
  355    HA   LEU  50           HA       LEU  50  -4.808  -9.816  -2.571
  356   1HB   LEU  50          1HB       LEU  50  -5.210 -11.033  -0.531
  357   2HB   LEU  50          2HB       LEU  50  -4.627  -9.699   0.440
  358    HG   LEU  50           HG       LEU  50  -7.156 -10.111   0.327
  359   1HD1  LEU  50          1HD1      LEU  50  -6.215  -7.335  -0.325
  360   2HD1  LEU  50          2HD1      LEU  50  -6.044  -8.099   1.255
  361   3HD1  LEU  50          3HD1      LEU  50  -7.649  -7.803   0.587
  362   1HD2  LEU  50          1HD2      LEU  50  -6.680  -8.929  -2.393
  363   2HD2  LEU  50          2HD2      LEU  50  -8.225  -8.789  -1.556
  364   3HD2  LEU  50          3HD2      LEU  50  -7.586 -10.379  -1.962
  365    H    LYS  51           H        LYS  51  -2.990  -7.818  -0.296
  366    HA   LYS  51           HA       LYS  51  -4.477  -5.450  -0.991
  367   1HB   LYS  51          1HB       LYS  51  -3.430  -5.875   1.281
  368   2HB   LYS  51          2HB       LYS  51  -1.868  -5.582   0.528
  369   1HG   LYS  51          1HG       LYS  51  -2.473  -3.328  -0.004
  370   2HG   LYS  51          2HG       LYS  51  -4.132  -3.599   0.532
  371   1HD   LYS  51          1HD       LYS  51  -3.249  -4.059   2.814
  372   2HD   LYS  51          2HD       LYS  51  -1.644  -3.604   2.238
  373   1HE   LYS  51          1HE       LYS  51  -2.487  -1.376   1.669
  374   2HE   LYS  51          2HE       LYS  51  -4.090  -1.835   2.242
  375   1HZ   LYS  51          1HZ       LYS  51  -2.857  -0.566   3.900
  376   2HZ   LYS  51          2HZ       LYS  51  -1.637  -1.739   3.914
  377   3HZ   LYS  51          3HZ       LYS  51  -3.190  -2.130   4.454
  378    H    ALA  52           H        ALA  52  -1.735  -7.178  -2.166
  379    HA   ALA  52           HA       ALA  52  -0.375  -4.985  -3.400
  380   1HB   ALA  52          1HB       ALA  52  -0.279  -7.888  -4.214
  381   2HB   ALA  52          2HB       ALA  52   0.667  -7.202  -2.895
  382   3HB   ALA  52          3HB       ALA  52   0.923  -6.641  -4.548
  383    H    CYS  53           H        CYS  53  -3.152  -6.849  -4.131
  384    HA   CYS  53           HA       CYS  53  -3.280  -6.632  -6.915
  385   1HB   CYS  53          1HB       CYS  53  -4.853  -8.082  -5.964
  386   2HB   CYS  53          2HB       CYS  53  -5.343  -6.907  -4.748
  387    H    VAL  54           H        VAL  54  -3.971  -4.375  -4.361
  388    HA   VAL  54           HA       VAL  54  -5.411  -2.461  -5.866
  389    HB   VAL  54           HB       VAL  54  -3.684  -1.980  -3.432
  390   1HG1  VAL  54          1HG1      VAL  54  -4.318   0.068  -4.573
  391   2HG1  VAL  54          2HG1      VAL  54  -5.181  -0.076  -3.043
  392   3HG1  VAL  54          3HG1      VAL  54  -6.011  -0.428  -4.559
  393   1HG2  VAL  54          1HG2      VAL  54  -6.586  -2.781  -3.617
  394   2HG2  VAL  54          2HG2      VAL  54  -5.768  -2.267  -2.142
  395   3HG2  VAL  54          3HG2      VAL  54  -5.265  -3.746  -2.957
  396    H    MET  55           H        MET  55  -2.025  -3.158  -5.461
  397    HA   MET  55           HA       MET  55  -1.051  -0.671  -6.454
  398   1HB   MET  55          1HB       MET  55   0.281  -3.370  -6.191
  399   2HB   MET  55          2HB       MET  55   1.118  -1.894  -6.647
  400   1HG   MET  55          1HG       MET  55   0.338  -0.903  -4.473
  401   2HG   MET  55          2HG       MET  55  -0.208  -2.518  -4.025
  402   1HE   MET  55          1HE       MET  55   1.931  -4.354  -5.323
  403   2HE   MET  55          2HE       MET  55   1.481  -4.605  -3.637
  404   3HE   MET  55          3HE       MET  55   3.182  -4.515  -4.092
  405    H    LYS  56           H        LYS  56  -0.862  -3.922  -7.924
  406    HA   LYS  56           HA       LYS  56  -0.187  -3.040 -10.482
  407   1HB   LYS  56          1HB       LYS  56  -1.502  -5.361 -11.018
  408   2HB   LYS  56          2HB       LYS  56   0.176  -5.245 -10.514
  409   1HG   LYS  56          1HG       LYS  56  -0.230  -6.122  -8.489
  410   2HG   LYS  56          2HG       LYS  56  -1.798  -5.327  -8.340
  411   1HD   LYS  56          1HD       LYS  56  -1.333  -7.593 -10.244
  412   2HD   LYS  56          2HD       LYS  56  -1.784  -7.872  -8.560
  413   1HE   LYS  56          1HE       LYS  56  -3.808  -6.540  -8.885
  414   2HE   LYS  56          2HE       LYS  56  -3.350  -6.245 -10.562
  415   1HZ   LYS  56          1HZ       LYS  56  -3.519  -8.609 -10.994
  416   2HZ   LYS  56          2HZ       LYS  56  -4.980  -8.024 -10.372
  417   3HZ   LYS  56          3HZ       LYS  56  -3.931  -8.908  -9.381
  418    H    ARG  57           H        ARG  57  -3.158  -2.797  -8.864
  419    HA   ARG  57           HA       ARG  57  -4.901  -2.925 -11.118
  420   1HB   ARG  57          1HB       ARG  57  -5.651  -3.272  -8.779
  421   2HB   ARG  57          2HB       ARG  57  -5.340  -1.575  -8.447
  422   1HG   ARG  57          1HG       ARG  57  -7.645  -1.719  -8.795
  423   2HG   ARG  57          2HG       ARG  57  -7.002  -1.069 -10.304
  424   1HD   ARG  57          1HD       ARG  57  -7.577  -3.991  -9.846
  425   2HD   ARG  57          2HD       ARG  57  -8.732  -2.872 -10.569
  426    HE   ARG  57           HE       ARG  57  -6.604  -2.531 -12.145
  427   1HH1  ARG  57          1HH1      ARG  57  -8.139  -5.430 -10.968
  428   2HH1  ARG  57          2HH1      ARG  57  -7.708  -6.375 -12.355
  429   1HH2  ARG  57          1HH2      ARG  57  -6.033  -3.767 -13.972
  430   2HH2  ARG  57          2HH2      ARG  57  -6.511  -5.430 -14.060
  431    H    ILE  58           H        ILE  58  -3.089  -0.361  -9.543
  432    HA   ILE  58           HA       ILE  58  -4.154   1.551 -11.517
  433    HB   ILE  58           HB       ILE  58  -3.430   3.339  -9.958
  434   1HG1  ILE  58          1HG1      ILE  58  -3.015   1.066  -8.001
  435   2HG1  ILE  58          2HG1      ILE  58  -1.713   1.962  -8.774
  436   1HG2  ILE  58          1HG2      ILE  58  -5.272   3.040  -8.381
  437   2HG2  ILE  58          2HG2      ILE  58  -5.361   1.331  -8.805
  438   3HG2  ILE  58          3HG2      ILE  58  -5.742   2.559 -10.011
  439   1HD1  ILE  58          1HD1      ILE  58  -3.776   3.084  -6.894
  440   2HD1  ILE  58          2HD1      ILE  58  -2.509   4.014  -7.696
  441   3HD1  ILE  58          3HD1      ILE  58  -2.081   2.763  -6.529
  442    H    GLU  59           H        GLU  59  -2.013  -0.278 -12.089
  443    HA   GLU  59           HA       GLU  59  -0.002  -0.302 -13.143
  444   1HB   GLU  59          1HB       GLU  59  -0.481   2.676 -13.170
  445   2HB   GLU  59          2HB       GLU  59   0.908   1.921 -13.941
  446   1HG   GLU  59          1HG       GLU  59  -1.978   1.359 -14.594
  447   2HG   GLU  59          2HG       GLU  59  -0.892   2.390 -15.525
  448    H    MET  60           H        MET  60  -0.367   0.420 -10.104
  449    HA   MET  60           HA       MET  60   2.172   1.606  -9.446
  450   1HB   MET  60          1HB       MET  60   0.299   2.028  -7.987
  451   2HB   MET  60          2HB       MET  60   0.014   0.311  -7.771
  452   1HG   MET  60          1HG       MET  60   1.053   1.359  -5.818
  453   2HG   MET  60          2HG       MET  60   2.049   0.083  -6.511
  454   1HE   MET  60          1HE       MET  60   3.166   2.101  -4.426
  455   2HE   MET  60          2HE       MET  60   4.695   2.615  -5.140
  456   3HE   MET  60          3HE       MET  60   4.219   0.918  -5.203
  457    H    LEU  61           H        LEU  61   1.501  -1.249 -10.736
  458    HA   LEU  61           HA       LEU  61   3.930  -2.466  -9.912
  459   1HB   LEU  61          1HB       LEU  61   2.718  -3.108  -7.954
  460   2HB   LEU  61          2HB       LEU  61   1.330  -3.603  -8.900
  461    HG   LEU  61           HG       LEU  61   2.574  -5.505  -9.788
  462   1HD1  LEU  61          1HD1      LEU  61   4.829  -4.506  -8.049
  463   2HD1  LEU  61          2HD1      LEU  61   4.808  -4.558  -9.812
  464   3HD1  LEU  61          3HD1      LEU  61   4.794  -6.058  -8.885
  465   1HD2  LEU  61          1HD2      LEU  61   2.817  -5.361  -6.788
  466   2HD2  LEU  61          2HD2      LEU  61   2.684  -6.815  -7.774
  467   3HD2  LEU  61          3HD2      LEU  61   1.323  -5.701  -7.661
  468    H    LYS  62           H        LYS  62   4.449  -2.741 -12.033
  469    HA   LYS  62           HA       LYS  62   2.561  -3.955 -13.867
  470   1HB   LYS  62          1HB       LYS  62   5.386  -2.948 -14.198
  471   2HB   LYS  62          2HB       LYS  62   4.498  -3.741 -15.492
  472   1HG   LYS  62          1HG       LYS  62   2.871  -1.674 -14.399
  473   2HG   LYS  62          2HG       LYS  62   4.469  -1.021 -14.760
  474   1HD   LYS  62          1HD       LYS  62   3.084  -0.768 -16.706
  475   2HD   LYS  62          2HD       LYS  62   4.297  -2.006 -17.038
  476   1HE   LYS  62          1HE       LYS  62   2.638  -3.746 -16.542
  477   2HE   LYS  62          2HE       LYS  62   1.430  -2.500 -16.234
  478   1HZ   LYS  62          1HZ       LYS  62   1.653  -1.769 -18.527
  479   2HZ   LYS  62          2HZ       LYS  62   1.217  -3.402 -18.460
  480   3HZ   LYS  62          3HZ       LYS  62   2.811  -2.969 -18.822
  481    H    GLY  63           H        GLY  63   2.385  -5.966 -12.672
  482   1HA   GLY  63          1HA       GLY  63   2.784  -8.246 -12.698
  483   2HA   GLY  63          2HA       GLY  63   4.188  -7.950 -13.713
  484    H    THR  64           H        THR  64   5.989  -6.723 -12.468
  485    HA   THR  64           HA       THR  64   6.208  -7.541  -9.688
  486    HB   THR  64           HB       THR  64   8.361  -8.642  -9.990
  487    HG1  THR  64           1HG      THR  64   8.778  -9.163 -12.384
  488   1HG2  THR  64          1HG2      THR  64   6.286  -9.803 -11.857
  489   2HG2  THR  64          2HG2      THR  64   6.352 -10.048 -10.113
  490   3HG2  THR  64          3HG2      THR  64   7.639 -10.677 -11.140
  491    H    GLU  65           H        GLU  65   6.251  -5.088 -11.611
  492    HA   GLU  65           HA       GLU  65   8.782  -3.912 -10.688
  493   1HB   GLU  65          1HB       GLU  65   6.930  -2.957 -12.869
  494   2HB   GLU  65          2HB       GLU  65   8.518  -2.313 -12.487
  495   1HG   GLU  65          1HG       GLU  65   7.966  -5.093 -13.496
  496   2HG   GLU  65          2HG       GLU  65   8.555  -3.744 -14.467
  497    H    LEU  66           H        LEU  66   8.506  -2.807  -8.821
  498    HA   LEU  66           HA       LEU  66   6.055  -1.613  -8.043
  499   1HB   LEU  66          1HB       LEU  66   8.885  -1.340  -7.056
  500   2HB   LEU  66          2HB       LEU  66   7.548  -0.473  -6.327
  501    HG   LEU  66           HG       LEU  66   8.092  -2.449  -5.049
  502   1HD1  LEU  66          1HD1      LEU  66   5.475  -2.758  -6.499
  503   2HD1  LEU  66          2HD1      LEU  66   5.766  -1.724  -5.101
  504   3HD1  LEU  66          3HD1      LEU  66   5.886  -3.476  -4.941
  505   1HD2  LEU  66          1HD2      LEU  66   7.410  -4.056  -7.492
  506   2HD2  LEU  66          2HD2      LEU  66   7.842  -4.685  -5.902
  507   3HD2  LEU  66          3HD2      LEU  66   9.035  -3.803  -6.854
  508    H    TYR  67           H        TYR  67   5.294   0.431  -8.325
  509    HA   TYR  67           HA       TYR  67   6.934   2.227  -9.976
  510   1HB   TYR  67          1HB       TYR  67   4.063   1.582  -9.903
  511   2HB   TYR  67          2HB       TYR  67   4.426   3.295 -10.078
  512    HD1  TYR  67           1HD      TYR  67   5.843   0.117 -11.455
  513    HD2  TYR  67           2HD      TYR  67   4.344   4.015 -12.265
  514    HE1  TYR  67           1HE      TYR  67   6.252  -0.231 -13.853
  515    HE2  TYR  67           2HE      TYR  67   4.748   3.677 -14.667
  516    HH   TYR  67           HH       TYR  67   5.420   0.648 -16.009
  517    H    VAL  68           H        VAL  68   6.228   4.624  -9.659
  518    HA   VAL  68           HA       VAL  68   5.842   5.251  -6.827
  519    HB   VAL  68           HB       VAL  68   7.683   6.898  -6.889
  520   1HG1  VAL  68          1HG1      VAL  68   8.044   4.703  -5.897
  521   2HG1  VAL  68          2HG1      VAL  68   9.514   5.297  -6.670
  522   3HG1  VAL  68          3HG1      VAL  68   8.535   4.066  -7.467
  523   1HG2  VAL  68          1HG2      VAL  68   7.817   7.264  -9.281
  524   2HG2  VAL  68          2HG2      VAL  68   8.349   5.600  -9.527
  525   3HG2  VAL  68          3HG2      VAL  68   9.381   6.736  -8.662
  526    H    GLU  69           H        GLU  69   5.664   6.132 -10.170
  527    HA   GLU  69           HA       GLU  69   5.038   8.835  -9.999
  528   1HB   GLU  69          1HB       GLU  69   4.036   6.779 -11.975
  529   2HB   GLU  69          2HB       GLU  69   3.868   8.518 -12.172
  530   1HG   GLU  69          1HG       GLU  69   6.466   7.007 -11.987
  531   2HG   GLU  69          2HG       GLU  69   5.738   7.642 -13.462
  532    HA   PRO  70           HA       PRO  70   0.340   7.600  -9.650
  533   1HB   PRO  70          1HB       PRO  70  -0.124   5.147  -8.507
  534   2HB   PRO  70          2HB       PRO  70  -0.140   5.448 -10.248
  535   1HG   PRO  70          1HG       PRO  70   2.029   4.299  -8.541
  536   2HG   PRO  70          2HG       PRO  70   1.499   3.813 -10.162
  537   1HD   PRO  70          1HD       PRO  70   3.714   5.292  -9.765
  538   2HD   PRO  70          2HD       PRO  70   2.685   5.504 -11.195
  539    H    VAL  71           H        VAL  71   2.897   6.953  -7.473
  540    HA   VAL  71           HA       VAL  71   1.270   7.159  -5.081
  541    HB   VAL  71           HB       VAL  71   4.267   7.291  -5.107
  542   1HG1  VAL  71          1HG1      VAL  71   4.078   6.288  -2.938
  543   2HG1  VAL  71          2HG1      VAL  71   2.346   6.032  -3.158
  544   3HG1  VAL  71          3HG1      VAL  71   2.984   7.669  -3.011
  545   1HG2  VAL  71          1HG2      VAL  71   4.314   4.831  -4.996
  546   2HG2  VAL  71          2HG2      VAL  71   3.711   5.421  -6.544
  547   3HG2  VAL  71          3HG2      VAL  71   2.584   4.798  -5.338
  548    H    TYR  72           H        TYR  72   3.838   9.076  -6.635
  549    HA   TYR  72           HA       TYR  72   3.846  11.204  -4.839
  550   1HB   TYR  72          1HB       TYR  72   4.338  11.350  -7.822
  551   2HB   TYR  72          2HB       TYR  72   4.882  12.513  -6.621
  552    HD1  TYR  72           1HD      TYR  72   6.474  10.799  -8.710
  553    HD2  TYR  72           2HD      TYR  72   5.748  10.409  -4.535
  554    HE1  TYR  72           1HE      TYR  72   8.579   9.551  -8.465
  555    HE2  TYR  72           2HE      TYR  72   7.852   9.160  -4.280
  556    HH   TYR  72           HH       TYR  72  10.216   9.025  -6.705
  557    H    LYS  73           H        LYS  73   1.530  10.312  -7.218
  558    HA   LYS  73           HA       LYS  73   0.318  12.933  -7.381
  559   1HB   LYS  73          1HB       LYS  73  -0.379  10.259  -8.569
  560   2HB   LYS  73          2HB       LYS  73  -1.412  11.669  -8.752
  561   1HG   LYS  73          1HG       LYS  73   1.478  11.597  -9.585
  562   2HG   LYS  73          2HG       LYS  73   0.129  11.240 -10.666
  563   1HD   LYS  73          1HD       LYS  73  -0.580  13.417 -10.723
  564   2HD   LYS  73          2HD       LYS  73   0.053  13.779  -9.117
  565   1HE   LYS  73          1HE       LYS  73   2.297  13.867  -9.958
  566   2HE   LYS  73          2HE       LYS  73   1.773  13.311 -11.547
  567   1HZ   LYS  73          1HZ       LYS  73   2.143  15.710 -11.488
  568   2HZ   LYS  73          2HZ       LYS  73   0.968  15.874 -10.281
  569   3HZ   LYS  73          3HZ       LYS  73   0.525  15.347 -11.825
  570    H    MET  74           H        MET  74  -0.523   9.783  -5.924
  571    HA   MET  74           HA       MET  74  -3.051  10.705  -4.983
  572   1HB   MET  74          1HB       MET  74  -3.175   8.619  -3.754
  573   2HB   MET  74          2HB       MET  74  -2.599   8.314  -5.386
  574   1HG   MET  74          1HG       MET  74  -0.342   8.109  -4.586
  575   2HG   MET  74          2HG       MET  74  -0.846   8.517  -2.951
  576   1HE   MET  74          1HE       MET  74  -2.503   6.171  -5.672
  577   2HE   MET  74          2HE       MET  74  -1.890   4.601  -5.152
  578   3HE   MET  74          3HE       MET  74  -0.775   5.824  -5.765
  579    H    ILE  75           H        ILE  75   0.162  10.342  -3.545
  580    HA   ILE  75           HA       ILE  75  -0.357  10.822  -0.894
  581    HB   ILE  75           HB       ILE  75   1.959  11.769  -2.583
  582   1HG1  ILE  75          1HG1      ILE  75   1.766   9.513  -0.575
  583   2HG1  ILE  75          2HG1      ILE  75   1.607   9.308  -2.317
  584   1HG2  ILE  75          1HG2      ILE  75   3.181  12.156  -0.507
  585   2HG2  ILE  75          2HG2      ILE  75   1.729  11.791   0.421
  586   3HG2  ILE  75          3HG2      ILE  75   1.773  13.209  -0.626
  587   1HD1  ILE  75          1HD1      ILE  75   3.835   8.718  -1.524
  588   2HD1  ILE  75          2HD1      ILE  75   4.045  10.354  -0.895
  589   3HD1  ILE  75          3HD1      ILE  75   3.883  10.090  -2.632
  590    H    GLU  76           H        GLU  76  -0.492  13.024  -3.568
  591    HA   GLU  76           HA       GLU  76  -0.316  15.479  -2.254
  592   1HB   GLU  76          1HB       GLU  76  -1.994  14.751  -4.663
  593   2HB   GLU  76          2HB       GLU  76  -1.613  16.390  -4.157
  594   1HG   GLU  76          1HG       GLU  76   0.780  15.909  -4.490
  595   2HG   GLU  76          2HG       GLU  76   0.353  14.302  -5.074
  596    H    VAL  77           H        VAL  77  -3.292  13.684  -3.101
  597    HA   VAL  77           HA       VAL  77  -4.861  15.387  -1.340
  598    HB   VAL  77           HB       VAL  77  -5.775  13.001  -2.953
  599   1HG1  VAL  77          1HG1      VAL  77  -7.315  13.627  -1.180
  600   2HG1  VAL  77          2HG1      VAL  77  -7.992  14.033  -2.756
  601   3HG1  VAL  77          3HG1      VAL  77  -7.306  15.298  -1.738
  602   1HG2  VAL  77          1HG2      VAL  77  -4.763  14.660  -4.419
  603   2HG2  VAL  77          2HG2      VAL  77  -5.769  15.922  -3.708
  604   3HG2  VAL  77          3HG2      VAL  77  -6.513  14.622  -4.637
  605    H    VAL  78           H        VAL  78  -3.375  12.293  -1.340
  606    HA   VAL  78           HA       VAL  78  -4.927  11.048   0.680
  607    HB   VAL  78           HB       VAL  78  -2.204  10.459  -0.493
  608   1HG1  VAL  78          1HG1      VAL  78  -3.664   8.865   1.621
  609   2HG1  VAL  78          2HG1      VAL  78  -2.123   9.697   1.819
  610   3HG1  VAL  78          3HG1      VAL  78  -2.246   8.318   0.727
  611   1HG2  VAL  78          1HG2      VAL  78  -4.150  10.036  -1.899
  612   2HG2  VAL  78          2HG2      VAL  78  -4.849   9.019  -0.640
  613   3HG2  VAL  78          3HG2      VAL  78  -3.355   8.531  -1.439
  614    H    HIS  79           H        HIS  79  -2.818  13.614   0.813
  615    HA   HIS  79           HA       HIS  79  -2.606  13.389   3.707
  616   1HB   HIS  79          1HB       HIS  79  -0.216  13.859   1.913
  617   2HB   HIS  79          2HB       HIS  79  -0.213  14.100   3.656
  618    HD1  HIS  79           1HD      HIS  79  -0.368  11.950   5.145
  619    HD2  HIS  79           2HD      HIS  79   0.016  11.228   1.072
  620    HE1  HIS  79           1HE      HIS  79   0.252   9.521   4.948
  621    HE2  HIS  79           2HE      HIS  79   0.356   9.080   2.471
  622    H    ALA  80           H        ALA  80  -4.351  14.973   2.340
  623    HA   ALA  80           HA       ALA  80  -3.428  17.561   1.721
  624   1HB   ALA  80          1HB       ALA  80  -6.169  16.733   2.672
  625   2HB   ALA  80          2HB       ALA  80  -5.608  16.694   1.001
  626   3HB   ALA  80          3HB       ALA  80  -5.761  18.235   1.842
  627    H    GLY  81           H        GLY  81  -2.605  19.055   3.020
  628   1HA   GLY  81          1HA       GLY  81  -3.555  20.298   5.155
  629   2HA   GLY  81          2HA       GLY  81  -2.981  18.819   5.904
  630    H    ASN  82           H        ASN  82  -0.668  18.267   5.497
  631    HA   ASN  82           HA       ASN  82   0.938  20.712   5.675
  632   1HB   ASN  82          1HB       ASN  82   1.534  17.867   6.507
  633   2HB   ASN  82          2HB       ASN  82   2.679  19.198   6.640
  634   1HD2  ASN  82          1HD2      ASN  82   2.347  20.794   8.173
  635   2HD2  ASN  82          2HD2      ASN  82   1.238  20.598   9.482
  636    H    ALA  83           H        ALA  83   2.192  21.311   4.052
  637    HA   ALA  83           HA       ALA  83   2.353  19.913   1.621
  638   1HB   ALA  83          1HB       ALA  83   4.148  22.114   2.642
  639   2HB   ALA  83          2HB       ALA  83   2.619  22.339   1.792
  640   3HB   ALA  83          3HB       ALA  83   3.988  21.600   0.963
  641    H    ASP  84           H        ASP  84   4.276  19.751   4.502
  642    HA   ASP  84           HA       ASP  84   6.477  18.404   3.190
  643   1HB   ASP  84          1HB       ASP  84   5.988  18.698   6.156
  644   2HB   ASP  84          2HB       ASP  84   7.500  18.263   5.358
  645    H    ASP  85           H        ASP  85   3.529  17.567   4.818
  646    HA   ASP  85           HA       ASP  85   4.096  14.949   5.608
  647   1HB   ASP  85          1HB       ASP  85   1.952  16.267   6.030
  648   2HB   ASP  85          2HB       ASP  85   1.471  15.838   4.392
  649    H    ILE  86           H        ILE  86   3.292  16.358   2.519
  650    HA   ILE  86           HA       ILE  86   3.115  13.907   1.073
  651    HB   ILE  86           HB       ILE  86   3.484  16.773   0.180
  652   1HG1  ILE  86          1HG1      ILE  86   1.065  14.978  -0.060
  653   2HG1  ILE  86          2HG1      ILE  86   1.319  16.083   1.287
  654   1HG2  ILE  86          1HG2      ILE  86   4.441  15.288  -1.495
  655   2HG2  ILE  86          2HG2      ILE  86   2.945  16.011  -2.084
  656   3HG2  ILE  86          3HG2      ILE  86   2.956  14.340  -1.523
  657   1HD1  ILE  86          1HD1      ILE  86   1.079  16.864  -1.610
  658   2HD1  ILE  86          2HD1      ILE  86   1.312  17.968  -0.254
  659   3HD1  ILE  86          3HD1      ILE  86  -0.174  17.029  -0.379
  660    H    GLN  87           H        GLN  87   5.644  16.086   2.017
  661    HA   GLN  87           HA       GLN  87   7.589  15.070   0.158
  662   1HB   GLN  87          1HB       GLN  87   8.343  17.136   0.564
  663   2HB   GLN  87          2HB       GLN  87   7.349  17.287   2.003
  664   1HG   GLN  87          1HG       GLN  87   9.561  17.593   2.705
  665   2HG   GLN  87          2HG       GLN  87   9.119  15.966   3.216
  666   1HE2  GLN  87          1HE2      GLN  87  11.241  15.276   3.313
  667   2HE2  GLN  87          2HE2      GLN  87  12.197  15.001   1.901
  668    H    LEU  88           H        LEU  88   6.501  14.293   3.329
  669    HA   LEU  88           HA       LEU  88   8.903  12.958   4.161
  670   1HB   LEU  88          1HB       LEU  88   7.282  14.020   5.727
  671   2HB   LEU  88          2HB       LEU  88   6.122  12.772   5.317
  672    HG   LEU  88           HG       LEU  88   8.790  11.938   6.367
  673   1HD1  LEU  88          1HD1      LEU  88   8.106  13.722   7.879
  674   2HD1  LEU  88          2HD1      LEU  88   7.974  12.148   8.662
  675   3HD1  LEU  88          3HD1      LEU  88   6.525  12.964   8.074
  676   1HD2  LEU  88          1HD2      LEU  88   5.977  10.887   6.668
  677   2HD2  LEU  88          2HD2      LEU  88   7.421  10.152   7.362
  678   3HD2  LEU  88          3HD2      LEU  88   7.230  10.237   5.611
  679    H    VAL  89           H        VAL  89   5.602  11.760   3.539
  680    HA   VAL  89           HA       VAL  89   6.246   9.045   3.497
  681    HB   VAL  89           HB       VAL  89   4.118   8.737   2.252
  682   1HG1  VAL  89          1HG1      VAL  89   3.936  10.681   4.551
  683   2HG1  VAL  89          2HG1      VAL  89   4.168   8.939   4.704
  684   3HG1  VAL  89          3HG1      VAL  89   2.674   9.572   4.012
  685   1HG2  VAL  89          1HG2      VAL  89   2.731  10.707   1.791
  686   2HG2  VAL  89          2HG2      VAL  89   4.220  10.711   0.844
  687   3HG2  VAL  89          3HG2      VAL  89   4.072  11.749   2.261
  688    H    LYS  90           H        LYS  90   6.567  11.481   1.034
  689    HA   LYS  90           HA       LYS  90   6.636   9.910  -1.265
  690   1HB   LYS  90          1HB       LYS  90   7.129  12.584  -0.617
  691   2HB   LYS  90          2HB       LYS  90   8.620  12.020  -1.353
  692   1HG   LYS  90          1HG       LYS  90   7.721  11.947  -3.394
  693   2HG   LYS  90          2HG       LYS  90   6.237  11.199  -2.809
  694   1HD   LYS  90          1HD       LYS  90   5.284  13.275  -2.240
  695   2HD   LYS  90          2HD       LYS  90   6.833  14.105  -2.387
  696   1HE   LYS  90          1HE       LYS  90   6.807  13.559  -4.825
  697   2HE   LYS  90          2HE       LYS  90   5.174  12.926  -4.610
  698   1HZ   LYS  90          1HZ       LYS  90   4.482  15.120  -3.834
  699   2HZ   LYS  90          2HZ       LYS  90   5.103  15.186  -5.406
  700   3HZ   LYS  90          3HZ       LYS  90   6.042  15.721  -4.104
  701    H    GLY  91           H        GLY  91   9.108  10.535   1.155
  702   1HA   GLY  91          1HA       GLY  91  11.155   9.133  -0.340
  703   2HA   GLY  91          2HA       GLY  91  11.314   9.801   1.279
  704    H    ILE  92           H        ILE  92   8.696   8.319   1.916
  705    HA   ILE  92           HA       ILE  92   9.952   5.992   3.005
  706    HB   ILE  92           HB       ILE  92   6.989   6.552   2.878
  707   1HG1  ILE  92          1HG1      ILE  92   8.023   8.482   3.899
  708   2HG1  ILE  92          2HG1      ILE  92   7.284   7.511   5.167
  709   1HG2  ILE  92          1HG2      ILE  92   6.885   5.127   4.854
  710   2HG2  ILE  92          2HG2      ILE  92   8.630   4.883   4.776
  711   3HG2  ILE  92          3HG2      ILE  92   7.596   4.269   3.487
  712   1HD1  ILE  92          1HD1      ILE  92  10.210   7.630   4.481
  713   2HD1  ILE  92          2HD1      ILE  92   9.496   6.568   5.695
  714   3HD1  ILE  92          3HD1      ILE  92   9.424   8.318   5.901
  715    H    ALA  93           H        ALA  93   7.843   6.657   0.271
  716    HA   ALA  93           HA       ALA  93   7.157   3.996  -0.354
  717   1HB   ALA  93          1HB       ALA  93   7.412   6.349  -2.224
  718   2HB   ALA  93          2HB       ALA  93   5.982   5.939  -1.280
  719   3HB   ALA  93          3HB       ALA  93   6.542   4.851  -2.548
  720    H    ASN  94           H        ASN  94  10.035   5.844  -0.864
  721    HA   ASN  94           HA       ASN  94  11.107   4.088  -2.892
  722   1HB   ASN  94          1HB       ASN  94  11.609   6.587  -2.659
  723   2HB   ASN  94          2HB       ASN  94  12.637   6.147  -1.300
  724   1HD2  ASN  94          1HD2      ASN  94  13.338   7.377  -3.839
  725   2HD2  ASN  94          2HD2      ASN  94  14.509   6.339  -4.571
  726    H    GLU  95           H        GLU  95  11.181   4.390   0.564
  727    HA   GLU  95           HA       GLU  95  13.519   2.846   1.038
  728   1HB   GLU  95          1HB       GLU  95  12.302   4.449   2.640
  729   2HB   GLU  95          2HB       GLU  95  11.217   3.101   2.965
  730   1HG   GLU  95          1HG       GLU  95  12.953   3.236   4.643
  731   2HG   GLU  95          2HG       GLU  95  13.109   1.752   3.706
  732    H    CYS  96           H        CYS  96  10.313   2.030   0.155
  733    HA   CYS  96           HA       CYS  96  10.439  -0.673   1.209
  734   1HB   CYS  96          1HB       CYS  96   8.384   0.498  -0.674
  735   2HB   CYS  96          2HB       CYS  96   8.219  -0.938   0.329
  736    H    ILE  97           H        ILE  97  10.577   0.932  -1.956
  737    HA   ILE  97           HA       ILE  97  10.664  -1.375  -3.545
  738    HB   ILE  97           HB       ILE  97  11.973   1.291  -4.100
  739   1HG1  ILE  97          1HG1      ILE  97   9.242   0.253  -4.897
  740   2HG1  ILE  97          2HG1      ILE  97   9.539   1.425  -3.617
  741   1HG2  ILE  97          1HG2      ILE  97  11.811   0.632  -6.459
  742   2HG2  ILE  97          2HG2      ILE  97  11.184  -0.942  -5.970
  743   3HG2  ILE  97          3HG2      ILE  97  12.829  -0.477  -5.540
  744   1HD1  ILE  97          1HD1      ILE  97   8.791   2.513  -5.646
  745   2HD1  ILE  97          2HD1      ILE  97  10.138   1.807  -6.540
  746   3HD1  ILE  97          3HD1      ILE  97  10.446   2.984  -5.261
  747    H    GLU  98           H        GLU  98  13.219   0.371  -1.850
  748    HA   GLU  98           HA       GLU  98  15.435  -0.866  -3.026
  749   1HB   GLU  98          1HB       GLU  98  15.067   0.220  -0.231
  750   2HB   GLU  98          2HB       GLU  98  16.616  -0.283  -0.892
  751   1HG   GLU  98          1HG       GLU  98  16.455   1.416  -2.620
  752   2HG   GLU  98          2HG       GLU  98  14.871   1.900  -2.014
  753    H    ASN  99           H        ASN  99  13.339  -1.895  -0.398
  754    HA   ASN  99           HA       ASN  99  14.910  -4.343  -0.066
  755   1HB   ASN  99          1HB       ASN  99  14.121  -4.457   2.065
  756   2HB   ASN  99          2HB       ASN  99  13.861  -2.735   1.823
  757   1HD2  ASN  99          1HD2      ASN  99  11.741  -2.037   1.205
  758   2HD2  ASN  99          2HD2      ASN  99  10.359  -2.948   1.703
  759    H    ALA 100           H        ALA 100  12.382  -3.224  -1.861
  760    HA   ALA 100           HA       ALA 100  11.361  -5.939  -2.291
  761   1HB   ALA 100          1HB       ALA 100   9.585  -3.511  -2.060
  762   2HB   ALA 100          2HB       ALA 100   9.786  -4.740  -0.810
  763   3HB   ALA 100          3HB       ALA 100   9.073  -5.171  -2.366
  764    H    LYS 101           H        LYS 101  13.232  -4.905  -3.893
  765    HA   LYS 101           HA       LYS 101  12.670  -3.256  -5.966
  766   1HB   LYS 101          1HB       LYS 101  13.991  -5.190  -7.342
  767   2HB   LYS 101          2HB       LYS 101  14.759  -3.962  -6.350
  768   1HG   LYS 101          1HG       LYS 101  15.665  -6.155  -5.879
  769   2HG   LYS 101          2HG       LYS 101  14.819  -5.514  -4.477
  770   1HD   LYS 101          1HD       LYS 101  12.803  -6.838  -5.310
  771   2HD   LYS 101          2HD       LYS 101  13.954  -7.682  -6.350
  772   1HE   LYS 101          1HE       LYS 101  14.267  -7.419  -3.368
  773   2HE   LYS 101          2HE       LYS 101  13.492  -8.788  -4.150
  774   1HZ   LYS 101          1HZ       LYS 101  15.554  -9.235  -5.333
  775   2HZ   LYS 101          2HZ       LYS 101  15.807  -9.253  -3.661
  776   3HZ   LYS 101          3HZ       LYS 101  16.295  -7.917  -4.575
  777    H    GLY 102           H        GLY 102  11.314  -6.417  -5.448
  778   1HA   GLY 102          1HA       GLY 102   9.045  -6.517  -6.598
  779   2HA   GLY 102          2HA       GLY 102   9.970  -6.256  -8.068
  780    H    GLU 103           H        GLU 103   9.121  -8.522  -5.567
  781    HA   GLU 103           HA       GLU 103  10.800 -10.650  -6.392
  782   1HB   GLU 103          1HB       GLU 103   8.175 -10.696  -4.892
  783   2HB   GLU 103          2HB       GLU 103   9.252 -12.075  -5.069
  784   1HG   GLU 103          1HG       GLU 103  10.072  -9.482  -3.792
  785   2HG   GLU 103          2HG       GLU 103   9.416 -10.849  -2.895
  786    H    THR 104           H        THR 104   9.503 -12.848  -6.956
  787    HA   THR 104           HA       THR 104   8.311 -12.288  -9.563
  788    HB   THR 104           HB       THR 104  10.129 -13.890  -9.561
  789    HG1  THR 104           1HG      THR 104   8.850 -14.597 -11.118
  790   1HG2  THR 104          1HG2      THR 104   8.415 -15.550  -7.706
  791   2HG2  THR 104          2HG2      THR 104   9.899 -14.707  -7.259
  792   3HG2  THR 104          3HG2      THR 104   9.955 -16.041  -8.412
  793    H    ASP 105           H        ASP 105   7.456 -13.569  -6.440
  794    HA   ASP 105           HA       ASP 105   4.843 -14.420  -7.467
  795   1HB   ASP 105          1HB       ASP 105   6.067 -16.071  -6.112
  796   2HB   ASP 105          2HB       ASP 105   6.112 -14.934  -4.768
  797    H    GLU 106           H        GLU 106   2.947 -13.517  -6.776
  798    HA   GLU 106           HA       GLU 106   2.816 -10.861  -6.125
  799   1HB   GLU 106          1HB       GLU 106   0.839 -13.074  -5.606
  800   2HB   GLU 106          2HB       GLU 106   0.469 -11.385  -5.289
  801   1HG   GLU 106          1HG       GLU 106   0.801 -10.838  -7.616
  802   2HG   GLU 106          2HG       GLU 106   1.279 -12.501  -7.963
  803    H    CYS 107           H        CYS 107   1.913 -13.382  -3.768
  804    HA   CYS 107           HA       CYS 107   1.899 -11.756  -1.531
  805   1HB   CYS 107          1HB       CYS 107   2.524 -14.705  -1.723
  806   2HB   CYS 107          2HB       CYS 107   2.182 -13.857  -0.219
  807    H    ASN 108           H        ASN 108   4.608 -12.825  -3.312
  808    HA   ASN 108           HA       ASN 108   6.459 -12.573  -1.089
  809   1HB   ASN 108          1HB       ASN 108   6.670 -14.218  -3.073
  810   2HB   ASN 108          2HB       ASN 108   7.256 -12.826  -3.979
  811   1HD2  ASN 108          1HD2      ASN 108   8.687 -15.223  -3.328
  812   2HD2  ASN 108          2HD2      ASN 108  10.053 -14.755  -2.380
  813    H    ILE 109           H        ILE 109   5.428 -10.732  -3.899
  814    HA   ILE 109           HA       ILE 109   7.461  -8.751  -3.761
  815    HB   ILE 109           HB       ILE 109   4.709  -8.589  -4.995
  816   1HG1  ILE 109          1HG1      ILE 109   7.368  -9.073  -6.342
  817   2HG1  ILE 109          2HG1      ILE 109   6.265 -10.362  -5.882
  818   1HG2  ILE 109          1HG2      ILE 109   5.568  -6.372  -4.590
  819   2HG2  ILE 109          2HG2      ILE 109   5.665  -6.726  -6.314
  820   3HG2  ILE 109          3HG2      ILE 109   7.116  -6.802  -5.315
  821   1HD1  ILE 109          1HD1      ILE 109   6.031  -9.831  -8.223
  822   2HD1  ILE 109          2HD1      ILE 109   5.694  -8.145  -7.831
  823   3HD1  ILE 109          3HD1      ILE 109   4.558  -9.408  -7.354
  824    H    GLY 110           H        GLY 110   4.017  -8.671  -2.816
  825   1HA   GLY 110          1HA       GLY 110   4.092  -6.122  -1.642
  826   2HA   GLY 110          2HA       GLY 110   2.897  -7.364  -1.302
  827    H    ASN 111           H        ASN 111   4.542  -9.335  -0.191
  828    HA   ASN 111           HA       ASN 111   4.608  -8.642   2.474
  829   1HB   ASN 111          1HB       ASN 111   4.703 -10.953   1.801
  830   2HB   ASN 111          2HB       ASN 111   6.255 -10.707   1.005
  831   1HD2  ASN 111          1HD2      ASN 111   4.633 -10.659   4.123
  832   2HD2  ASN 111          2HD2      ASN 111   6.020 -11.068   5.059
  833    H    LYS 112           H        LYS 112   7.011  -8.099   0.014
  834    HA   LYS 112           HA       LYS 112   9.026  -7.258   1.926
  835   1HB   LYS 112          1HB       LYS 112   8.962  -7.358  -1.090
  836   2HB   LYS 112          2HB       LYS 112  10.322  -6.714  -0.180
  837   1HG   LYS 112          1HG       LYS 112   9.284  -9.496   0.240
  838   2HG   LYS 112          2HG       LYS 112  10.509  -9.104  -0.969
  839   1HD   LYS 112          1HD       LYS 112  11.949  -8.191   0.776
  840   2HD   LYS 112          2HD       LYS 112  10.722  -8.557   1.991
  841   1HE   LYS 112          1HE       LYS 112  12.467 -10.256   1.982
  842   2HE   LYS 112          2HE       LYS 112  10.923 -10.940   1.476
  843   1HZ   LYS 112          1HZ       LYS 112  13.123 -10.117  -0.341
  844   2HZ   LYS 112          2HZ       LYS 112  11.644 -10.781  -0.822
  845   3HZ   LYS 112          3HZ       LYS 112  12.734 -11.708   0.078
  846    H    TYR 113           H        TYR 113   6.570  -5.864  -0.074
  847    HA   TYR 113           HA       TYR 113   7.666  -3.187   0.067
  848   1HB   TYR 113          1HB       TYR 113   6.328  -4.208  -1.891
  849   2HB   TYR 113          2HB       TYR 113   4.906  -3.881  -0.902
  850    HD1  TYR 113           1HD      TYR 113   4.079  -1.652  -0.631
  851    HD2  TYR 113           2HD      TYR 113   7.723  -2.343  -2.714
  852    HE1  TYR 113           1HE      TYR 113   4.045   0.667  -1.448
  853    HE2  TYR 113           2HE      TYR 113   7.700  -0.026  -3.535
  854    HH   TYR 113           HH       TYR 113   6.065   1.772  -3.934
  855    H    THR 114           H        THR 114   4.499  -4.561   1.007
  856    HA   THR 114           HA       THR 114   3.581  -2.477   2.532
  857    HB   THR 114           HB       THR 114   2.251  -4.501   1.956
  858    HG1  THR 114           1HG      THR 114   1.000  -3.714   3.459
  859   1HG2  THR 114          1HG2      THR 114   3.624  -5.756   4.335
  860   2HG2  THR 114          2HG2      THR 114   3.950  -6.177   2.655
  861   3HG2  THR 114          3HG2      THR 114   2.356  -6.475   3.343
  862    H    ASP 115           H        ASP 115   5.651  -5.152   3.590
  863    HA   ASP 115           HA       ASP 115   5.825  -4.778   6.276
  864   1HB   ASP 115          1HB       ASP 115   7.054  -6.514   5.035
  865   2HB   ASP 115          2HB       ASP 115   8.155  -5.285   4.413
  866    H    CYS 116           H        CYS 116   7.396  -2.831   3.792
  867    HA   CYS 116           HA       CYS 116   8.876  -1.263   5.690
  868   1HB   CYS 116          1HB       CYS 116  10.073  -1.278   3.766
  869   2HB   CYS 116          2HB       CYS 116   8.642  -1.425   2.749
  870    H    TYR 117           H        TYR 117   6.104  -0.615   3.536
  871    HA   TYR 117           HA       TYR 117   5.730   2.057   4.220
  872   1HB   TYR 117          1HB       TYR 117   4.329   0.087   2.720
  873   2HB   TYR 117          2HB       TYR 117   3.171   0.876   3.787
  874    HD1  TYR 117           1HD      TYR 117   2.966   3.392   3.702
  875    HD2  TYR 117           2HD      TYR 117   5.148   1.178   0.798
  876    HE1  TYR 117           1HE      TYR 117   2.847   5.305   2.163
  877    HE2  TYR 117           2HE      TYR 117   5.034   3.086  -0.750
  878    HH   TYR 117           HH       TYR 117   3.628   5.071  -1.126
  879    H    ILE 118           H        ILE 118   4.564  -0.859   5.823
  880    HA   ILE 118           HA       ILE 118   2.955   0.579   7.723
  881    HB   ILE 118           HB       ILE 118   3.906  -2.287   7.829
  882   1HG1  ILE 118          1HG1      ILE 118   1.295  -1.150   6.800
  883   2HG1  ILE 118          2HG1      ILE 118   2.603  -1.753   5.786
  884   1HG2  ILE 118          1HG2      ILE 118   1.665  -0.886   9.281
  885   2HG2  ILE 118          2HG2      ILE 118   3.173  -1.458   9.994
  886   3HG2  ILE 118          3HG2      ILE 118   2.007  -2.615   9.350
  887   1HD1  ILE 118          1HD1      ILE 118   0.987  -3.363   7.745
  888   2HD1  ILE 118          2HD1      ILE 118   2.321  -3.976   6.770
  889   3HD1  ILE 118          3HD1      ILE 118   0.850  -3.399   5.987
  890    H    GLU 119           H        GLU 119   6.256  -0.318   7.451
  891    HA   GLU 119           HA       GLU 119   6.868  -0.365  10.233
  892   1HB   GLU 119          1HB       GLU 119   8.277  -1.496   8.575
  893   2HB   GLU 119          2HB       GLU 119   8.683   0.055   7.852
  894   1HG   GLU 119          1HG       GLU 119   9.819   0.739   9.870
  895   2HG   GLU 119          2HG       GLU 119   9.340  -0.754  10.675
  896    H    LYS 120           H        LYS 120   7.576   2.055   7.692
  897    HA   LYS 120           HA       LYS 120   8.296   3.988   9.726
  898   1HB   LYS 120          1HB       LYS 120   8.179   4.381   6.741
  899   2HB   LYS 120          2HB       LYS 120   9.025   5.381   7.914
  900   1HG   LYS 120          1HG       LYS 120  10.841   4.156   7.613
  901   2HG   LYS 120          2HG       LYS 120   9.980   2.749   8.244
  902   1HD   LYS 120          1HD       LYS 120   9.028   2.509   5.880
  903   2HD   LYS 120          2HD       LYS 120  10.299   3.633   5.392
  904   1HE   LYS 120          1HE       LYS 120  10.603   0.907   6.632
  905   2HE   LYS 120          2HE       LYS 120  11.145   1.443   5.040
  906   1HZ   LYS 120          1HZ       LYS 120  12.708   2.947   6.148
  907   2HZ   LYS 120          2HZ       LYS 120  12.995   1.332   6.560
  908   3HZ   LYS 120          3HZ       LYS 120  12.217   2.357   7.656
  909    H    LEU 121           H        LEU 121   5.771   3.656   7.235
  910    HA   LEU 121           HA       LEU 121   4.495   6.076   8.280
  911   1HB   LEU 121          1HB       LEU 121   4.894   5.921   5.855
  912   2HB   LEU 121          2HB       LEU 121   3.869   4.500   5.790
  913    HG   LEU 121           HG       LEU 121   1.941   5.843   6.479
  914   1HD1  LEU 121          1HD1      LEU 121   3.874   8.154   6.378
  915   2HD1  LEU 121          2HD1      LEU 121   3.057   7.527   7.811
  916   3HD1  LEU 121          3HD1      LEU 121   2.123   8.296   6.528
  917   1HD2  LEU 121          1HD2      LEU 121   3.450   6.935   4.109
  918   2HD2  LEU 121          2HD2      LEU 121   1.731   7.175   4.418
  919   3HD2  LEU 121          3HD2      LEU 121   2.353   5.553   4.117
  920    H    PHE 122           H        PHE 122   4.218   2.723   8.627
  921    HA   PHE 122           HA       PHE 122   2.704   1.446   9.752
  922   1HB   PHE 122          1HB       PHE 122   2.081   2.736  11.490
  923   2HB   PHE 122          2HB       PHE 122   1.904   4.170  10.491
  924    HD1  PHE 122           1HD      PHE 122   0.201   1.004  11.419
  925    HD2  PHE 122           2HD      PHE 122  -0.207   4.989   9.983
  926    HE1  PHE 122           1HE      PHE 122  -2.239   0.813  11.596
  927    HE2  PHE 122           2HE      PHE 122  -2.654   4.808  10.161
  928    HZ   PHE 122           HZ       PHE 122  -3.677   2.717  10.970
  929    H    SER 123           H        SER 123   1.746   3.515   7.174
  930    HA   SER 123           HA       SER 123   0.162   1.456   5.995
  931   1HB   SER 123          1HB       SER 123  -1.236   3.917   7.060
  932   2HB   SER 123          2HB       SER 123  -1.935   2.861   5.833
  933    HG   SER 123           HG       SER 123  -2.059   2.560   8.425
  934   1H4   TSD 124          1H4       TSP 124  -1.175  -1.822  -0.043
  935   2H4   TSD 124          2H4       TSP 124  -0.317  -1.486  -1.529
  936   3H4   TSD 124          3H4       TSP 124  -1.672  -0.487  -1.057
  937   1H5   TSD 124          1H5       TSP 124   2.128  -1.501   0.104
  938   2H5   TSD 124          2H5       TSP 124   1.372  -1.512   1.680
  939   3H5   TSD 124          3H5       TSP 124   2.458  -0.214   1.241
  940   1H6   TSD 124          1H6       TSP 124  -1.607   1.069   1.275
  941   2H6   TSD 124          2H6       TSP 124  -0.122   1.855   1.758
  942   3H6   TSD 124          3H6       TSP 124  -0.554   0.307   2.444
  943   1D3   TSD 124          1D3       TSP 124   1.617   1.961  -0.403
  944   2D3   TSD 124          2D3       TSP 124   1.506   0.807  -1.717
  945   1D2   TSD 124          1D2       TSP 124  -0.676   2.746  -0.888
  946   2D2   TSD 124          2D2       TSP 124  -0.798   1.577  -2.200
  Start of MODEL   11
    1    HA   ILE   1           HA       ILE   1  -0.729  14.167  10.875
    2    HB   ILE   1           HB       ILE   1  -0.793  12.652   8.930
    3   1HG1  ILE   1          1HG1      ILE   1   1.249  11.012  10.450
    4   2HG1  ILE   1          2HG1      ILE   1  -0.432  10.541  10.218
    5   1HG2  ILE   1          1HG2      ILE   1   0.864  14.405   8.982
    6   2HG2  ILE   1          2HG2      ILE   1   1.565  12.965   8.247
    7   3HG2  ILE   1          3HG2      ILE   1   1.962  13.386   9.911
    8   1HD1  ILE   1          1HD1      ILE   1  -0.074  10.489   7.801
    9   2HD1  ILE   1          2HD1      ILE   1   1.018   9.396   8.652
   10   3HD1  ILE   1          3HD1      ILE   1   1.613  10.942   8.045
   11    H    ASP   2           H        ASP   2  -2.897  13.815  10.533
   12    HA   ASP   2           HA       ASP   2  -4.253  12.187  12.401
   13   1HB   ASP   2          1HB       ASP   2  -5.367  13.476   9.899
   14   2HB   ASP   2          2HB       ASP   2  -6.294  12.921  11.290
   15    H    GLN   3           H        GLN   3  -5.182  10.211  12.238
   16    HA   GLN   3           HA       GLN   3  -4.263   8.463  10.176
   17   1HB   GLN   3          1HB       GLN   3  -6.295   7.998  12.367
   18   2HB   GLN   3          2HB       GLN   3  -5.595   6.748  11.346
   19   1HG   GLN   3          1HG       GLN   3  -3.454   7.034  12.298
   20   2HG   GLN   3          2HG       GLN   3  -3.927   8.536  13.090
   21   1HE2  GLN   3          1HE2      GLN   3  -5.913   5.644  13.004
   22   2HE2  GLN   3          2HE2      GLN   3  -5.800   5.291  14.688
   23    H    ASP   4           H        ASP   4  -6.745  10.658  10.237
   24    HA   ASP   4           HA       ASP   4  -8.799   9.195   8.916
   25   1HB   ASP   4          1HB       ASP   4  -8.293  12.177   9.020
   26   2HB   ASP   4          2HB       ASP   4  -9.777  11.417   8.454
   27    H    THR   5           H        THR   5  -6.316  11.466   7.775
   28    HA   THR   5           HA       THR   5  -7.004  11.442   5.062
   29    HB   THR   5           HB       THR   5  -5.391  13.027   6.195
   30    HG1  THR   5           1HG      THR   5  -4.495  13.432   4.254
   31   1HG2  THR   5          1HG2      THR   5  -3.042  12.403   6.262
   32   2HG2  THR   5          2HG2      THR   5  -3.434  10.783   5.687
   33   3HG2  THR   5          3HG2      THR   5  -3.985  11.310   7.276
   34    H    VAL   6           H        VAL   6  -5.358   9.098   6.989
   35    HA   VAL   6           HA       VAL   6  -4.240   7.707   4.700
   36    HB   VAL   6           HB       VAL   6  -4.245   7.031   7.642
   37   1HG1  VAL   6          1HG1      VAL   6  -2.622   5.275   7.075
   38   2HG1  VAL   6          2HG1      VAL   6  -2.881   5.601   5.361
   39   3HG1  VAL   6          3HG1      VAL   6  -4.200   4.973   6.349
   40   1HG2  VAL   6          1HG2      VAL   6  -2.043   7.966   5.810
   41   2HG2  VAL   6          2HG2      VAL   6  -1.877   7.588   7.524
   42   3HG2  VAL   6          3HG2      VAL   6  -2.868   8.956   7.013
   43    H    VAL   7           H        VAL   7  -6.363   6.674   7.371
   44    HA   VAL   7           HA       VAL   7  -7.222   4.308   6.151
   45    HB   VAL   7           HB       VAL   7  -8.655   5.942   8.245
   46   1HG1  VAL   7          1HG1      VAL   7 -10.136   4.303   7.254
   47   2HG1  VAL   7          2HG1      VAL   7  -9.684   3.793   8.881
   48   3HG1  VAL   7          3HG1      VAL   7  -8.927   3.038   7.477
   49   1HG2  VAL   7          1HG2      VAL   7  -7.537   4.484   9.859
   50   2HG2  VAL   7          2HG2      VAL   7  -6.369   5.392   8.898
   51   3HG2  VAL   7          3HG2      VAL   7  -6.669   3.691   8.544
   52    H    ALA   8           H        ALA   8  -9.092   7.326   6.563
   53    HA   ALA   8           HA       ALA   8 -11.329   6.553   5.118
   54   1HB   ALA   8          1HB       ALA   8 -11.183   8.545   6.572
   55   2HB   ALA   8          2HB       ALA   8 -11.915   8.878   5.004
   56   3HB   ALA   8          3HB       ALA   8 -10.246   9.355   5.316
   57    H    LYS   9           H        LYS   9  -8.231   7.638   3.901
   58    HA   LYS   9           HA       LYS   9  -9.320   8.098   1.242
   59   1HB   LYS   9          1HB       LYS   9  -6.629   8.456   2.499
   60   2HB   LYS   9          2HB       LYS   9  -6.770   8.399   0.749
   61   1HG   LYS   9          1HG       LYS   9  -6.771  10.691   1.577
   62   2HG   LYS   9          2HG       LYS   9  -8.293  10.290   0.781
   63   1HD   LYS   9          1HD       LYS   9  -9.327   9.915   2.978
   64   2HD   LYS   9          2HD       LYS   9  -7.805  10.340   3.760
   65   1HE   LYS   9          1HE       LYS   9  -7.925  12.577   2.794
   66   2HE   LYS   9          2HE       LYS   9  -9.429  12.153   1.979
   67   1HZ   LYS   9          1HZ       LYS   9  -9.028  12.212   4.922
   68   2HZ   LYS   9          2HZ       LYS   9 -10.474  11.842   4.126
   69   3HZ   LYS   9          3HZ       LYS   9  -9.824  13.399   4.016
   70    H    TYR  10           H        TYR  10  -6.727   6.030   2.565
   71    HA   TYR  10           HA       TYR  10  -6.277   4.478   0.344
   72   1HB   TYR  10          1HB       TYR  10  -5.984   4.006   3.271
   73   2HB   TYR  10          2HB       TYR  10  -5.816   2.626   2.191
   74    HD1  TYR  10           1HD      TYR  10  -4.466   3.791  -0.123
   75    HD2  TYR  10           2HD      TYR  10  -3.837   4.496   4.027
   76    HE1  TYR  10           1HE      TYR  10  -2.127   4.403  -0.585
   77    HE2  TYR  10           2HE      TYR  10  -1.501   5.116   3.576
   78    HH   TYR  10           HH       TYR  10  -0.335   5.752   0.473
   79    H    MET  11           H        MET  11  -9.002   4.432   2.459
   80    HA   MET  11           HA       MET  11  -9.932   1.834   1.621
   81   1HB   MET  11          1HB       MET  11 -10.377   2.912   3.877
   82   2HB   MET  11          2HB       MET  11 -11.501   3.979   3.053
   83   1HG   MET  11          1HG       MET  11 -11.728   0.987   2.961
   84   2HG   MET  11          2HG       MET  11 -12.490   1.972   4.208
   85   1HE   MET  11          1HE       MET  11 -14.852   0.975   3.618
   86   2HE   MET  11          2HE       MET  11 -14.136  -0.037   2.365
   87   3HE   MET  11          3HE       MET  11 -15.543   0.960   1.996
   88    H    GLU  12           H        GLU  12 -11.301   5.111   1.325
   89    HA   GLU  12           HA       GLU  12 -13.173   4.387  -0.671
   90   1HB   GLU  12          1HB       GLU  12 -13.496   6.299   0.819
   91   2HB   GLU  12          2HB       GLU  12 -12.111   7.108   0.100
   92   1HG   GLU  12          1HG       GLU  12 -14.147   8.030  -0.788
   93   2HG   GLU  12          2HG       GLU  12 -13.287   7.161  -2.057
   94    H    TYR  13           H        TYR  13 -10.171   6.308  -0.892
   95    HA   TYR  13           HA       TYR  13 -10.184   6.810  -3.605
   96   1HB   TYR  13          1HB       TYR  13  -8.593   7.837  -2.052
   97   2HB   TYR  13          2HB       TYR  13  -7.788   6.290  -1.832
   98    HD1  TYR  13           1HD      TYR  13  -8.689   8.716  -4.528
   99    HD2  TYR  13           2HD      TYR  13  -5.931   5.800  -3.120
  100    HE1  TYR  13           1HE      TYR  13  -7.191   9.231  -6.409
  101    HE2  TYR  13           2HE      TYR  13  -4.426   6.308  -4.994
  102    HH   TYR  13           HH       TYR  13  -4.557   7.267  -7.253
  103    H    LEU  14           H        LEU  14  -9.595   3.811  -1.985
  104    HA   LEU  14           HA       LEU  14  -9.161   2.549  -4.590
  105   1HB   LEU  14          1HB       LEU  14  -7.467   2.061  -2.142
  106   2HB   LEU  14          2HB       LEU  14  -7.440   1.057  -3.577
  107    HG   LEU  14           HG       LEU  14  -6.668   3.975  -3.477
  108   1HD1  LEU  14          1HD1      LEU  14  -5.047   2.597  -2.322
  109   2HD1  LEU  14          2HD1      LEU  14  -4.390   3.136  -3.868
  110   3HD1  LEU  14          3HD1      LEU  14  -4.984   1.485  -3.689
  111   1HD2  LEU  14          1HD2      LEU  14  -7.530   3.486  -5.644
  112   2HD2  LEU  14          2HD2      LEU  14  -6.657   1.958  -5.712
  113   3HD2  LEU  14          3HD2      LEU  14  -5.771   3.481  -5.766
  114    H    MET  15           H        MET  15 -11.569   2.334  -3.811
  115    HA   MET  15           HA       MET  15 -11.806  -0.134  -2.233
  116   1HB   MET  15          1HB       MET  15 -13.047   1.600  -1.186
  117   2HB   MET  15          2HB       MET  15 -13.762   2.104  -2.709
  118   1HG   MET  15          1HG       MET  15 -15.035   0.057  -2.825
  119   2HG   MET  15          2HG       MET  15 -14.279  -0.523  -1.341
  120   1HE   MET  15          1HE       MET  15 -17.159   3.083  -1.547
  121   2HE   MET  15          2HE       MET  15 -16.700   2.103  -2.941
  122   3HE   MET  15          3HE       MET  15 -15.507   3.144  -2.163
  123    HA   PRO  16           HA       PRO  16 -14.735  -0.740  -6.124
  124   1HB   PRO  16          1HB       PRO  16 -13.384   1.084  -8.032
  125   2HB   PRO  16          2HB       PRO  16 -15.106   0.758  -7.814
  126   1HG   PRO  16          1HG       PRO  16 -14.018   3.056  -6.993
  127   2HG   PRO  16          2HG       PRO  16 -15.305   2.262  -6.067
  128   1HD   PRO  16          1HD       PRO  16 -12.365   2.348  -5.540
  129   2HD   PRO  16          2HD       PRO  16 -13.720   2.413  -4.397
  130    H    ASP  17           H        ASP  17 -11.351  -0.269  -5.923
  131    HA   ASP  17           HA       ASP  17 -10.775  -2.130  -8.095
  132   1HB   ASP  17          1HB       ASP  17  -8.877  -0.607  -6.296
  133   2HB   ASP  17          2HB       ASP  17  -8.430  -1.542  -7.722
  134    H    ILE  18           H        ILE  18 -11.116  -2.052  -4.684
  135    HA   ILE  18           HA       ILE  18  -9.483  -4.375  -4.172
  136    HB   ILE  18           HB       ILE  18 -11.389  -2.797  -2.455
  137   1HG1  ILE  18          1HG1      ILE  18  -8.392  -3.212  -2.399
  138   2HG1  ILE  18          2HG1      ILE  18  -9.232  -1.751  -2.905
  139   1HG2  ILE  18          1HG2      ILE  18  -9.864  -5.297  -1.732
  140   2HG2  ILE  18          2HG2      ILE  18 -11.612  -5.071  -1.714
  141   3HG2  ILE  18          3HG2      ILE  18 -10.600  -4.209  -0.556
  142   1HD1  ILE  18          1HD1      ILE  18  -9.224  -2.914  -0.130
  143   2HD1  ILE  18          2HD1      ILE  18 -10.069  -1.450  -0.632
  144   3HD1  ILE  18          3HD1      ILE  18  -8.307  -1.511  -0.677
  145    H    MET  19           H        MET  19 -12.905  -3.690  -4.631
  146    HA   MET  19           HA       MET  19 -14.129  -5.937  -3.708
  147   1HB   MET  19          1HB       MET  19 -14.775  -4.552  -6.312
  148   2HB   MET  19          2HB       MET  19 -15.861  -5.588  -5.396
  149   1HG   MET  19          1HG       MET  19 -15.791  -4.002  -3.533
  150   2HG   MET  19          2HG       MET  19 -14.724  -2.959  -4.474
  151   1HE   MET  19          1HE       MET  19 -18.133  -1.000  -4.413
  152   2HE   MET  19          2HE       MET  19 -16.398  -0.887  -4.114
  153   3HE   MET  19          3HE       MET  19 -17.395  -1.957  -3.128
  154    HA   PRO  20           HA       PRO  20 -13.294  -8.167  -8.077
  155   1HB   PRO  20          1HB       PRO  20 -10.526  -7.088  -8.356
  156   2HB   PRO  20          2HB       PRO  20 -11.692  -7.536  -9.606
  157   1HG   PRO  20          1HG       PRO  20 -11.258  -4.981  -9.024
  158   2HG   PRO  20          2HG       PRO  20 -12.895  -5.563  -9.377
  159   1HD   PRO  20          1HD       PRO  20 -11.661  -4.845  -6.761
  160   2HD   PRO  20          2HD       PRO  20 -13.332  -4.638  -7.316
  161    H    CYS  21           H        CYS  21 -10.366  -7.454  -6.139
  162    HA   CYS  21           HA       CYS  21  -9.716 -10.280  -6.020
  163   1HB   CYS  21          1HB       CYS  21  -8.344  -7.765  -5.147
  164   2HB   CYS  21          2HB       CYS  21  -7.796  -9.331  -4.558
  165    H    ALA  22           H        ALA  22 -11.504  -8.088  -4.162
  166    HA   ALA  22           HA       ALA  22 -11.020  -9.110  -1.570
  167   1HB   ALA  22          1HB       ALA  22 -13.081  -7.973  -0.929
  168   2HB   ALA  22          2HB       ALA  22 -13.480  -7.727  -2.629
  169   3HB   ALA  22          3HB       ALA  22 -12.065  -6.938  -1.932
  170    H    ASP  23           H        ASP  23 -12.432 -10.560  -4.222
  171    HA   ASP  23           HA       ASP  23 -14.396 -12.120  -2.783
  172   1HB   ASP  23          1HB       ASP  23 -14.829 -11.511  -5.110
  173   2HB   ASP  23          2HB       ASP  23 -13.366 -12.350  -5.620
  174    H    GLU  24           H        GLU  24 -11.353 -12.796  -4.494
  175    HA   GLU  24           HA       GLU  24 -11.215 -15.469  -3.388
  176   1HB   GLU  24          1HB       GLU  24 -10.269 -14.251  -5.695
  177   2HB   GLU  24          2HB       GLU  24  -8.820 -14.507  -4.734
  178   1HG   GLU  24          1HG       GLU  24 -10.822 -16.632  -5.466
  179   2HG   GLU  24          2HG       GLU  24  -9.268 -16.365  -6.259
  180    H    LEU  25           H        LEU  25 -10.102 -12.353  -2.597
  181    HA   LEU  25           HA       LEU  25  -8.261 -13.455  -0.573
  182   1HB   LEU  25          1HB       LEU  25  -8.021 -10.851  -2.044
  183   2HB   LEU  25          2HB       LEU  25  -6.915 -11.427  -0.815
  184    HG   LEU  25           HG       LEU  25  -7.359 -12.762  -3.489
  185   1HD1  LEU  25          1HD1      LEU  25  -6.298 -10.571  -3.727
  186   2HD1  LEU  25          2HD1      LEU  25  -5.174 -11.880  -4.093
  187   3HD1  LEU  25          3HD1      LEU  25  -5.074 -11.037  -2.547
  188   1HD2  LEU  25          1HD2      LEU  25  -5.380 -14.060  -2.910
  189   2HD2  LEU  25          2HD2      LEU  25  -6.658 -14.301  -1.720
  190   3HD2  LEU  25          3HD2      LEU  25  -5.293 -13.249  -1.346
  191    H    HIS  26           H        HIS  26 -10.980 -13.007  -0.144
  192    HA   HIS  26           HA       HIS  26 -11.631 -10.511   0.959
  193   1HB   HIS  26          1HB       HIS  26 -13.212 -12.394   0.304
  194   2HB   HIS  26          2HB       HIS  26 -12.814 -13.138   1.849
  195    HD1  HIS  26           1HD      HIS  26 -14.846 -10.454   0.315
  196    HD2  HIS  26           2HD      HIS  26 -13.783 -11.717   4.129
  197    HE1  HIS  26           1HE      HIS  26 -16.426  -9.277   1.876
  198    HE2  HIS  26           2HE      HIS  26 -15.731 -10.014   4.183
  199    H    ILE  27           H        ILE  27  -9.426 -10.346   2.099
  200    HA   ILE  27           HA       ILE  27  -9.907 -10.584   4.923
  201    HB   ILE  27           HB       ILE  27  -7.424 -11.561   5.051
  202   1HG1  ILE  27          1HG1      ILE  27  -7.262 -13.433   3.388
  203   2HG1  ILE  27          2HG1      ILE  27  -8.602 -12.713   2.527
  204   1HG2  ILE  27          1HG2      ILE  27  -9.872 -13.285   4.709
  205   2HG2  ILE  27          2HG2      ILE  27  -9.403 -12.450   6.190
  206   3HG2  ILE  27          3HG2      ILE  27  -8.385 -13.735   5.542
  207   1HD1  ILE  27          1HD1      ILE  27  -6.472 -12.149   1.506
  208   2HD1  ILE  27          2HD1      ILE  27  -5.937 -11.418   3.019
  209   3HD1  ILE  27          3HD1      ILE  27  -7.285 -10.712   2.126
  210    H    SER  28           H        SER  28  -9.850  -8.267   3.706
  211    HA   SER  28           HA       SER  28  -7.412  -7.061   3.118
  212   1HB   SER  28          1HB       SER  28  -8.627  -4.903   3.799
  213   2HB   SER  28          2HB       SER  28  -9.349  -5.863   2.507
  214    HG   SER  28           HG       SER  28 -10.114  -6.210   5.203
  215    H    GLU  29           H        GLU  29  -6.833  -4.957   4.620
  216    HA   GLU  29           HA       GLU  29  -5.477  -6.082   6.829
  217   1HB   GLU  29          1HB       GLU  29  -5.201  -3.801   5.350
  218   2HB   GLU  29          2HB       GLU  29  -5.811  -3.165   6.873
  219   1HG   GLU  29          1HG       GLU  29  -4.006  -4.221   8.080
  220   2HG   GLU  29          2HG       GLU  29  -3.423  -4.976   6.594
  221    H    ASP  30           H        ASP  30  -8.617  -5.814   6.659
  222    HA   ASP  30           HA       ASP  30  -9.008  -4.768   9.375
  223   1HB   ASP  30          1HB       ASP  30 -10.409  -3.707   7.671
  224   2HB   ASP  30          2HB       ASP  30 -11.021  -5.280   7.171
  225    H    ILE  31           H        ILE  31  -9.240  -7.590   7.357
  226    HA   ILE  31           HA       ILE  31 -10.410  -9.141   9.568
  227    HB   ILE  31           HB       ILE  31 -10.121  -9.925   6.663
  228   1HG1  ILE  31          1HG1      ILE  31 -11.738  -8.103   6.953
  229   2HG1  ILE  31          2HG1      ILE  31 -12.550  -9.603   6.521
  230   1HG2  ILE  31          1HG2      ILE  31 -11.550 -11.279   8.946
  231   2HG2  ILE  31          2HG2      ILE  31 -10.098 -11.852   8.126
  232   3HG2  ILE  31          3HG2      ILE  31 -11.631 -11.777   7.256
  233   1HD1  ILE  31          1HD1      ILE  31 -13.172  -9.928   8.865
  234   2HD1  ILE  31          2HD1      ILE  31 -13.786  -8.406   8.221
  235   3HD1  ILE  31          3HD1      ILE  31 -12.376  -8.410   9.279
  236    H    ALA  32           H        ALA  32  -7.737  -9.059   7.263
  237    HA   ALA  32           HA       ALA  32  -6.439 -11.423   8.115
  238   1HB   ALA  32          1HB       ALA  32  -4.453 -10.448   6.968
  239   2HB   ALA  32          2HB       ALA  32  -5.394  -8.980   6.698
  240   3HB   ALA  32          3HB       ALA  32  -5.910 -10.504   5.976
  241    H    THR  33           H        THR  33  -7.056  -8.752   9.883
  242    HA   THR  33           HA       THR  33  -4.560  -9.002  11.421
  243    HB   THR  33           HB       THR  33  -4.781  -6.791  10.366
  244    HG1  THR  33           1HG      THR  33  -5.139  -6.712  13.190
  245   1HG2  THR  33          1HG2      THR  33  -7.234  -6.662  10.309
  246   2HG2  THR  33          2HG2      THR  33  -6.524  -5.240  11.076
  247   3HG2  THR  33          3HG2      THR  33  -7.262  -6.500  12.065
  248    H    ASN  34           H        ASN  34  -6.437 -10.819  12.006
  249    HA   ASN  34           HA       ASN  34  -8.472 -10.240  13.760
  250   1HB   ASN  34          1HB       ASN  34  -7.760 -12.538  14.828
  251   2HB   ASN  34          2HB       ASN  34  -8.412 -12.472  13.195
  252   1HD2  ASN  34          1HD2      ASN  34  -5.187 -11.373  13.969
  253   2HD2  ASN  34          2HD2      ASN  34  -4.351 -12.652  13.165
  254    H    ILE  35           H        ILE  35  -8.174  -8.676  15.252
  255    HA   ILE  35           HA       ILE  35  -7.542  -7.666  17.188
  256    HB   ILE  35           HB       ILE  35  -6.257 -10.254  18.037
  257   1HG1  ILE  35          1HG1      ILE  35  -8.472 -10.803  17.141
  258   2HG1  ILE  35          2HG1      ILE  35  -8.452 -10.968  18.893
  259   1HG2  ILE  35          1HG2      ILE  35  -7.649  -8.051  19.556
  260   2HG2  ILE  35          2HG2      ILE  35  -5.913  -8.358  19.506
  261   3HG2  ILE  35          3HG2      ILE  35  -6.992  -9.526  20.268
  262   1HD1  ILE  35          1HD1      ILE  35  -9.565  -8.797  19.097
  263   2HD1  ILE  35          2HD1      ILE  35 -10.510  -9.943  18.145
  264   3HD1  ILE  35          3HD1      ILE  35  -9.603  -8.662  17.339
  265    H    GLN  36           H        GLN  36  -5.977  -6.786  15.388
  266    HA   GLN  36           HA       GLN  36  -3.464  -6.362  16.608
  267   1HB   GLN  36          1HB       GLN  36  -3.655  -8.374  14.441
  268   2HB   GLN  36          2HB       GLN  36  -2.382  -7.176  14.254
  269   1HG   GLN  36          1HG       GLN  36  -2.767  -9.029  16.593
  270   2HG   GLN  36          2HG       GLN  36  -1.528  -9.145  15.347
  271   1HE2  GLN  36          1HE2      GLN  36  -2.606  -7.436  18.172
  272   2HE2  GLN  36          2HE2      GLN  36  -1.135  -6.576  18.464
  273    H    ALA  37           H        ALA  37  -2.037  -5.101  14.893
  274    HA   ALA  37           HA       ALA  37  -3.800  -3.041  13.870
  275   1HB   ALA  37          1HB       ALA  37  -0.801  -3.086  13.953
  276   2HB   ALA  37          2HB       ALA  37  -1.844  -2.508  15.251
  277   3HB   ALA  37          3HB       ALA  37  -1.841  -1.686  13.690
  278    H    ALA  38           H        ALA  38  -0.859  -4.534  12.477
  279    HA   ALA  38           HA       ALA  38  -2.223  -5.086   9.982
  280   1HB   ALA  38          1HB       ALA  38  -1.651  -2.670   9.844
  281   2HB   ALA  38          2HB       ALA  38  -0.888  -3.659   8.597
  282   3HB   ALA  38          3HB       ALA  38   0.051  -3.116   9.987
  283    H    LYS  39           H        LYS  39   0.421  -4.933   8.546
  284    HA   LYS  39           HA       LYS  39   1.252  -7.536   8.652
  285   1HB   LYS  39          1HB       LYS  39   2.546  -6.798   6.993
  286   2HB   LYS  39          2HB       LYS  39   2.155  -5.145   7.431
  287   1HG   LYS  39          1HG       LYS  39   4.370  -6.632   8.798
  288   2HG   LYS  39          2HG       LYS  39   4.616  -5.812   7.259
  289   1HD   LYS  39          1HD       LYS  39   3.949  -3.701   8.227
  290   2HD   LYS  39          2HD       LYS  39   3.549  -4.494   9.753
  291   1HE   LYS  39          1HE       LYS  39   5.906  -5.147  10.008
  292   2HE   LYS  39          2HE       LYS  39   6.288  -4.308   8.504
  293   1HZ   LYS  39          1HZ       LYS  39   6.797  -2.946  10.430
  294   2HZ   LYS  39          2HZ       LYS  39   5.194  -3.043  10.958
  295   3HZ   LYS  39          3HZ       LYS  39   5.562  -2.238   9.517
  296    H    ASN  40           H        ASN  40   1.700  -5.153  11.001
  297    HA   ASN  40           HA       ASN  40   4.043  -6.131  12.274
  298   1HB   ASN  40          1HB       ASN  40   3.310  -4.702  14.180
  299   2HB   ASN  40          2HB       ASN  40   3.366  -3.841  12.642
  300   1HD2  ASN  40          1HD2      ASN  40   1.489  -3.133  11.708
  301   2HD2  ASN  40          2HD2      ASN  40  -0.026  -3.120  12.539
  302    H    GLY  41           H        GLY  41   2.121  -8.200  11.696
  303   1HA   GLY  41          1HA       GLY  41   2.146 -10.201  13.136
  304   2HA   GLY  41          2HA       GLY  41   1.619  -9.158  14.444
  305    H    ALA  42           H        ALA  42   0.200  -8.555  11.380
  306    HA   ALA  42           HA       ALA  42  -2.388  -9.518  12.308
  307   1HB   ALA  42          1HB       ALA  42  -1.558  -8.073   9.794
  308   2HB   ALA  42          2HB       ALA  42  -2.355  -7.375  11.202
  309   3HB   ALA  42          3HB       ALA  42  -3.216  -8.527  10.181
  310    H    ASP  43           H        ASP  43  -0.211 -10.003   9.583
  311    HA   ASP  43           HA       ASP  43  -0.563 -12.794   9.486
  312   1HB   ASP  43          1HB       ASP  43  -2.784 -11.909   8.545
  313   2HB   ASP  43          2HB       ASP  43  -1.847 -11.374   7.154
  314    H    MET  44           H        MET  44   0.083  -9.893   7.557
  315    HA   MET  44           HA       MET  44   1.838  -9.255   6.250
  316   1HB   MET  44          1HB       MET  44   3.097  -9.821   8.327
  317   2HB   MET  44          2HB       MET  44   3.350 -11.442   7.695
  318   1HG   MET  44          1HG       MET  44   4.581 -10.507   5.800
  319   2HG   MET  44          2HG       MET  44   4.335  -8.886   6.449
  320   1HE   MET  44          1HE       MET  44   8.181  -9.715   6.976
  321   2HE   MET  44          2HE       MET  44   7.041  -8.606   6.213
  322   3HE   MET  44          3HE       MET  44   7.151 -10.276   5.657
  323    H    SER  45           H        SER  45   0.444 -12.275   6.026
  324    HA   SER  45           HA       SER  45   2.078 -13.195   3.802
  325   1HB   SER  45          1HB       SER  45   1.333 -14.830   5.490
  326   2HB   SER  45          2HB       SER  45  -0.345 -14.479   5.077
  327    HG   SER  45           HG       SER  45   1.631 -15.758   3.526
  328    H    GLN  46           H        GLN  46  -1.405 -12.582   4.369
  329    HA   GLN  46           HA       GLN  46  -1.866 -12.515   1.509
  330   1HB   GLN  46          1HB       GLN  46  -3.660 -12.469   3.902
  331   2HB   GLN  46          2HB       GLN  46  -4.274 -12.095   2.297
  332   1HG   GLN  46          1HG       GLN  46  -2.981 -14.657   3.192
  333   2HG   GLN  46          2HG       GLN  46  -4.670 -14.400   2.770
  334   1HE2  GLN  46          1HE2      GLN  46  -2.730 -16.267   1.646
  335   2HE2  GLN  46          2HE2      GLN  46  -2.652 -15.917  -0.045
  336    H    LEU  47           H        LEU  47  -1.589 -10.217   4.127
  337    HA   LEU  47           HA       LEU  47  -2.965  -8.045   3.153
  338   1HB   LEU  47          1HB       LEU  47  -1.573  -8.335   5.312
  339   2HB   LEU  47          2HB       LEU  47  -0.215  -7.788   4.353
  340    HG   LEU  47           HG       LEU  47  -2.729  -6.176   4.815
  341   1HD1  LEU  47          1HD1      LEU  47  -0.031  -6.021   6.154
  342   2HD1  LEU  47          2HD1      LEU  47  -1.551  -6.507   6.906
  343   3HD1  LEU  47          3HD1      LEU  47  -1.335  -4.849   6.346
  344   1HD2  LEU  47          1HD2      LEU  47  -1.265  -4.305   4.039
  345   2HD2  LEU  47          2HD2      LEU  47  -1.652  -5.490   2.792
  346   3HD2  LEU  47          3HD2      LEU  47  -0.067  -5.510   3.566
  347    H    GLY  48           H        GLY  48   0.335  -9.025   2.328
  348   1HA   GLY  48          1HA       GLY  48   0.649  -6.908   0.424
  349   2HA   GLY  48          2HA       GLY  48   1.724  -8.280   0.647
  350    H    CYS  49           H        CYS  49  -1.700  -8.658   0.082
  351    HA   CYS  49           HA       CYS  49  -1.152  -9.453  -2.667
  352   1HB   CYS  49          1HB       CYS  49  -1.669 -11.242  -0.617
  353   2HB   CYS  49          2HB       CYS  49  -3.200 -11.084  -1.468
  354    H    LEU  50           H        LEU  50  -4.059  -9.520  -0.601
  355    HA   LEU  50           HA       LEU  50  -5.849  -8.669  -2.542
  356   1HB   LEU  50          1HB       LEU  50  -6.585  -9.505  -0.363
  357   2HB   LEU  50          2HB       LEU  50  -5.905  -8.099   0.430
  358    HG   LEU  50           HG       LEU  50  -7.511  -6.676  -0.871
  359   1HD1  LEU  50          1HD1      LEU  50  -8.781  -9.323  -1.531
  360   2HD1  LEU  50          2HD1      LEU  50  -7.945  -8.275  -2.675
  361   3HD1  LEU  50          3HD1      LEU  50  -9.430  -7.724  -1.899
  362   1HD2  LEU  50          1HD2      LEU  50  -9.528  -7.458   0.470
  363   2HD2  LEU  50          2HD2      LEU  50  -8.068  -7.043   1.367
  364   3HD2  LEU  50          3HD2      LEU  50  -8.477  -8.735   1.084
  365    H    LYS  51           H        LYS  51  -3.955  -6.787  -0.232
  366    HA   LYS  51           HA       LYS  51  -4.853  -4.258  -1.208
  367   1HB   LYS  51          1HB       LYS  51  -3.891  -4.822   1.120
  368   2HB   LYS  51          2HB       LYS  51  -2.315  -4.720   0.348
  369   1HG   LYS  51          1HG       LYS  51  -2.703  -2.418  -0.246
  370   2HG   LYS  51          2HG       LYS  51  -4.352  -2.502   0.377
  371   1HD   LYS  51          1HD       LYS  51  -3.385  -3.047   2.621
  372   2HD   LYS  51          2HD       LYS  51  -1.787  -2.726   1.947
  373   1HE   LYS  51          1HE       LYS  51  -2.643  -0.779   3.137
  374   2HE   LYS  51          2HE       LYS  51  -2.463  -0.441   1.416
  375   1HZ   LYS  51          1HZ       LYS  51  -4.549   0.418   2.294
  376   2HZ   LYS  51          2HZ       LYS  51  -5.012  -1.138   2.773
  377   3HZ   LYS  51          3HZ       LYS  51  -4.832  -0.777   1.130
  378    H    ALA  52           H        ALA  52  -2.373  -6.544  -2.035
  379    HA   ALA  52           HA       ALA  52  -0.757  -4.668  -3.533
  380   1HB   ALA  52          1HB       ALA  52   0.219  -6.677  -2.496
  381   2HB   ALA  52          2HB       ALA  52   0.503  -6.620  -4.235
  382   3HB   ALA  52          3HB       ALA  52  -0.738  -7.686  -3.579
  383    H    CYS  53           H        CYS  53  -3.613  -6.408  -4.039
  384    HA   CYS  53           HA       CYS  53  -3.444  -6.812  -6.845
  385   1HB   CYS  53          1HB       CYS  53  -4.993  -8.114  -5.516
  386   2HB   CYS  53          2HB       CYS  53  -5.810  -6.655  -4.968
  387    H    VAL  54           H        VAL  54  -4.494  -4.203  -4.776
  388    HA   VAL  54           HA       VAL  54  -5.824  -2.671  -6.756
  389    HB   VAL  54           HB       VAL  54  -4.474  -1.586  -4.287
  390   1HG1  VAL  54          1HG1      VAL  54  -5.305   0.064  -5.902
  391   2HG1  VAL  54          2HG1      VAL  54  -6.206   0.110  -4.388
  392   3HG1  VAL  54          3HG1      VAL  54  -6.909  -0.663  -5.808
  393   1HG2  VAL  54          1HG2      VAL  54  -5.831  -3.495  -3.638
  394   2HG2  VAL  54          2HG2      VAL  54  -7.205  -2.844  -4.530
  395   3HG2  VAL  54          3HG2      VAL  54  -6.593  -1.993  -3.112
  396    H    MET  55           H        MET  55  -2.494  -3.120  -5.922
  397    HA   MET  55           HA       MET  55  -1.404  -0.736  -6.911
  398   1HB   MET  55          1HB       MET  55  -0.163  -3.492  -6.882
  399   2HB   MET  55          2HB       MET  55   0.707  -1.977  -7.091
  400   1HG   MET  55          1HG       MET  55  -0.285  -1.324  -4.820
  401   2HG   MET  55          2HG       MET  55  -0.654  -3.039  -4.646
  402   1HE   MET  55          1HE       MET  55   1.218  -4.951  -4.741
  403   2HE   MET  55          2HE       MET  55   2.944  -4.621  -4.881
  404   3HE   MET  55          3HE       MET  55   1.872  -4.294  -6.242
  405    H    LYS  56           H        LYS  56  -2.032  -3.837  -8.536
  406    HA   LYS  56           HA       LYS  56  -1.067  -2.879 -11.063
  407   1HB   LYS  56          1HB       LYS  56  -2.613  -5.043 -11.708
  408   2HB   LYS  56          2HB       LYS  56  -0.914  -5.109 -11.278
  409   1HG   LYS  56          1HG       LYS  56  -1.435  -5.685  -9.023
  410   2HG   LYS  56          2HG       LYS  56  -3.152  -5.417  -9.303
  411   1HD   LYS  56          1HD       LYS  56  -3.109  -7.244 -10.985
  412   2HD   LYS  56          2HD       LYS  56  -1.429  -7.556 -10.542
  413   1HE   LYS  56          1HE       LYS  56  -3.785  -7.685  -8.664
  414   2HE   LYS  56          2HE       LYS  56  -3.002  -9.078  -9.413
  415   1HZ   LYS  56          1HZ       LYS  56  -0.949  -8.482  -8.277
  416   2HZ   LYS  56          2HZ       LYS  56  -2.201  -8.728  -7.167
  417   3HZ   LYS  56          3HZ       LYS  56  -1.710  -7.155  -7.551
  418    H    ARG  57           H        ARG  57  -3.961  -2.534  -9.332
  419    HA   ARG  57           HA       ARG  57  -5.717  -2.260 -11.582
  420   1HB   ARG  57          1HB       ARG  57  -6.030  -1.433  -8.691
  421   2HB   ARG  57          2HB       ARG  57  -7.304  -1.316  -9.897
  422   1HG   ARG  57          1HG       ARG  57  -5.954  -3.917  -9.253
  423   2HG   ARG  57          2HG       ARG  57  -7.343  -3.323  -8.343
  424   1HD   ARG  57          1HD       ARG  57  -8.252  -4.738  -9.977
  425   2HD   ARG  57          2HD       ARG  57  -8.516  -3.109 -10.595
  426    HE   ARG  57           HE       ARG  57  -6.154  -3.843 -11.711
  427   1HH1  ARG  57          1HH1      ARG  57  -9.323  -5.288 -11.591
  428   2HH1  ARG  57          2HH1      ARG  57  -9.162  -6.077 -13.125
  429   1HH2  ARG  57          1HH2      ARG  57  -5.932  -4.879 -13.730
  430   2HH2  ARG  57          2HH2      ARG  57  -7.235  -5.846 -14.340
  431    H    ILE  58           H        ILE  58  -3.510  -0.217  -9.896
  432    HA   ILE  58           HA       ILE  58  -4.582   2.146 -11.296
  433    HB   ILE  58           HB       ILE  58  -3.357   3.510  -9.636
  434   1HG1  ILE  58          1HG1      ILE  58  -2.907   0.886  -8.198
  435   2HG1  ILE  58          2HG1      ILE  58  -1.659   1.762  -9.075
  436   1HG2  ILE  58          1HG2      ILE  58  -5.320   1.532  -8.485
  437   2HG2  ILE  58          2HG2      ILE  58  -5.711   3.039  -9.312
  438   3HG2  ILE  58          3HG2      ILE  58  -4.880   3.077  -7.757
  439   1HD1  ILE  58          1HD1      ILE  58  -3.167   2.787  -6.681
  440   2HD1  ILE  58          2HD1      ILE  58  -1.888   3.639  -7.548
  441   3HD1  ILE  58          3HD1      ILE  58  -1.521   2.151  -6.677
  442    H    GLU  59           H        GLU  59  -2.728   0.053 -12.326
  443    HA   GLU  59           HA       GLU  59  -0.856  -0.108 -13.603
  444   1HB   GLU  59          1HB       GLU  59  -1.285   2.876 -13.696
  445   2HB   GLU  59          2HB       GLU  59  -0.042   2.061 -14.634
  446   1HG   GLU  59          1HG       GLU  59  -1.744   0.751 -15.778
  447   2HG   GLU  59          2HG       GLU  59  -3.000   1.526 -14.813
  448    H    MET  60           H        MET  60  -0.026  -0.668 -11.293
  449    HA   MET  60           HA       MET  60   2.445   0.863 -10.928
  450   1HB   MET  60          1HB       MET  60   0.750   1.618  -9.249
  451   2HB   MET  60          2HB       MET  60   0.703  -0.022  -8.622
  452   1HG   MET  60          1HG       MET  60   3.309   1.411  -8.792
  453   2HG   MET  60          2HG       MET  60   2.186   1.791  -7.488
  454   1HE   MET  60          1HE       MET  60   4.209   1.109  -5.831
  455   2HE   MET  60          2HE       MET  60   5.222   0.619  -7.189
  456   3HE   MET  60          3HE       MET  60   4.969  -0.483  -5.836
  457    H    LEU  61           H        LEU  61   0.721  -2.099 -10.927
  458    HA   LEU  61           HA       LEU  61   3.210  -3.545 -10.324
  459   1HB   LEU  61          1HB       LEU  61   1.818  -3.964  -8.460
  460   2HB   LEU  61          2HB       LEU  61   0.395  -4.174  -9.457
  461    HG   LEU  61           HG       LEU  61   1.183  -6.315 -10.244
  462   1HD1  LEU  61          1HD1      LEU  61   3.675  -5.752  -8.635
  463   2HD1  LEU  61          2HD1      LEU  61   3.560  -5.863 -10.393
  464   3HD1  LEU  61          3HD1      LEU  61   3.281  -7.293  -9.399
  465   1HD2  LEU  61          1HD2      LEU  61  -0.009  -6.308  -8.131
  466   2HD2  LEU  61          2HD2      LEU  61   1.500  -6.050  -7.258
  467   3HD2  LEU  61          3HD2      LEU  61   1.235  -7.559  -8.130
  468    H    LYS  62           H        LYS  62   3.878  -4.016 -12.346
  469    HA   LYS  62           HA       LYS  62   2.015  -5.540 -14.046
  470   1HB   LYS  62          1HB       LYS  62   4.159  -3.597 -14.923
  471   2HB   LYS  62          2HB       LYS  62   3.217  -4.609 -16.008
  472   1HG   LYS  62          1HG       LYS  62   1.809  -2.760 -14.139
  473   2HG   LYS  62          2HG       LYS  62   2.553  -2.124 -15.608
  474   1HD   LYS  62          1HD       LYS  62   0.415  -2.590 -16.338
  475   2HD   LYS  62          2HD       LYS  62   1.264  -4.076 -16.765
  476   1HE   LYS  62          1HE       LYS  62   0.448  -5.136 -14.722
  477   2HE   LYS  62          2HE       LYS  62  -0.378  -3.645 -14.273
  478   1HZ   LYS  62          1HZ       LYS  62  -0.955  -5.291 -16.679
  479   2HZ   LYS  62          2HZ       LYS  62  -1.745  -3.856 -16.260
  480   3HZ   LYS  62          3HZ       LYS  62  -1.899  -5.223 -15.277
  481    H    GLY  63           H        GLY  63   2.790  -7.520 -13.210
  482   1HA   GLY  63          1HA       GLY  63   4.139  -9.378 -13.228
  483   2HA   GLY  63          2HA       GLY  63   4.922  -8.668 -14.631
  484    H    THR  64           H        THR  64   4.739  -7.974 -11.156
  485    HA   THR  64           HA       THR  64   6.315  -7.764  -9.540
  486    HB   THR  64           HB       THR  64   8.449  -8.720  -9.683
  487    HG1  THR  64           1HG      THR  64   9.660  -8.635 -11.433
  488   1HG2  THR  64          1HG2      THR  64   6.722 -10.253 -11.631
  489   2HG2  THR  64          2HG2      THR  64   6.698 -10.407  -9.875
  490   3HG2  THR  64          3HG2      THR  64   8.130 -10.893 -10.783
  491    H    GLU  65           H        GLU  65   5.885  -5.891 -12.047
  492    HA   GLU  65           HA       GLU  65   8.205  -4.160 -11.701
  493   1HB   GLU  65          1HB       GLU  65   5.822  -4.063 -13.543
  494   2HB   GLU  65          2HB       GLU  65   7.007  -2.775 -13.451
  495   1HG   GLU  65          1HG       GLU  65   8.768  -4.345 -14.107
  496   2HG   GLU  65          2HG       GLU  65   7.563  -5.628 -14.226
  497    H    LEU  66           H        LEU  66   8.219  -2.558 -10.270
  498    HA   LEU  66           HA       LEU  66   5.633  -1.537  -9.305
  499   1HB   LEU  66          1HB       LEU  66   8.289  -1.592  -7.875
  500   2HB   LEU  66          2HB       LEU  66   6.820  -0.880  -7.243
  501    HG   LEU  66           HG       LEU  66   7.461  -3.787  -7.645
  502   1HD1  LEU  66          1HD1      LEU  66   8.107  -2.738  -5.538
  503   2HD1  LEU  66          2HD1      LEU  66   6.825  -3.925  -5.299
  504   3HD1  LEU  66          3HD1      LEU  66   6.445  -2.203  -5.291
  505   1HD2  LEU  66          1HD2      LEU  66   5.118  -4.273  -7.000
  506   2HD2  LEU  66          2HD2      LEU  66   5.256  -3.522  -8.589
  507   3HD2  LEU  66          3HD2      LEU  66   4.739  -2.563  -7.203
  508    H    TYR  67           H        TYR  67   5.149   0.370 -10.121
  509    HA   TYR  67           HA       TYR  67   7.178   2.124 -11.175
  510   1HB   TYR  67          1HB       TYR  67   4.172   2.343 -10.975
  511   2HB   TYR  67          2HB       TYR  67   5.182   3.608 -11.665
  512    HD1  TYR  67           1HD      TYR  67   4.165   0.064 -12.066
  513    HD2  TYR  67           2HD      TYR  67   5.946   3.470 -13.892
  514    HE1  TYR  67           1HE      TYR  67   4.090  -1.073 -14.245
  515    HE2  TYR  67           2HE      TYR  67   5.876   2.342 -16.077
  516    HH   TYR  67           HH       TYR  67   4.092  -0.509 -16.617
  517    H    VAL  68           H        VAL  68   6.695   4.592 -10.651
  518    HA   VAL  68           HA       VAL  68   6.375   4.948  -7.760
  519    HB   VAL  68           HB       VAL  68   8.804   4.706  -8.258
  520   1HG1  VAL  68          1HG1      VAL  68   9.957   6.510  -9.452
  521   2HG1  VAL  68          2HG1      VAL  68   8.401   7.236  -9.851
  522   3HG1  VAL  68          3HG1      VAL  68   8.826   5.652 -10.497
  523   1HG2  VAL  68          1HG2      VAL  68   8.051   5.999  -6.332
  524   2HG2  VAL  68          2HG2      VAL  68   7.952   7.449  -7.331
  525   3HG2  VAL  68          3HG2      VAL  68   9.515   6.696  -7.022
  526    H    GLU  69           H        GLU  69   5.836   5.954 -10.925
  527    HA   GLU  69           HA       GLU  69   5.503   8.746 -10.506
  528   1HB   GLU  69          1HB       GLU  69   4.316   6.990 -12.661
  529   2HB   GLU  69          2HB       GLU  69   4.407   8.746 -12.694
  530   1HG   GLU  69          1HG       GLU  69   6.816   8.661 -12.764
  531   2HG   GLU  69          2HG       GLU  69   6.786   6.907 -12.607
  532    HA   PRO  70           HA       PRO  70   0.781   7.665 -10.213
  533   1HB   PRO  70          1HB       PRO  70   0.178   5.133  -9.376
  534   2HB   PRO  70          2HB       PRO  70   0.219   5.625 -11.072
  535   1HG   PRO  70          1HG       PRO  70   2.266   4.160  -9.472
  536   2HG   PRO  70          2HG       PRO  70   1.768   3.915 -11.153
  537   1HD   PRO  70          1HD       PRO  70   4.046   5.215 -10.467
  538   2HD   PRO  70          2HD       PRO  70   3.124   5.597 -11.934
  539    H    VAL  71           H        VAL  71   3.099   6.142  -8.045
  540    HA   VAL  71           HA       VAL  71   1.536   6.232  -5.693
  541    HB   VAL  71           HB       VAL  71   4.546   6.446  -5.836
  542   1HG1  VAL  71          1HG1      VAL  71   4.457   5.333  -3.646
  543   2HG1  VAL  71          2HG1      VAL  71   2.695   5.393  -3.699
  544   3HG1  VAL  71          3HG1      VAL  71   3.627   6.889  -3.634
  545   1HG2  VAL  71          1HG2      VAL  71   2.774   4.014  -5.966
  546   2HG2  VAL  71          2HG2      VAL  71   4.499   3.954  -5.609
  547   3HG2  VAL  71          3HG2      VAL  71   3.943   4.560  -7.169
  548    H    TYR  72           H        TYR  72   4.074   8.453  -6.856
  549    HA   TYR  72           HA       TYR  72   3.845  10.341  -4.829
  550   1HB   TYR  72          1HB       TYR  72   4.665  10.567  -7.715
  551   2HB   TYR  72          2HB       TYR  72   4.637  11.977  -6.665
  552    HD1  TYR  72           1HD      TYR  72   7.051  12.258  -7.101
  553    HD2  TYR  72           2HD      TYR  72   5.544   8.775  -5.171
  554    HE1  TYR  72           1HE      TYR  72   9.314  11.723  -6.305
  555    HE2  TYR  72           2HE      TYR  72   7.802   8.235  -4.373
  556    HH   TYR  72           HH       TYR  72  10.380  10.440  -4.512
  557    H    LYS  73           H        LYS  73   1.702   9.582  -7.393
  558    HA   LYS  73           HA       LYS  73   0.302  12.111  -7.325
  559   1HB   LYS  73          1HB       LYS  73   0.473   9.913  -9.123
  560   2HB   LYS  73          2HB       LYS  73  -1.214  10.101  -8.662
  561   1HG   LYS  73          1HG       LYS  73   0.547  12.274  -9.779
  562   2HG   LYS  73          2HG       LYS  73  -0.669  11.365 -10.679
  563   1HD   LYS  73          1HD       LYS  73  -2.429  12.258  -9.288
  564   2HD   LYS  73          2HD       LYS  73  -1.250  13.064  -8.253
  565   1HE   LYS  73          1HE       LYS  73  -2.141  14.715  -9.708
  566   2HE   LYS  73          2HE       LYS  73  -0.511  14.356 -10.275
  567   1HZ   LYS  73          1HZ       LYS  73  -1.474  12.901 -11.963
  568   2HZ   LYS  73          2HZ       LYS  73  -2.046  14.484 -12.120
  569   3HZ   LYS  73          3HZ       LYS  73  -3.031  13.293 -11.433
  570    H    MET  74           H        MET  74  -0.220   8.815  -6.100
  571    HA   MET  74           HA       MET  74  -2.888   9.358  -5.244
  572   1HB   MET  74          1HB       MET  74  -2.848   7.194  -4.209
  573   2HB   MET  74          2HB       MET  74  -2.061   7.069  -5.774
  574   1HG   MET  74          1HG       MET  74  -0.609   5.864  -4.522
  575   2HG   MET  74          2HG       MET  74   0.103   7.460  -4.330
  576   1HE   MET  74          1HE       MET  74   0.599   5.659  -0.841
  577   2HE   MET  74          2HE       MET  74   1.408   6.293  -2.275
  578   3HE   MET  74          3HE       MET  74   0.476   4.800  -2.377
  579    H    ILE  75           H        ILE  75   0.278   9.264  -3.670
  580    HA   ILE  75           HA       ILE  75  -0.451   9.629  -1.035
  581    HB   ILE  75           HB       ILE  75   1.895  10.916  -2.447
  582   1HG1  ILE  75          1HG1      ILE  75   1.752   8.295  -0.941
  583   2HG1  ILE  75          2HG1      ILE  75   1.759   8.442  -2.695
  584   1HG2  ILE  75          1HG2      ILE  75   1.419  11.911  -0.255
  585   2HG2  ILE  75          2HG2      ILE  75   2.939  11.017  -0.257
  586   3HG2  ILE  75          3HG2      ILE  75   1.504  10.310   0.480
  587   1HD1  ILE  75          1HD1      ILE  75   3.976   9.446  -2.607
  588   2HD1  ILE  75          2HD1      ILE  75   3.957   7.858  -1.839
  589   3HD1  ILE  75          3HD1      ILE  75   3.967   9.317  -0.849
  590    H    GLU  76           H        GLU  76  -0.563  11.870  -3.683
  591    HA   GLU  76           HA       GLU  76  -0.593  14.305  -2.320
  592   1HB   GLU  76          1HB       GLU  76  -1.953  13.473  -4.878
  593   2HB   GLU  76          2HB       GLU  76  -1.941  15.131  -4.293
  594   1HG   GLU  76          1HG       GLU  76   0.538  15.066  -4.328
  595   2HG   GLU  76          2HG       GLU  76   0.443  13.469  -5.065
  596    H    VAL  77           H        VAL  77  -3.442  12.434  -3.412
  597    HA   VAL  77           HA       VAL  77  -5.175  14.057  -1.737
  598    HB   VAL  77           HB       VAL  77  -5.908  11.660  -3.425
  599   1HG1  VAL  77          1HG1      VAL  77  -7.576  13.899  -2.281
  600   2HG1  VAL  77          2HG1      VAL  77  -7.582  12.214  -1.757
  601   3HG1  VAL  77          3HG1      VAL  77  -8.163  12.640  -3.367
  602   1HG2  VAL  77          1HG2      VAL  77  -6.605  13.298  -5.128
  603   2HG2  VAL  77          2HG2      VAL  77  -4.866  13.339  -4.828
  604   3HG2  VAL  77          3HG2      VAL  77  -5.909  14.589  -4.148
  605    H    VAL  78           H        VAL  78  -3.617  10.990  -1.686
  606    HA   VAL  78           HA       VAL  78  -5.248   9.756   0.295
  607    HB   VAL  78           HB       VAL  78  -2.520   9.114  -0.842
  608   1HG1  VAL  78          1HG1      VAL  78  -2.552   7.018   0.406
  609   2HG1  VAL  78          2HG1      VAL  78  -4.030   7.512   1.232
  610   3HG1  VAL  78          3HG1      VAL  78  -2.527   8.390   1.510
  611   1HG2  VAL  78          1HG2      VAL  78  -4.426   8.700  -2.278
  612   2HG2  VAL  78          2HG2      VAL  78  -5.205   7.753  -1.011
  613   3HG2  VAL  78          3HG2      VAL  78  -3.714   7.176  -1.752
  614    H    HIS  79           H        HIS  79  -3.112  12.294   0.444
  615    HA   HIS  79           HA       HIS  79  -2.941  12.104   3.342
  616   1HB   HIS  79          1HB       HIS  79  -0.538  12.393   1.539
  617   2HB   HIS  79          2HB       HIS  79  -0.514  12.857   3.238
  618    HD1  HIS  79           1HD      HIS  79  -0.628  10.938   4.990
  619    HD2  HIS  79           2HD      HIS  79  -0.466   9.657   1.041
  620    HE1  HIS  79           1HE      HIS  79  -0.100   8.482   5.103
  621    HE2  HIS  79           2HE      HIS  79  -0.066   7.715   2.702
  622    H    ALA  80           H        ALA  80  -4.623  13.702   1.870
  623    HA   ALA  80           HA       ALA  80  -3.601  16.270   1.288
  624   1HB   ALA  80          1HB       ALA  80  -5.923  16.992   1.240
  625   2HB   ALA  80          2HB       ALA  80  -6.421  15.496   2.031
  626   3HB   ALA  80          3HB       ALA  80  -5.736  15.450   0.405
  627    H    GLY  81           H        GLY  81  -3.185  17.991   2.526
  628   1HA   GLY  81          1HA       GLY  81  -4.337  18.968   4.743
  629   2HA   GLY  81          2HA       GLY  81  -3.344  17.679   5.409
  630    H    ASN  82           H        ASN  82  -1.009  17.739   4.394
  631    HA   ASN  82           HA       ASN  82  -0.080  20.533   4.396
  632   1HB   ASN  82          1HB       ASN  82   1.179  18.172   5.804
  633   2HB   ASN  82          2HB       ASN  82   1.937  19.752   5.639
  634   1HD2  ASN  82          1HD2      ASN  82   1.142  21.484   6.808
  635   2HD2  ASN  82          2HD2      ASN  82   0.074  21.278   8.149
  636    H    ALA  83           H        ALA  83   1.719  21.003   3.124
  637    HA   ALA  83           HA       ALA  83   1.970  19.497   0.744
  638   1HB   ALA  83          1HB       ALA  83   3.707  21.095   0.136
  639   2HB   ALA  83          2HB       ALA  83   3.761  21.685   1.797
  640   3HB   ALA  83          3HB       ALA  83   2.308  21.920   0.824
  641    H    ASP  84           H        ASP  84   3.863  19.606   3.710
  642    HA   ASP  84           HA       ASP  84   5.967  17.978   2.582
  643   1HB   ASP  84          1HB       ASP  84   6.991  18.052   4.762
  644   2HB   ASP  84          2HB       ASP  84   6.455  19.671   4.325
  645    H    ASP  85           H        ASP  85   3.073  17.536   4.490
  646    HA   ASP  85           HA       ASP  85   3.495  15.008   5.546
  647   1HB   ASP  85          1HB       ASP  85   1.486  16.240   6.094
  648   2HB   ASP  85          2HB       ASP  85   0.960  16.216   4.414
  649    H    ILE  86           H        ILE  86   2.845  16.034   2.302
  650    HA   ILE  86           HA       ILE  86   2.440  13.366   1.275
  651    HB   ILE  86           HB       ILE  86   2.771  16.038  -0.109
  652   1HG1  ILE  86          1HG1      ILE  86   0.305  14.308   0.137
  653   2HG1  ILE  86          2HG1      ILE  86   0.685  15.605   1.264
  654   1HG2  ILE  86          1HG2      ILE  86   3.565  14.256  -1.562
  655   2HG2  ILE  86          2HG2      ILE  86   2.030  14.890  -2.150
  656   3HG2  ILE  86          3HG2      ILE  86   2.076  13.351  -1.294
  657   1HD1  ILE  86          1HD1      ILE  86  -0.919  16.295  -0.444
  658   2HD1  ILE  86          2HD1      ILE  86   0.271  15.943  -1.697
  659   3HD1  ILE  86          3HD1      ILE  86   0.575  17.229  -0.528
  660    H    GLN  87           H        GLN  87   4.969  15.768   1.527
  661    HA   GLN  87           HA       GLN  87   6.843  14.478  -0.176
  662   1HB   GLN  87          1HB       GLN  87   7.193  16.557   1.980
  663   2HB   GLN  87          2HB       GLN  87   8.493  16.010   0.930
  664   1HG   GLN  87          1HG       GLN  87   5.978  17.423   0.115
  665   2HG   GLN  87          2HG       GLN  87   7.608  18.085   0.121
  666   1HE2  GLN  87          1HE2      GLN  87   8.773  15.606  -0.903
  667   2HE2  GLN  87          2HE2      GLN  87   8.369  15.548  -2.582
  668    H    LEU  88           H        LEU  88   5.815  13.947   3.039
  669    HA   LEU  88           HA       LEU  88   8.225  12.686   3.965
  670   1HB   LEU  88          1HB       LEU  88   6.755  13.744   5.564
  671   2HB   LEU  88          2HB       LEU  88   5.415  12.732   5.065
  672    HG   LEU  88           HG       LEU  88   6.670  10.747   5.916
  673   1HD1  LEU  88          1HD1      LEU  88   8.558  11.114   7.414
  674   2HD1  LEU  88          2HD1      LEU  88   8.523  12.840   7.048
  675   3HD1  LEU  88          3HD1      LEU  88   8.922  11.679   5.782
  676   1HD2  LEU  88          1HD2      LEU  88   6.146  12.929   7.930
  677   2HD2  LEU  88          2HD2      LEU  88   6.220  11.199   8.266
  678   3HD2  LEU  88          3HD2      LEU  88   4.935  11.845   7.247
  679    H    VAL  89           H        VAL  89   5.055  11.592   2.816
  680    HA   VAL  89           HA       VAL  89   5.619   8.819   3.120
  681    HB   VAL  89           HB       VAL  89   3.591  10.053   1.258
  682   1HG1  VAL  89          1HG1      VAL  89   3.971   7.674   0.909
  683   2HG1  VAL  89          2HG1      VAL  89   2.377   7.952   1.612
  684   3HG1  VAL  89          3HG1      VAL  89   3.699   7.366   2.624
  685   1HG2  VAL  89          1HG2      VAL  89   3.273  11.003   3.458
  686   2HG2  VAL  89          2HG2      VAL  89   3.335   9.400   4.191
  687   3HG2  VAL  89          3HG2      VAL  89   1.995   9.833   3.129
  688    H    LYS  90           H        LYS  90   6.148  11.165   0.592
  689    HA   LYS  90           HA       LYS  90   6.512   9.566  -1.629
  690   1HB   LYS  90          1HB       LYS  90   7.270  12.233  -0.810
  691   2HB   LYS  90          2HB       LYS  90   8.553  11.492  -1.756
  692   1HG   LYS  90          1HG       LYS  90   7.407  12.283  -3.506
  693   2HG   LYS  90          2HG       LYS  90   6.382  10.875  -3.252
  694   1HD   LYS  90          1HD       LYS  90   4.857  12.187  -1.904
  695   2HD   LYS  90          2HD       LYS  90   5.901  13.595  -2.083
  696   1HE   LYS  90          1HE       LYS  90   4.597  12.146  -4.374
  697   2HE   LYS  90          2HE       LYS  90   3.939  13.589  -3.610
  698   1HZ   LYS  90          1HZ       LYS  90   5.941  14.790  -4.239
  699   2HZ   LYS  90          2HZ       LYS  90   5.181  14.139  -5.602
  700   3HZ   LYS  90          3HZ       LYS  90   6.569  13.402  -4.976
  701    H    GLY  91           H        GLY  91   8.666  10.156   1.083
  702   1HA   GLY  91          1HA       GLY  91  10.868   8.710  -0.110
  703   2HA   GLY  91          2HA       GLY  91  10.805   9.363   1.521
  704    H    ILE  92           H        ILE  92   8.258   8.034   2.132
  705    HA   ILE  92           HA       ILE  92   9.246   5.664   3.257
  706    HB   ILE  92           HB       ILE  92   6.349   6.257   2.644
  707   1HG1  ILE  92          1HG1      ILE  92   7.237   8.150   3.850
  708   2HG1  ILE  92          2HG1      ILE  92   6.274   7.183   4.962
  709   1HG2  ILE  92          1HG2      ILE  92   5.915   4.830   4.599
  710   2HG2  ILE  92          2HG2      ILE  92   7.644   4.499   4.721
  711   3HG2  ILE  92          3HG2      ILE  92   6.742   3.963   3.303
  712   1HD1  ILE  92          1HD1      ILE  92   8.320   6.203   5.866
  713   2HD1  ILE  92          2HD1      ILE  92   8.289   7.955   6.036
  714   3HD1  ILE  92          3HD1      ILE  92   9.275   7.208   4.779
  715    H    ALA  93           H        ALA  93   7.607   6.314   0.223
  716    HA   ALA  93           HA       ALA  93   7.240   3.551  -0.460
  717   1HB   ALA  93          1HB       ALA  93   6.507   4.387  -2.623
  718   2HB   ALA  93          2HB       ALA  93   7.099   5.999  -2.219
  719   3HB   ALA  93          3HB       ALA  93   5.751   5.303  -1.319
  720    H    ASN  94           H        ASN  94   9.822   5.785  -0.641
  721    HA   ASN  94           HA       ASN  94  11.188   4.617  -2.871
  722   1HB   ASN  94          1HB       ASN  94  11.618   6.932  -2.276
  723   2HB   ASN  94          2HB       ASN  94  12.148   6.456  -0.667
  724   1HD2  ASN  94          1HD2      ASN  94  12.939   4.736  -3.614
  725   2HD2  ASN  94          2HD2      ASN  94  14.629   5.096  -3.592
  726    H    GLU  95           H        GLU  95  11.391   4.352   0.641
  727    HA   GLU  95           HA       GLU  95  13.599   2.551   0.654
  728   1HB   GLU  95          1HB       GLU  95  11.516   3.020   2.802
  729   2HB   GLU  95          2HB       GLU  95  13.091   2.271   3.020
  730   1HG   GLU  95          1HG       GLU  95  14.208   4.336   2.526
  731   2HG   GLU  95          2HG       GLU  95  12.677   5.108   2.120
  732    H    CYS  96           H        CYS  96  10.270   2.238   0.035
  733    HA   CYS  96           HA       CYS  96  10.058  -0.542   0.777
  734   1HB   CYS  96          1HB       CYS  96   8.298   1.644   0.054
  735   2HB   CYS  96          2HB       CYS  96   7.881   0.176  -0.807
  736    H    ILE  97           H        ILE  97  10.379   1.382  -2.171
  737    HA   ILE  97           HA       ILE  97   9.987  -0.786  -3.970
  738    HB   ILE  97           HB       ILE  97  11.270   1.917  -4.361
  739   1HG1  ILE  97          1HG1      ILE  97   8.611   0.850  -5.328
  740   2HG1  ILE  97          2HG1      ILE  97   8.809   1.791  -3.855
  741   1HG2  ILE  97          1HG2      ILE  97  11.057   1.469  -6.788
  742   2HG2  ILE  97          2HG2      ILE  97  10.628  -0.199  -6.412
  743   3HG2  ILE  97          3HG2      ILE  97  12.225   0.418  -5.989
  744   1HD1  ILE  97          1HD1      ILE  97   9.611   3.681  -5.145
  745   2HD1  ILE  97          2HD1      ILE  97   8.030   3.153  -5.724
  746   3HD1  ILE  97          3HD1      ILE  97   9.485   2.736  -6.630
  747    H    GLU  98           H        GLU  98  12.817   0.627  -2.424
  748    HA   GLU  98           HA       GLU  98  14.748  -0.755  -3.986
  749   1HB   GLU  98          1HB       GLU  98  14.966   0.469  -1.232
  750   2HB   GLU  98          2HB       GLU  98  16.328  -0.112  -2.181
  751   1HG   GLU  98          1HG       GLU  98  15.851   1.540  -3.901
  752   2HG   GLU  98          2HG       GLU  98  14.463   2.112  -2.979
  753    H    ASN  99           H        ASN  99  12.626  -1.800  -1.578
  754    HA   ASN  99           HA       ASN  99  14.335  -4.094  -0.898
  755   1HB   ASN  99          1HB       ASN  99  13.571  -2.919   1.062
  756   2HB   ASN  99          2HB       ASN  99  11.905  -2.948   0.490
  757   1HD2  ASN  99          1HD2      ASN  99  10.736  -4.861   0.591
  758   2HD2  ASN  99          2HD2      ASN  99  11.238  -6.195   1.569
  759    H    ALA 100           H        ALA 100  10.996  -3.278  -1.780
  760    HA   ALA 100           HA       ALA 100  10.504  -6.064  -2.518
  761   1HB   ALA 100          1HB       ALA 100   8.864  -4.883  -1.091
  762   2HB   ALA 100          2HB       ALA 100   8.168  -5.474  -2.600
  763   3HB   ALA 100          3HB       ALA 100   8.557  -3.763  -2.418
  764    H    LYS 101           H        LYS 101  12.290  -4.762  -4.178
  765    HA   LYS 101           HA       LYS 101  11.515  -3.405  -6.358
  766   1HB   LYS 101          1HB       LYS 101  13.146  -4.982  -7.671
  767   2HB   LYS 101          2HB       LYS 101  13.745  -3.881  -6.439
  768   1HG   LYS 101          1HG       LYS 101  14.822  -5.942  -6.080
  769   2HG   LYS 101          2HG       LYS 101  13.598  -5.785  -4.825
  770   1HD   LYS 101          1HD       LYS 101  12.357  -7.069  -6.993
  771   2HD   LYS 101          2HD       LYS 101  13.922  -7.852  -6.763
  772   1HE   LYS 101          1HE       LYS 101  11.892  -7.366  -4.581
  773   2HE   LYS 101          2HE       LYS 101  12.116  -8.890  -5.433
  774   1HZ   LYS 101          1HZ       LYS 101  14.189  -7.524  -3.808
  775   2HZ   LYS 101          2HZ       LYS 101  14.363  -9.014  -4.589
  776   3HZ   LYS 101          3HZ       LYS 101  13.275  -8.857  -3.305
  777    H    GLY 102           H        GLY 102  10.608  -6.685  -5.643
  778   1HA   GLY 102          1HA       GLY 102   8.358  -7.030  -6.926
  779   2HA   GLY 102          2HA       GLY 102   9.438  -7.023  -8.311
  780    H    GLU 103           H        GLU 103   8.339  -8.787  -5.529
  781    HA   GLU 103           HA       GLU 103  10.184 -10.926  -5.643
  782   1HB   GLU 103          1HB       GLU 103   7.370 -10.783  -4.552
  783   2HB   GLU 103          2HB       GLU 103   8.433 -12.168  -4.340
  784   1HG   GLU 103          1HG       GLU 103   9.012  -9.377  -3.376
  785   2HG   GLU 103          2HG       GLU 103   8.383 -10.690  -2.382
  786    H    THR 104           H        THR 104   9.061 -13.265  -5.904
  787    HA   THR 104           HA       THR 104   8.300 -13.364  -8.715
  788    HB   THR 104           HB       THR 104  10.084 -14.858  -8.054
  789    HG1  THR 104           1HG      THR 104   8.000 -16.693  -8.317
  790   1HG2  THR 104          1HG2      THR 104   9.519 -15.111  -5.688
  791   2HG2  THR 104          2HG2      THR 104   9.712 -16.685  -6.459
  792   3HG2  THR 104          3HG2      THR 104   8.097 -16.061  -6.121
  793    H    ASP 105           H        ASP 105   6.992 -14.074  -5.542
  794    HA   ASP 105           HA       ASP 105   4.567 -15.206  -6.714
  795   1HB   ASP 105          1HB       ASP 105   5.506 -16.388  -4.798
  796   2HB   ASP 105          2HB       ASP 105   5.421 -14.922  -3.827
  797    H    GLU 106           H        GLU 106   2.586 -14.247  -6.624
  798    HA   GLU 106           HA       GLU 106   2.303 -11.547  -6.808
  799   1HB   GLU 106          1HB       GLU 106   0.563 -13.152  -7.441
  800   2HB   GLU 106          2HB       GLU 106   0.242 -13.482  -5.745
  801   1HG   GLU 106          1HG       GLU 106  -0.458 -11.155  -5.433
  802   2HG   GLU 106          2HG       GLU 106  -0.158 -10.846  -7.142
  803    H    CYS 107           H        CYS 107   1.263 -13.339  -3.895
  804    HA   CYS 107           HA       CYS 107   0.814 -11.111  -2.300
  805   1HB   CYS 107          1HB       CYS 107   1.655 -13.888  -1.450
  806   2HB   CYS 107          2HB       CYS 107   0.979 -12.665  -0.382
  807    H    ASN 108           H        ASN 108   3.772 -13.041  -2.679
  808    HA   ASN 108           HA       ASN 108   5.290 -11.862  -0.666
  809   1HB   ASN 108          1HB       ASN 108   6.150 -13.030  -3.316
  810   2HB   ASN 108          2HB       ASN 108   7.273 -12.564  -2.043
  811   1HD2  ASN 108          1HD2      ASN 108   8.025 -14.646  -1.762
  812   2HD2  ASN 108          2HD2      ASN 108   7.079 -15.884  -1.021
  813    H    ILE 109           H        ILE 109   4.713 -10.779  -3.976
  814    HA   ILE 109           HA       ILE 109   6.653  -8.760  -4.094
  815    HB   ILE 109           HB       ILE 109   3.958  -8.916  -5.449
  816   1HG1  ILE 109          1HG1      ILE 109   6.722  -9.478  -6.536
  817   2HG1  ILE 109          2HG1      ILE 109   5.631 -10.722  -5.939
  818   1HG2  ILE 109          1HG2      ILE 109   6.278  -7.070  -6.003
  819   2HG2  ILE 109          2HG2      ILE 109   4.684  -6.609  -5.405
  820   3HG2  ILE 109          3HG2      ILE 109   4.862  -7.258  -7.035
  821   1HD1  ILE 109          1HD1      ILE 109   5.517 -10.637  -8.330
  822   2HD1  ILE 109          2HD1      ILE 109   5.178  -8.905  -8.292
  823   3HD1  ILE 109          3HD1      ILE 109   3.994 -10.051  -7.661
  824    H    GLY 110           H        GLY 110   3.322  -8.706  -2.890
  825   1HA   GLY 110          1HA       GLY 110   3.501  -5.878  -2.258
  826   2HA   GLY 110          2HA       GLY 110   2.113  -6.921  -1.995
  827    H    ASN 111           H        ASN 111   3.786  -8.929  -0.570
  828    HA   ASN 111           HA       ASN 111   3.324  -8.055   2.041
  829   1HB   ASN 111          1HB       ASN 111   5.079 -10.260   0.966
  830   2HB   ASN 111          2HB       ASN 111   4.852  -9.986   2.689
  831   1HD2  ASN 111          1HD2      ASN 111   2.209  -9.397   2.887
  832   2HD2  ASN 111          2HD2      ASN 111   1.263 -10.745   2.366
  833    H    LYS 112           H        LYS 112   6.220  -7.882   0.057
  834    HA   LYS 112           HA       LYS 112   7.834  -6.869   2.216
  835   1HB   LYS 112          1HB       LYS 112   8.282  -7.235  -0.738
  836   2HB   LYS 112          2HB       LYS 112   9.439  -6.367   0.262
  837   1HG   LYS 112          1HG       LYS 112   9.631  -8.379   1.697
  838   2HG   LYS 112          2HG       LYS 112   8.581  -9.236   0.568
  839   1HD   LYS 112          1HD       LYS 112  10.181  -8.948  -1.212
  840   2HD   LYS 112          2HD       LYS 112  11.196  -7.934  -0.184
  841   1HE   LYS 112          1HE       LYS 112  11.528  -9.850   1.331
  842   2HE   LYS 112          2HE       LYS 112  10.573 -10.855   0.241
  843   1HZ   LYS 112          1HZ       LYS 112  12.967 -11.115  -0.101
  844   2HZ   LYS 112          2HZ       LYS 112  13.097  -9.475  -0.493
  845   3HZ   LYS 112          3HZ       LYS 112  12.200 -10.511  -1.483
  846    H    TYR 113           H        TYR 113   6.093  -5.580  -0.547
  847    HA   TYR 113           HA       TYR 113   7.038  -2.917  -0.330
  848   1HB   TYR 113          1HB       TYR 113   5.983  -3.925  -2.368
  849   2HB   TYR 113          2HB       TYR 113   4.429  -3.835  -1.545
  850    HD1  TYR 113           1HD      TYR 113   3.148  -1.880  -1.659
  851    HD2  TYR 113           2HD      TYR 113   7.273  -1.730  -2.691
  852    HE1  TYR 113           1HE      TYR 113   2.860   0.428  -2.454
  853    HE2  TYR 113           2HE      TYR 113   6.998   0.578  -3.486
  854    HH   TYR 113           HH       TYR 113   4.236   2.432  -2.827
  855    H    THR 114           H        THR 114   4.570  -4.689   1.349
  856    HA   THR 114           HA       THR 114   3.305  -2.270   2.350
  857    HB   THR 114           HB       THR 114   1.884  -4.227   1.861
  858    HG1  THR 114           1HG      THR 114   0.767  -3.242   3.366
  859   1HG2  THR 114          1HG2      THR 114   3.297  -5.537   4.189
  860   2HG2  THR 114          2HG2      THR 114   3.510  -5.978   2.495
  861   3HG2  THR 114          3HG2      THR 114   1.943  -6.200   3.272
  862    H    ASP 115           H        ASP 115   5.265  -4.952   3.556
  863    HA   ASP 115           HA       ASP 115   5.468  -4.511   6.209
  864   1HB   ASP 115          1HB       ASP 115   6.723  -6.230   4.896
  865   2HB   ASP 115          2HB       ASP 115   7.855  -4.965   4.408
  866    H    CYS 116           H        CYS 116   7.876  -3.115   4.014
  867    HA   CYS 116           HA       CYS 116   9.016  -1.333   5.794
  868   1HB   CYS 116          1HB       CYS 116   9.595  -0.057   3.596
  869   2HB   CYS 116          2HB       CYS 116  10.232  -1.679   3.852
  870    H    TYR 117           H        TYR 117   6.239  -0.848   3.654
  871    HA   TYR 117           HA       TYR 117   5.944   1.899   3.886
  872   1HB   TYR 117          1HB       TYR 117   4.458  -0.200   2.796
  873   2HB   TYR 117          2HB       TYR 117   3.369   0.564   3.950
  874    HD1  TYR 117           1HD      TYR 117   2.774   2.956   3.690
  875    HD2  TYR 117           2HD      TYR 117   5.083   0.898   0.767
  876    HE1  TYR 117           1HE      TYR 117   2.289   4.734   2.065
  877    HE2  TYR 117           2HE      TYR 117   4.608   2.674  -0.867
  878    HH   TYR 117           HH       TYR 117   2.915   4.411  -1.256
  879    H    ILE 118           H        ILE 118   4.962  -0.655   6.085
  880    HA   ILE 118           HA       ILE 118   3.631   1.183   7.872
  881    HB   ILE 118           HB       ILE 118   4.225  -1.742   8.082
  882   1HG1  ILE 118          1HG1      ILE 118   1.556  -0.392   7.832
  883   2HG1  ILE 118          2HG1      ILE 118   2.486  -0.927   6.436
  884   1HG2  ILE 118          1HG2      ILE 118   2.763  -1.786  10.054
  885   2HG2  ILE 118          2HG2      ILE 118   2.705  -0.025  10.017
  886   3HG2  ILE 118          3HG2      ILE 118   4.233  -0.849  10.316
  887   1HD1  ILE 118          1HD1      ILE 118   0.753  -2.525   7.079
  888   2HD1  ILE 118          2HD1      ILE 118   1.510  -2.699   8.663
  889   3HD1  ILE 118          3HD1      ILE 118   2.370  -3.214   7.210
  890    H    GLU 119           H        GLU 119   6.669  -0.552   7.666
  891    HA   GLU 119           HA       GLU 119   7.611  -0.290  10.254
  892   1HB   GLU 119          1HB       GLU 119   8.722  -1.630   8.527
  893   2HB   GLU 119          2HB       GLU 119   9.201  -0.161   7.688
  894   1HG   GLU 119          1HG       GLU 119  10.563   0.496   9.599
  895   2HG   GLU 119          2HG       GLU 119  10.075  -0.966  10.453
  896    H    LYS 120           H        LYS 120   7.936   2.019   7.556
  897    HA   LYS 120           HA       LYS 120   9.298   3.904   9.279
  898   1HB   LYS 120          1HB       LYS 120   8.489   4.001   6.379
  899   2HB   LYS 120          2HB       LYS 120   9.224   5.364   7.209
  900   1HG   LYS 120          1HG       LYS 120  10.998   4.316   6.128
  901   2HG   LYS 120          2HG       LYS 120  11.123   3.769   7.801
  902   1HD   LYS 120          1HD       LYS 120  10.025   1.673   7.210
  903   2HD   LYS 120          2HD       LYS 120   9.848   2.224   5.543
  904   1HE   LYS 120          1HE       LYS 120  12.308   2.375   5.372
  905   2HE   LYS 120          2HE       LYS 120  12.439   1.734   7.009
  906   1HZ   LYS 120          1HZ       LYS 120  12.748  -0.004   5.374
  907   2HZ   LYS 120          2HZ       LYS 120  11.240   0.327   4.683
  908   3HZ   LYS 120          3HZ       LYS 120  11.332  -0.287   6.257
  909    H    LEU 121           H        LEU 121   6.147   3.738   7.605
  910    HA   LEU 121           HA       LEU 121   5.367   6.205   8.990
  911   1HB   LEU 121          1HB       LEU 121   4.985   5.401   6.408
  912   2HB   LEU 121          2HB       LEU 121   3.448   4.986   7.136
  913    HG   LEU 121           HG       LEU 121   4.719   7.722   7.094
  914   1HD1  LEU 121          1HD1      LEU 121   3.832   7.051   4.937
  915   2HD1  LEU 121          2HD1      LEU 121   2.818   8.300   5.658
  916   3HD1  LEU 121          3HD1      LEU 121   2.296   6.615   5.684
  917   1HD2  LEU 121          1HD2      LEU 121   2.063   6.842   8.224
  918   2HD2  LEU 121          2HD2      LEU 121   2.638   8.505   8.107
  919   3HD2  LEU 121          3HD2      LEU 121   3.464   7.358   9.162
  920    H    PHE 122           H        PHE 122   4.024   2.998   8.318
  921    HA   PHE 122           HA       PHE 122   3.299   1.729  10.359
  922   1HB   PHE 122          1HB       PHE 122   1.512   2.593  11.643
  923   2HB   PHE 122          2HB       PHE 122   2.711   3.862  11.519
  924    HD1  PHE 122           1HD      PHE 122   0.002   4.450  12.388
  925    HD2  PHE 122           2HD      PHE 122   1.606   4.230   8.452
  926    HE1  PHE 122           1HE      PHE 122  -1.734   6.008  11.604
  927    HE2  PHE 122           2HE      PHE 122  -0.130   5.798   7.657
  928    HZ   PHE 122           HZ       PHE 122  -1.801   6.685   9.235
  929    H    SER 123           H        SER 123   2.378   2.924   7.409
  930    HA   SER 123           HA       SER 123   0.381   0.802   7.085
  931   1HB   SER 123          1HB       SER 123  -1.063   2.266   5.780
  932   2HB   SER 123          2HB       SER 123  -0.807   2.956   7.381
  933    HG   SER 123           HG       SER 123   0.637   4.409   6.504
  934   1H4   TSD 124          1H4       TSP 124  -0.133   0.718   1.477
  935   2H4   TSD 124          2H4       TSP 124  -0.564   2.335   0.973
  936   3H4   TSD 124          3H4       TSP 124   1.059   1.739   0.707
  937   1H5   TSD 124          1H5       TSP 124  -2.514   1.648  -1.901
  938   2H5   TSD 124          2H5       TSP 124  -2.728   1.335  -0.194
  939   3H5   TSD 124          3H5       TSP 124  -2.705   0.006  -1.330
  940   1H6   TSD 124          1H6       TSP 124   1.099  -0.986  -0.932
  941   2H6   TSD 124          2H6       TSP 124  -0.205  -1.262  -2.063
  942   3H6   TSD 124          3H6       TSP 124  -0.463  -1.515  -0.352
  943   1D3   TSD 124          1D3       TSP 124   0.041   2.851  -2.057
  944   2D3   TSD 124          2D3       TSP 124   1.397   1.741  -2.057
  945   1D2   TSD 124          1D2       TSP 124  -1.055   1.569  -3.837
  946   2D2   TSD 124          2D2       TSP 124   0.245   0.378  -3.804
  Start of MODEL   12
    1    HA   ILE   1           HA       ILE   1  -1.005  13.906  11.294
    2    HB   ILE   1           HB       ILE   1  -1.155  12.569   9.199
    3   1HG1  ILE   1          1HG1      ILE   1   1.105  10.971  10.428
    4   2HG1  ILE   1          2HG1      ILE   1  -0.540  10.384  10.209
    5   1HG2  ILE   1          1HG2      ILE   1   1.635  13.381  10.006
    6   2HG2  ILE   1          2HG2      ILE   1   0.376  14.463   9.411
    7   3HG2  ILE   1          3HG2      ILE   1   1.037  13.214   8.354
    8   1HD1  ILE   1          1HD1      ILE   1  -0.292  10.622   7.787
    9   2HD1  ILE   1          2HD1      ILE   1   0.918   9.538   8.475
   10   3HD1  ILE   1          3HD1      ILE   1   1.364  11.183   8.020
   11    H    ASP   2           H        ASP   2  -3.171  13.489  10.922
   12    HA   ASP   2           HA       ASP   2  -4.474  11.779  12.709
   13   1HB   ASP   2          1HB       ASP   2  -5.544  13.019  10.165
   14   2HB   ASP   2          2HB       ASP   2  -6.525  12.336  11.459
   15    H    GLN   3           H        GLN   3  -5.347   9.776  12.557
   16    HA   GLN   3           HA       GLN   3  -4.217   7.909  10.808
   17   1HB   GLN   3          1HB       GLN   3  -6.656   7.778  12.577
   18   2HB   GLN   3          2HB       GLN   3  -6.083   6.398  11.652
   19   1HG   GLN   3          1HG       GLN   3  -5.283   6.238  13.908
   20   2HG   GLN   3          2HG       GLN   3  -3.923   6.538  12.825
   21   1HE2  GLN   3          1HE2      GLN   3  -2.867   8.512  12.898
   22   2HE2  GLN   3          2HE2      GLN   3  -3.061   9.617  14.213
   23    H    ASP   4           H        ASP   4  -6.753  10.105  10.312
   24    HA   ASP   4           HA       ASP   4  -8.209   8.590   8.361
   25   1HB   ASP   4          1HB       ASP   4  -8.191  11.558   8.949
   26   2HB   ASP   4          2HB       ASP   4  -9.331  10.749   7.880
   27    H    THR   5           H        THR   5  -5.804  11.174   8.279
   28    HA   THR   5           HA       THR   5  -5.649  11.757   5.608
   29    HB   THR   5           HB       THR   5  -3.248  11.400   7.404
   30    HG1  THR   5           1HG      THR   5  -3.715  13.759   7.729
   31   1HG2  THR   5          1HG2      THR   5  -2.287  13.194   6.041
   32   2HG2  THR   5          2HG2      THR   5  -3.744  13.221   5.049
   33   3HG2  THR   5          3HG2      THR   5  -2.706  11.795   5.054
   34    H    VAL   6           H        VAL   6  -4.204   9.023   7.286
   35    HA   VAL   6           HA       VAL   6  -3.034   8.015   4.830
   36    HB   VAL   6           HB       VAL   6  -3.065   6.820   7.602
   37   1HG1  VAL   6          1HG1      VAL   6  -2.774   5.101   5.919
   38   2HG1  VAL   6          2HG1      VAL   6  -1.252   5.383   6.765
   39   3HG1  VAL   6          3HG1      VAL   6  -1.496   6.041   5.147
   40   1HG2  VAL   6          1HG2      VAL   6  -0.914   8.346   6.138
   41   2HG2  VAL   6          2HG2      VAL   6  -0.745   7.590   7.724
   42   3HG2  VAL   6          3HG2      VAL   6  -1.861   8.937   7.503
   43    H    VAL   7           H        VAL   7  -5.123   6.518   7.306
   44    HA   VAL   7           HA       VAL   7  -5.895   4.356   5.688
   45    HB   VAL   7           HB       VAL   7  -7.389   5.483   8.054
   46   1HG1  VAL   7          1HG1      VAL   7  -8.721   3.905   6.782
   47   2HG1  VAL   7          2HG1      VAL   7  -8.214   3.176   8.306
   48   3HG1  VAL   7          3HG1      VAL   7  -7.400   2.736   6.804
   49   1HG2  VAL   7          1HG2      VAL   7  -5.177   3.435   7.943
   50   2HG2  VAL   7          2HG2      VAL   7  -6.117   3.844   9.377
   51   3HG2  VAL   7          3HG2      VAL   7  -5.071   5.054   8.634
   52    H    ALA   8           H        ALA   8  -7.945   7.089   6.740
   53    HA   ALA   8           HA       ALA   8 -10.164   6.484   5.220
   54   1HB   ALA   8          1HB       ALA   8  -9.264   9.287   5.834
   55   2HB   ALA   8          2HB       ALA   8 -10.004   8.210   7.018
   56   3HB   ALA   8          3HB       ALA   8 -10.911   8.708   5.590
   57    H    LYS   9           H        LYS   9  -7.158   7.890   4.106
   58    HA   LYS   9           HA       LYS   9  -8.399   8.779   1.624
   59   1HB   LYS   9          1HB       LYS   9  -5.563   8.939   2.631
   60   2HB   LYS   9          2HB       LYS   9  -6.056   9.483   1.033
   61   1HG   LYS   9          1HG       LYS   9  -7.168  10.546   3.621
   62   2HG   LYS   9          2HG       LYS   9  -5.883  11.309   2.685
   63   1HD   LYS   9          1HD       LYS   9  -7.579  12.451   1.742
   64   2HD   LYS   9          2HD       LYS   9  -7.780  10.988   0.777
   65   1HE   LYS   9          1HE       LYS   9  -9.914  11.717   1.690
   66   2HE   LYS   9          2HE       LYS   9  -9.440  10.166   2.380
   67   1HZ   LYS   9          1HZ       LYS   9  -9.106  12.807   3.696
   68   2HZ   LYS   9          2HZ       LYS   9  -8.678  11.311   4.359
   69   3HZ   LYS   9          3HZ       LYS   9 -10.306  11.670   4.064
   70    H    TYR  10           H        TYR  10  -5.656   6.637   2.439
   71    HA   TYR  10           HA       TYR  10  -5.334   5.528  -0.091
   72   1HB   TYR  10          1HB       TYR  10  -4.707   4.500   2.664
   73   2HB   TYR  10          2HB       TYR  10  -4.377   3.527   1.237
   74    HD1  TYR  10           1HD      TYR  10  -3.138   5.032  -0.695
   75    HD2  TYR  10           2HD      TYR  10  -2.894   5.635   3.510
   76    HE1  TYR  10           1HE      TYR  10  -0.998   6.205  -0.993
   77    HE2  TYR  10           2HE      TYR  10  -0.753   6.808   3.222
   78    HH   TYR  10           HH       TYR  10   1.068   6.954   1.616
   79    H    MET  11           H        MET  11  -7.760   4.915   2.285
   80    HA   MET  11           HA       MET  11  -8.539   2.363   1.164
   81   1HB   MET  11          1HB       MET  11  -8.762   2.719   3.560
   82   2HB   MET  11          2HB       MET  11  -9.825   4.091   3.283
   83   1HG   MET  11          1HG       MET  11 -11.495   2.620   2.308
   84   2HG   MET  11          2HG       MET  11 -10.426   1.239   2.538
   85   1HE   MET  11          1HE       MET  11 -13.417   1.286   3.567
   86   2HE   MET  11          2HE       MET  11 -13.245   0.615   5.188
   87   3HE   MET  11          3HE       MET  11 -12.337  -0.080   3.846
   88    H    GLU  12           H        GLU  12 -10.117   5.546   1.517
   89    HA   GLU  12           HA       GLU  12 -12.337   4.926  -0.098
   90   1HB   GLU  12          1HB       GLU  12 -12.273   6.793   1.518
   91   2HB   GLU  12          2HB       GLU  12 -11.135   7.639   0.477
   92   1HG   GLU  12          1HG       GLU  12 -13.367   8.520   0.191
   93   2HG   GLU  12          2HG       GLU  12 -12.819   7.735  -1.289
   94    H    TYR  13           H        TYR  13  -9.108   5.849  -0.905
   95    HA   TYR  13           HA       TYR  13  -9.490   7.049  -3.397
   96   1HB   TYR  13          1HB       TYR  13  -7.321   6.612  -1.928
   97   2HB   TYR  13          2HB       TYR  13  -7.153   5.236  -3.011
   98    HD1  TYR  13           1HD      TYR  13  -6.110   8.481  -2.527
   99    HD2  TYR  13           2HD      TYR  13  -7.645   5.970  -5.602
  100    HE1  TYR  13           1HE      TYR  13  -5.096   9.944  -4.221
  101    HE2  TYR  13           2HE      TYR  13  -6.633   7.427  -7.304
  102    HH   TYR  13           HH       TYR  13  -4.339   9.814  -6.553
  103    H    LEU  14           H        LEU  14  -9.129   3.611  -2.561
  104    HA   LEU  14           HA       LEU  14 -10.343   2.951  -5.146
  105   1HB   LEU  14          1HB       LEU  14  -7.823   1.739  -4.026
  106   2HB   LEU  14          2HB       LEU  14  -8.760   0.990  -5.304
  107    HG   LEU  14           HG       LEU  14  -8.384   3.465  -6.353
  108   1HD1  LEU  14          1HD1      LEU  14  -5.892   2.820  -4.786
  109   2HD1  LEU  14          2HD1      LEU  14  -6.979   4.176  -4.491
  110   3HD1  LEU  14          3HD1      LEU  14  -6.058   4.096  -5.993
  111   1HD2  LEU  14          1HD2      LEU  14  -6.520   1.104  -6.567
  112   2HD2  LEU  14          2HD2      LEU  14  -6.645   2.429  -7.724
  113   3HD2  LEU  14          3HD2      LEU  14  -8.009   1.338  -7.482
  114    H    MET  15           H        MET  15 -11.437   3.012  -2.450
  115    HA   MET  15           HA       MET  15 -11.570   0.599  -1.145
  116   1HB   MET  15          1HB       MET  15 -12.647   2.820  -0.508
  117   2HB   MET  15          2HB       MET  15 -13.990   2.347  -1.538
  118   1HG   MET  15          1HG       MET  15 -14.332   0.349  -0.180
  119   2HG   MET  15          2HG       MET  15 -12.980   0.824   0.847
  120   1HE   MET  15          1HE       MET  15 -15.766   3.110  -0.767
  121   2HE   MET  15          2HE       MET  15 -16.950   3.160   0.539
  122   3HE   MET  15          3HE       MET  15 -16.634   1.645  -0.306
  123    HA   PRO  16           HA       PRO  16 -15.225  -0.821  -3.996
  124   1HB   PRO  16          1HB       PRO  16 -15.391   0.346  -6.451
  125   2HB   PRO  16          2HB       PRO  16 -16.288   0.923  -5.042
  126   1HG   PRO  16          1HG       PRO  16 -13.728   1.950  -6.208
  127   2HG   PRO  16          2HG       PRO  16 -15.132   2.859  -5.614
  128   1HD   PRO  16          1HD       PRO  16 -12.901   2.550  -4.138
  129   2HD   PRO  16          2HD       PRO  16 -14.513   2.614  -3.403
  130    H    ASP  17           H        ASP  17 -12.238   0.291  -5.510
  131    HA   ASP  17           HA       ASP  17 -12.110  -1.918  -7.346
  132   1HB   ASP  17          1HB       ASP  17 -10.033   0.141  -6.580
  133   2HB   ASP  17          2HB       ASP  17  -9.862  -1.024  -7.890
  134    H    ILE  18           H        ILE  18 -11.738  -1.819  -4.109
  135    HA   ILE  18           HA       ILE  18  -9.396  -3.534  -3.942
  136    HB   ILE  18           HB       ILE  18 -11.182  -2.255  -1.897
  137   1HG1  ILE  18          1HG1      ILE  18  -8.175  -2.276  -2.156
  138   2HG1  ILE  18          2HG1      ILE  18  -9.199  -1.080  -2.940
  139   1HG2  ILE  18          1HG2      ILE  18  -9.173  -4.443  -1.377
  140   2HG2  ILE  18          2HG2      ILE  18 -10.907  -4.490  -1.053
  141   3HG2  ILE  18          3HG2      ILE  18  -9.868  -3.404  -0.132
  142   1HD1  ILE  18          1HD1      ILE  18 -10.007  -0.341  -0.764
  143   2HD1  ILE  18          2HD1      ILE  18  -8.251  -0.227  -0.872
  144   3HD1  ILE  18          3HD1      ILE  18  -8.996  -1.551   0.026
  145    H    MET  19           H        MET  19 -12.898  -3.755  -3.398
  146    HA   MET  19           HA       MET  19 -12.952  -6.350  -2.381
  147   1HB   MET  19          1HB       MET  19 -15.302  -6.402  -2.888
  148   2HB   MET  19          2HB       MET  19 -14.863  -4.814  -2.280
  149   1HG   MET  19          1HG       MET  19 -14.905  -3.919  -4.532
  150   2HG   MET  19          2HG       MET  19 -15.278  -5.515  -5.175
  151   1HE   MET  19          1HE       MET  19 -17.000  -2.936  -5.852
  152   2HE   MET  19          2HE       MET  19 -18.639  -3.564  -5.691
  153   3HE   MET  19          3HE       MET  19 -17.394  -4.541  -6.468
  154    HA   PRO  20           HA       PRO  20 -13.556  -7.691  -7.159
  155   1HB   PRO  20          1HB       PRO  20 -11.019  -6.298  -7.915
  156   2HB   PRO  20          2HB       PRO  20 -12.436  -6.661  -8.906
  157   1HG   PRO  20          1HG       PRO  20 -12.053  -4.207  -8.009
  158   2HG   PRO  20          2HG       PRO  20 -13.680  -4.918  -7.995
  159   1HD   PRO  20          1HD       PRO  20 -11.771  -4.505  -5.739
  160   2HD   PRO  20          2HD       PRO  20 -13.536  -4.354  -5.763
  161    H    CYS  21           H        CYS  21 -10.274  -7.006  -5.906
  162    HA   CYS  21           HA       CYS  21  -9.337  -9.617  -6.621
  163   1HB   CYS  21          1HB       CYS  21  -8.123  -7.345  -5.065
  164   2HB   CYS  21          2HB       CYS  21  -7.299  -8.889  -5.266
  165    H    ALA  22           H        ALA  22 -10.678  -8.166  -3.751
  166    HA   ALA  22           HA       ALA  22  -9.804  -9.902  -1.780
  167   1HB   ALA  22          1HB       ALA  22 -11.163  -7.914  -1.331
  168   2HB   ALA  22          2HB       ALA  22 -11.858  -9.349  -0.576
  169   3HB   ALA  22          3HB       ALA  22 -12.563  -8.704  -2.058
  170    H    ASP  23           H        ASP  23 -12.398 -10.320  -4.139
  171    HA   ASP  23           HA       ASP  23 -13.109 -12.926  -3.083
  172   1HB   ASP  23          1HB       ASP  23 -14.856 -11.449  -3.998
  173   2HB   ASP  23          2HB       ASP  23 -14.066 -11.486  -5.571
  174    H    GLU  24           H        GLU  24 -10.890 -11.618  -5.272
  175    HA   GLU  24           HA       GLU  24 -10.702 -13.613  -7.225
  176   1HB   GLU  24          1HB       GLU  24  -9.619 -11.353  -7.287
  177   2HB   GLU  24          2HB       GLU  24  -8.424 -11.953  -6.148
  178   1HG   GLU  24          1HG       GLU  24  -7.766 -13.675  -7.771
  179   2HG   GLU  24          2HG       GLU  24  -8.926 -13.010  -8.921
  180    H    LEU  25           H        LEU  25  -8.718 -13.213  -4.258
  181    HA   LEU  25           HA       LEU  25  -7.616 -15.881  -4.692
  182   1HB   LEU  25          1HB       LEU  25  -7.093 -14.068  -2.345
  183   2HB   LEU  25          2HB       LEU  25  -6.075 -15.361  -2.962
  184    HG   LEU  25           HG       LEU  25  -6.600 -12.728  -4.349
  185   1HD1  LEU  25          1HD1      LEU  25  -4.264 -12.246  -3.835
  186   2HD1  LEU  25          2HD1      LEU  25  -4.138 -13.769  -2.954
  187   3HD1  LEU  25          3HD1      LEU  25  -5.204 -12.495  -2.363
  188   1HD2  LEU  25          1HD2      LEU  25  -6.241 -14.531  -5.943
  189   2HD2  LEU  25          2HD2      LEU  25  -4.774 -15.008  -5.091
  190   3HD2  LEU  25          3HD2      LEU  25  -4.854 -13.445  -5.902
  191    H    HIS  26           H        HIS  26  -9.601 -14.176  -2.302
  192    HA   HIS  26           HA       HIS  26 -11.156 -16.369  -1.604
  193   1HB   HIS  26          1HB       HIS  26  -8.865 -17.099  -0.660
  194   2HB   HIS  26          2HB       HIS  26  -9.128 -15.865   0.567
  195    HD1  HIS  26           1HD      HIS  26 -10.244 -19.243  -0.510
  196    HD2  HIS  26           2HD      HIS  26 -11.181 -16.451   2.421
  197    HE1  HIS  26           1HE      HIS  26 -11.682 -20.469   1.150
  198    HE2  HIS  26           2HE      HIS  26 -12.182 -18.776   2.950
  199    H    ILE  27           H        ILE  27  -9.437 -13.826   0.146
  200    HA   ILE  27           HA       ILE  27 -11.934 -12.404   0.680
  201    HB   ILE  27           HB       ILE  27 -11.171 -12.161   3.097
  202   1HG1  ILE  27          1HG1      ILE  27  -9.284 -14.270   2.084
  203   2HG1  ILE  27          2HG1      ILE  27  -8.965 -12.899   3.142
  204   1HG2  ILE  27          1HG2      ILE  27 -12.022 -14.902   2.168
  205   2HG2  ILE  27          2HG2      ILE  27 -13.092 -13.521   2.394
  206   3HG2  ILE  27          3HG2      ILE  27 -12.261 -14.227   3.778
  207   1HD1  ILE  27          1HD1      ILE  27  -8.760 -14.911   4.408
  208   2HD1  ILE  27          2HD1      ILE  27 -10.349 -15.464   3.883
  209   3HD1  ILE  27          3HD1      ILE  27 -10.210 -14.062   4.946
  210    H    SER  28           H        SER  28 -11.350 -10.324   2.000
  211    HA   SER  28           HA       SER  28  -9.227  -8.990   0.556
  212   1HB   SER  28          1HB       SER  28 -10.080  -6.940   1.650
  213   2HB   SER  28          2HB       SER  28 -11.338  -7.814   0.777
  214    HG   SER  28           HG       SER  28 -12.199  -7.336   2.736
  215    H    GLU  29           H        GLU  29  -8.077  -7.218   1.988
  216    HA   GLU  29           HA       GLU  29  -6.300  -8.624   3.685
  217   1HB   GLU  29          1HB       GLU  29  -5.493  -6.733   2.447
  218   2HB   GLU  29          2HB       GLU  29  -6.708  -5.679   3.155
  219   1HG   GLU  29          1HG       GLU  29  -4.846  -7.014   5.020
  220   2HG   GLU  29          2HG       GLU  29  -4.177  -5.755   3.983
  221    H    ASP  30           H        ASP  30  -9.312  -7.095   4.205
  222    HA   ASP  30           HA       ASP  30  -8.838  -6.763   7.072
  223   1HB   ASP  30          1HB       ASP  30 -11.197  -5.837   7.050
  224   2HB   ASP  30          2HB       ASP  30 -10.007  -4.926   6.126
  225    H    ILE  31           H        ILE  31 -10.711  -8.730   4.841
  226    HA   ILE  31           HA       ILE  31 -12.061 -10.147   6.972
  227    HB   ILE  31           HB       ILE  31 -11.958 -10.836   4.032
  228   1HG1  ILE  31          1HG1      ILE  31 -12.815  -8.554   4.386
  229   2HG1  ILE  31          2HG1      ILE  31 -14.078  -9.638   3.817
  230   1HG2  ILE  31          1HG2      ILE  31 -13.828 -11.671   6.243
  231   2HG2  ILE  31          2HG2      ILE  31 -12.710 -12.697   5.343
  232   3HG2  ILE  31          3HG2      ILE  31 -14.106 -11.988   4.530
  233   1HD1  ILE  31          1HD1      ILE  31 -14.870  -8.128   5.563
  234   2HD1  ILE  31          2HD1      ILE  31 -13.669  -8.787   6.674
  235   3HD1  ILE  31          3HD1      ILE  31 -14.965  -9.816   6.066
  236    H    ALA  32           H        ALA  32  -9.025 -10.208   5.662
  237    HA   ALA  32           HA       ALA  32  -8.289 -12.795   5.210
  238   1HB   ALA  32          1HB       ALA  32  -6.688 -10.754   6.745
  239   2HB   ALA  32          2HB       ALA  32  -6.775 -10.888   4.987
  240   3HB   ALA  32          3HB       ALA  32  -6.048 -12.184   5.937
  241    H    THR  33           H        THR  33  -8.219 -11.210   8.417
  242    HA   THR  33           HA       THR  33  -8.933 -13.733   9.664
  243    HB   THR  33           HB       THR  33  -6.528 -13.966   9.602
  244    HG1  THR  33           1HG      THR  33  -7.533 -14.657  11.521
  245   1HG2  THR  33          1HG2      THR  33  -5.043 -12.348  10.690
  246   2HG2  THR  33          2HG2      THR  33  -6.421 -11.299  11.018
  247   3HG2  THR  33          3HG2      THR  33  -5.922 -11.605   9.354
  248    H    ASN  34           H        ASN  34  -8.185 -10.321   9.961
  249    HA   ASN  34           HA       ASN  34  -8.771  -8.716  11.468
  250   1HB   ASN  34          1HB       ASN  34 -11.162  -8.542  11.872
  251   2HB   ASN  34          2HB       ASN  34 -10.867  -9.055  10.214
  252   1HD2  ASN  34          1HD2      ASN  34 -11.961 -10.047  13.372
  253   2HD2  ASN  34          2HD2      ASN  34 -12.775 -11.481  12.855
  254    H    ILE  35           H        ILE  35  -7.648 -11.219  12.640
  255    HA   ILE  35           HA       ILE  35  -8.508 -10.689  15.392
  256    HB   ILE  35           HB       ILE  35  -8.210 -13.454  14.213
  257   1HG1  ILE  35          1HG1      ILE  35 -10.604 -12.180  15.549
  258   2HG1  ILE  35          2HG1      ILE  35 -10.374 -12.226  13.804
  259   1HG2  ILE  35          1HG2      ILE  35  -8.777 -14.261  16.475
  260   2HG2  ILE  35          2HG2      ILE  35  -8.670 -12.603  17.070
  261   3HG2  ILE  35          3HG2      ILE  35  -7.237 -13.405  16.427
  262   1HD1  ILE  35          1HD1      ILE  35 -10.613 -14.618  15.614
  263   2HD1  ILE  35          2HD1      ILE  35 -10.396 -14.663  13.864
  264   3HD1  ILE  35          3HD1      ILE  35 -11.870 -13.985  14.552
  265    H    GLN  36           H        GLN  36  -6.070 -12.000  13.207
  266    HA   GLN  36           HA       GLN  36  -4.082 -11.961  15.347
  267   1HB   GLN  36          1HB       GLN  36  -4.002 -13.066  12.538
  268   2HB   GLN  36          2HB       GLN  36  -2.586 -12.970  13.573
  269   1HG   GLN  36          1HG       GLN  36  -3.203 -15.094  14.026
  270   2HG   GLN  36          2HG       GLN  36  -4.176 -14.269  15.243
  271   1HE2  GLN  36          1HE2      GLN  36  -6.396 -14.071  14.933
  272   2HE2  GLN  36          2HE2      GLN  36  -7.253 -15.052  13.798
  273    H    ALA  37           H        ALA  37  -3.561  -9.880  15.650
  274    HA   ALA  37           HA       ALA  37  -3.247  -8.011  13.518
  275   1HB   ALA  37          1HB       ALA  37  -4.003  -7.411  15.790
  276   2HB   ALA  37          2HB       ALA  37  -2.643  -6.439  15.225
  277   3HB   ALA  37          3HB       ALA  37  -2.376  -7.743  16.385
  278    H    ALA  38           H        ALA  38  -0.892  -9.252  15.902
  279    HA   ALA  38           HA       ALA  38   1.361  -9.543  15.804
  280   1HB   ALA  38          1HB       ALA  38   0.836  -9.975  12.865
  281   2HB   ALA  38          2HB       ALA  38   0.730 -11.207  14.121
  282   3HB   ALA  38          3HB       ALA  38   2.285 -10.462  13.747
  283    H    LYS  39           H        LYS  39   1.344  -8.290  12.523
  284    HA   LYS  39           HA       LYS  39   2.922  -5.997  13.460
  285   1HB   LYS  39          1HB       LYS  39   3.557  -7.788  11.554
  286   2HB   LYS  39          2HB       LYS  39   2.717  -6.602  10.565
  287   1HG   LYS  39          1HG       LYS  39   5.074  -6.039  12.354
  288   2HG   LYS  39          2HG       LYS  39   5.126  -6.220  10.599
  289   1HD   LYS  39          1HD       LYS  39   3.540  -4.295  10.434
  290   2HD   LYS  39          2HD       LYS  39   3.712  -4.071  12.175
  291   1HE   LYS  39          1HE       LYS  39   5.884  -3.879  10.093
  292   2HE   LYS  39          2HE       LYS  39   5.190  -2.555  11.029
  293   1HZ   LYS  39          1HZ       LYS  39   6.759  -4.825  12.129
  294   2HZ   LYS  39          2HZ       LYS  39   6.077  -3.575  13.042
  295   3HZ   LYS  39          3HZ       LYS  39   7.312  -3.237  11.936
  296    H    ASN  40           H        ASN  40   0.588  -6.706  10.868
  297    HA   ASN  40           HA       ASN  40  -0.635  -4.072  11.360
  298   1HB   ASN  40          1HB       ASN  40  -1.173  -4.599   8.709
  299   2HB   ASN  40          2HB       ASN  40   0.087  -3.522   9.305
  300   1HD2  ASN  40          1HD2      ASN  40  -0.616  -6.714   8.093
  301   2HD2  ASN  40          2HD2      ASN  40   1.010  -7.132   7.687
  302    H    GLY  41           H        GLY  41  -1.081  -7.446  10.879
  303   1HA   GLY  41          1HA       GLY  41  -3.111  -8.439  11.750
  304   2HA   GLY  41          2HA       GLY  41  -3.997  -7.069  11.102
  305    H    ALA  42           H        ALA  42  -2.129  -7.396   8.645
  306    HA   ALA  42           HA       ALA  42  -3.929  -9.174   7.223
  307   1HB   ALA  42          1HB       ALA  42  -1.592  -7.648   6.101
  308   2HB   ALA  42          2HB       ALA  42  -3.200  -6.955   6.314
  309   3HB   ALA  42          3HB       ALA  42  -2.965  -8.320   5.222
  310    H    ASP  43           H        ASP  43  -1.266  -9.633   9.032
  311    HA   ASP  43           HA       ASP  43   0.145 -11.382   9.340
  312   1HB   ASP  43          1HB       ASP  43  -1.821 -12.766   8.629
  313   2HB   ASP  43          2HB       ASP  43  -1.208 -12.699   6.979
  314    H    MET  44           H        MET  44   0.081  -9.435   6.704
  315    HA   MET  44           HA       MET  44   1.603  -8.739   5.180
  316   1HB   MET  44          1HB       MET  44   3.678  -8.514   6.002
  317   2HB   MET  44          2HB       MET  44   3.041  -9.304   7.435
  318   1HG   MET  44          1HG       MET  44   3.813 -11.470   6.538
  319   2HG   MET  44          2HG       MET  44   4.523 -10.619   5.167
  320   1HE   MET  44          1HE       MET  44   6.857 -11.772   5.695
  321   2HE   MET  44          2HE       MET  44   6.164 -12.602   7.088
  322   3HE   MET  44          3HE       MET  44   7.662 -11.687   7.262
  323    H    SER  45           H        SER  45   0.687 -11.906   5.419
  324    HA   SER  45           HA       SER  45   2.436 -13.038   3.438
  325   1HB   SER  45          1HB       SER  45   0.903 -14.977   3.528
  326   2HB   SER  45          2HB       SER  45   1.425 -14.477   5.136
  327    HG   SER  45           HG       SER  45  -0.758 -14.764   5.252
  328    H    GLN  46           H        GLN  46  -1.067 -12.322   3.456
  329    HA   GLN  46           HA       GLN  46  -1.077 -12.386   0.556
  330   1HB   GLN  46          1HB       GLN  46  -3.267 -12.119   2.597
  331   2HB   GLN  46          2HB       GLN  46  -3.557 -11.934   0.872
  332   1HG   GLN  46          1HG       GLN  46  -2.688 -14.376   2.373
  333   2HG   GLN  46          2HG       GLN  46  -4.108 -14.147   1.357
  334   1HE2  GLN  46          1HE2      GLN  46  -2.633 -12.818  -0.769
  335   2HE2  GLN  46          2HE2      GLN  46  -1.711 -14.042  -1.571
  336    H    LEU  47           H        LEU  47  -0.659 -10.084   2.991
  337    HA   LEU  47           HA       LEU  47  -1.911  -7.827   1.892
  338   1HB   LEU  47          1HB       LEU  47  -0.650  -8.206   4.177
  339   2HB   LEU  47          2HB       LEU  47   0.736  -7.620   3.284
  340    HG   LEU  47           HG       LEU  47  -1.834  -6.087   3.698
  341   1HD1  LEU  47          1HD1      LEU  47   0.882  -5.704   4.950
  342   2HD1  LEU  47          2HD1      LEU  47  -0.536  -6.365   5.764
  343   3HD1  LEU  47          3HD1      LEU  47  -0.539  -4.694   5.205
  344   1HD2  LEU  47          1HD2      LEU  47  -0.802  -5.433   1.631
  345   2HD2  LEU  47          2HD2      LEU  47   0.776  -5.325   2.401
  346   3HD2  LEU  47          3HD2      LEU  47  -0.495  -4.182   2.833
  347    H    GLY  48           H        GLY  48   1.294  -9.208   1.369
  348   1HA   GLY  48          1HA       GLY  48   2.140  -7.169  -0.441
  349   2HA   GLY  48          2HA       GLY  48   2.910  -8.732  -0.197
  350    H    CYS  49           H        CYS  49  -0.356  -9.112  -0.844
  351    HA   CYS  49           HA       CYS  49   0.027  -9.286  -3.736
  352   1HB   CYS  49          1HB       CYS  49  -0.458 -11.510  -1.872
  353   2HB   CYS  49          2HB       CYS  49  -1.478 -11.494  -3.304
  354    H    LEU  50           H        LEU  50  -2.548 -10.502  -1.652
  355    HA   LEU  50           HA       LEU  50  -4.692  -9.627  -3.121
  356   1HB   LEU  50          1HB       LEU  50  -4.670 -11.130  -1.078
  357   2HB   LEU  50          2HB       LEU  50  -4.616  -9.680  -0.105
  358    HG   LEU  50           HG       LEU  50  -6.885 -10.731  -0.337
  359   1HD1  LEU  50          1HD1      LEU  50  -6.645  -7.908  -1.366
  360   2HD1  LEU  50          2HD1      LEU  50  -6.587  -8.389   0.329
  361   3HD1  LEU  50          3HD1      LEU  50  -8.060  -8.633  -0.606
  362   1HD2  LEU  50          1HD2      LEU  50  -8.121 -10.330  -2.408
  363   2HD2  LEU  50          2HD2      LEU  50  -6.743 -11.396  -2.672
  364   3HD2  LEU  50          3HD2      LEU  50  -6.656  -9.707  -3.163
  365    H    LYS  51           H        LYS  51  -3.174  -7.956  -0.377
  366    HA   LYS  51           HA       LYS  51  -4.693  -5.571  -0.788
  367   1HB   LYS  51          1HB       LYS  51  -3.175  -6.565   1.280
  368   2HB   LYS  51          2HB       LYS  51  -2.142  -5.294   0.643
  369   1HG   LYS  51          1HG       LYS  51  -5.005  -4.923   1.492
  370   2HG   LYS  51          2HG       LYS  51  -3.592  -4.525   2.471
  371   1HD   LYS  51          1HD       LYS  51  -2.891  -2.864   0.889
  372   2HD   LYS  51          2HD       LYS  51  -4.147  -3.352  -0.250
  373   1HE   LYS  51          1HE       LYS  51  -5.852  -2.685   1.426
  374   2HE   LYS  51          2HE       LYS  51  -4.554  -2.085   2.456
  375   1HZ   LYS  51          1HZ       LYS  51  -3.948  -0.515   0.735
  376   2HZ   LYS  51          2HZ       LYS  51  -5.574  -0.314   1.155
  377   3HZ   LYS  51          3HZ       LYS  51  -5.164  -1.108  -0.282
  378    H    ALA  52           H        ALA  52  -1.801  -6.949  -2.080
  379    HA   ALA  52           HA       ALA  52  -0.645  -4.477  -2.997
  380   1HB   ALA  52          1HB       ALA  52  -0.065  -7.284  -3.932
  381   2HB   ALA  52          2HB       ALA  52   0.712  -6.495  -2.559
  382   3HB   ALA  52          3HB       ALA  52   0.937  -5.856  -4.187
  383    H    CYS  53           H        CYS  53  -3.266  -6.332  -3.953
  384    HA   CYS  53           HA       CYS  53  -3.181  -6.146  -6.747
  385   1HB   CYS  53          1HB       CYS  53  -4.863  -7.549  -5.957
  386   2HB   CYS  53          2HB       CYS  53  -5.392  -6.396  -4.736
  387    H    VAL  54           H        VAL  54  -4.155  -3.901  -4.249
  388    HA   VAL  54           HA       VAL  54  -5.388  -1.954  -5.856
  389    HB   VAL  54           HB       VAL  54  -3.787  -1.444  -3.340
  390   1HG1  VAL  54          1HG1      VAL  54  -5.287   0.483  -3.081
  391   2HG1  VAL  54          2HG1      VAL  54  -6.035   0.100  -4.633
  392   3HG1  VAL  54          3HG1      VAL  54  -4.338   0.580  -4.565
  393   1HG2  VAL  54          1HG2      VAL  54  -5.392  -3.162  -2.857
  394   2HG2  VAL  54          2HG2      VAL  54  -6.668  -2.267  -3.682
  395   3HG2  VAL  54          3HG2      VAL  54  -5.983  -1.644  -2.181
  396    H    MET  55           H        MET  55  -2.060  -2.737  -5.257
  397    HA   MET  55           HA       MET  55  -0.868  -0.341  -6.155
  398   1HB   MET  55          1HB       MET  55   0.322  -3.099  -6.413
  399   2HB   MET  55          2HB       MET  55   1.171  -1.579  -6.252
  400   1HG   MET  55          1HG       MET  55   0.332  -1.340  -3.971
  401   2HG   MET  55          2HG       MET  55  -0.511  -2.881  -4.129
  402   1HE   MET  55          1HE       MET  55   0.635  -3.686  -1.918
  403   2HE   MET  55          2HE       MET  55   1.609  -2.227  -1.738
  404   3HE   MET  55          3HE       MET  55   2.377  -3.813  -1.675
  405    H    LYS  56           H        LYS  56  -1.567  -3.407  -7.797
  406    HA   LYS  56           HA       LYS  56  -0.628  -2.632 -10.339
  407   1HB   LYS  56          1HB       LYS  56  -2.827  -4.633  -9.816
  408   2HB   LYS  56          2HB       LYS  56  -1.716  -4.591 -11.178
  409   1HG   LYS  56          1HG       LYS  56   0.143  -5.053  -9.592
  410   2HG   LYS  56          2HG       LYS  56  -1.057  -5.252  -8.318
  411   1HD   LYS  56          1HD       LYS  56  -1.258  -6.810 -10.862
  412   2HD   LYS  56          2HD       LYS  56  -0.167  -7.333  -9.579
  413   1HE   LYS  56          1HE       LYS  56  -2.143  -8.484  -9.166
  414   2HE   LYS  56          2HE       LYS  56  -2.185  -7.141  -8.030
  415   1HZ   LYS  56          1HZ       LYS  56  -4.317  -7.503  -9.161
  416   2HZ   LYS  56          2HZ       LYS  56  -3.583  -7.182 -10.651
  417   3HZ   LYS  56          3HZ       LYS  56  -3.681  -5.968  -9.477
  418    H    ARG  57           H        ARG  57  -3.608  -2.058  -8.657
  419    HA   ARG  57           HA       ARG  57  -5.186  -1.386 -10.930
  420   1HB   ARG  57          1HB       ARG  57  -5.519  -0.686  -8.009
  421   2HB   ARG  57          2HB       ARG  57  -6.725  -0.374  -9.250
  422   1HG   ARG  57          1HG       ARG  57  -5.712  -3.150  -8.943
  423   2HG   ARG  57          2HG       ARG  57  -6.822  -2.521  -7.725
  424   1HD   ARG  57          1HD       ARG  57  -7.929  -3.745  -9.599
  425   2HD   ARG  57          2HD       ARG  57  -8.501  -2.094  -9.374
  426    HE   ARG  57           HE       ARG  57  -6.450  -2.653 -11.396
  427   1HH1  ARG  57          1HH1      ARG  57  -9.685  -1.650 -10.571
  428   2HH1  ARG  57          2HH1      ARG  57 -10.038  -1.042 -12.153
  429   1HH2  ARG  57          1HH2      ARG  57  -6.910  -1.856 -13.484
  430   2HH2  ARG  57          2HH2      ARG  57  -8.462  -1.161 -13.809
  431    H    ILE  58           H        ILE  58  -2.974   0.387  -8.877
  432    HA   ILE  58           HA       ILE  58  -3.747   2.915 -10.129
  433    HB   ILE  58           HB       ILE  58  -2.272   4.004  -8.522
  434   1HG1  ILE  58          1HG1      ILE  58  -1.734   1.239  -7.416
  435   2HG1  ILE  58          2HG1      ILE  58  -0.594   2.153  -8.398
  436   1HG2  ILE  58          1HG2      ILE  58  -4.577   3.565  -7.878
  437   2HG2  ILE  58          2HG2      ILE  58  -3.510   3.458  -6.478
  438   3HG2  ILE  58          3HG2      ILE  58  -4.114   1.988  -7.240
  439   1HD1  ILE  58          1HD1      ILE  58  -0.061   2.317  -6.036
  440   2HD1  ILE  58          2HD1      ILE  58  -1.663   2.978  -5.707
  441   3HD1  ILE  58          3HD1      ILE  58  -0.517   3.891  -6.689
  442    H    GLU  59           H        GLU  59  -2.107   0.560 -11.284
  443    HA   GLU  59           HA       GLU  59  -0.408   0.269 -12.765
  444   1HB   GLU  59          1HB       GLU  59  -0.581   3.278 -12.998
  445   2HB   GLU  59          2HB       GLU  59   0.247   2.213 -14.125
  446   1HG   GLU  59          1HG       GLU  59  -1.880   1.135 -14.667
  447   2HG   GLU  59          2HG       GLU  59  -2.706   2.215 -13.544
  448    H    MET  60           H        MET  60   0.432   0.232 -10.148
  449    HA   MET  60           HA       MET  60   3.059   1.559 -10.331
  450   1HB   MET  60          1HB       MET  60   3.068   2.057  -8.074
  451   2HB   MET  60          2HB       MET  60   1.375   2.295  -8.472
  452   1HG   MET  60          1HG       MET  60   1.134   1.078  -6.586
  453   2HG   MET  60          2HG       MET  60   1.236  -0.243  -7.747
  454   1HE   MET  60          1HE       MET  60   4.113   2.110  -6.424
  455   2HE   MET  60          2HE       MET  60   4.737   1.150  -5.082
  456   3HE   MET  60          3HE       MET  60   3.110   1.826  -5.002
  457    H    LEU  61           H        LEU  61   1.418  -1.326 -10.334
  458    HA   LEU  61           HA       LEU  61   3.884  -2.814  -9.844
  459   1HB   LEU  61          1HB       LEU  61   2.667  -2.993  -7.764
  460   2HB   LEU  61          2HB       LEU  61   1.203  -3.448  -8.615
  461    HG   LEU  61           HG       LEU  61   2.268  -5.554  -9.320
  462   1HD1  LEU  61          1HD1      LEU  61   4.589  -4.805  -9.356
  463   2HD1  LEU  61          2HD1      LEU  61   4.399  -6.233  -8.339
  464   3HD1  LEU  61          3HD1      LEU  61   4.572  -4.641  -7.601
  465   1HD2  LEU  61          1HD2      LEU  61   2.277  -6.633  -7.131
  466   2HD2  LEU  61          2HD2      LEU  61   0.945  -5.484  -7.269
  467   3HD2  LEU  61          3HD2      LEU  61   2.389  -5.058  -6.347
  468    H    LYS  62           H        LYS  62   4.199  -3.403 -11.923
  469    HA   LYS  62           HA       LYS  62   1.974  -4.533 -13.439
  470   1HB   LYS  62          1HB       LYS  62   4.803  -3.968 -14.342
  471   2HB   LYS  62          2HB       LYS  62   3.438  -4.378 -15.370
  472   1HG   LYS  62          1HG       LYS  62   3.786  -1.865 -13.759
  473   2HG   LYS  62          2HG       LYS  62   3.871  -2.025 -15.514
  474   1HD   LYS  62          1HD       LYS  62   1.433  -2.538 -13.810
  475   2HD   LYS  62          2HD       LYS  62   1.725  -1.105 -14.789
  476   1HE   LYS  62          1HE       LYS  62   1.726  -2.448 -16.808
  477   2HE   LYS  62          2HE       LYS  62   1.518  -3.915 -15.853
  478   1HZ   LYS  62          1HZ       LYS  62  -0.572  -3.158 -16.806
  479   2HZ   LYS  62          2HZ       LYS  62  -0.425  -1.674 -16.008
  480   3HZ   LYS  62          3HZ       LYS  62  -0.625  -3.097 -15.116
  481    H    GLY  63           H        GLY  63   1.884  -6.430 -12.052
  482   1HA   GLY  63          1HA       GLY  63   2.183  -8.722 -11.916
  483   2HA   GLY  63          2HA       GLY  63   3.435  -8.590 -13.145
  484    H    THR  64           H        THR  64   5.429  -7.328 -12.280
  485    HA   THR  64           HA       THR  64   6.029  -7.913  -9.502
  486    HB   THR  64           HB       THR  64   8.154  -9.051 -10.082
  487    HG1  THR  64           1HG      THR  64   7.471  -9.842 -12.572
  488   1HG2  THR  64          1HG2      THR  64   6.167 -10.377  -9.494
  489   2HG2  THR  64          2HG2      THR  64   7.192 -11.217 -10.658
  490   3HG2  THR  64          3HG2      THR  64   5.708 -10.430 -11.195
  491    H    GLU  65           H        GLU  65   5.834  -5.636 -11.596
  492    HA   GLU  65           HA       GLU  65   8.507  -4.475 -11.171
  493   1HB   GLU  65          1HB       GLU  65   7.181  -4.704 -13.495
  494   2HB   GLU  65          2HB       GLU  65   6.566  -3.142 -12.970
  495   1HG   GLU  65          1HG       GLU  65   9.454  -3.897 -13.370
  496   2HG   GLU  65          2HG       GLU  65   8.485  -2.850 -14.403
  497    H    LEU  66           H        LEU  66   8.591  -3.224  -9.420
  498    HA   LEU  66           HA       LEU  66   6.246  -1.814  -8.472
  499   1HB   LEU  66          1HB       LEU  66   9.087  -1.857  -7.446
  500   2HB   LEU  66          2HB       LEU  66   7.757  -1.018  -6.668
  501    HG   LEU  66           HG       LEU  66   7.869  -4.003  -7.100
  502   1HD1  LEU  66          1HD1      LEU  66   8.269  -4.107  -4.673
  503   2HD1  LEU  66          2HD1      LEU  66   8.427  -2.350  -4.641
  504   3HD1  LEU  66          3HD1      LEU  66   9.588  -3.323  -5.542
  505   1HD2  LEU  66          1HD2      LEU  66   5.602  -3.175  -6.995
  506   2HD2  LEU  66          2HD2      LEU  66   5.977  -2.242  -5.547
  507   3HD2  LEU  66          3HD2      LEU  66   5.996  -4.003  -5.489
  508    H    TYR  67           H        TYR  67   5.879   0.348  -8.549
  509    HA   TYR  67           HA       TYR  67   7.758   1.937 -10.164
  510   1HB   TYR  67          1HB       TYR  67   4.758   2.019  -9.921
  511   2HB   TYR  67          2HB       TYR  67   5.662   3.394 -10.547
  512    HD1  TYR  67           1HD      TYR  67   5.781  -0.313 -11.060
  513    HD2  TYR  67           2HD      TYR  67   5.572   3.541 -12.850
  514    HE1  TYR  67           1HE      TYR  67   5.790  -1.352 -13.289
  515    HE2  TYR  67           2HE      TYR  67   5.580   2.514 -15.083
  516    HH   TYR  67           HH       TYR  67   6.311   0.402 -16.136
  517    H    VAL  68           H        VAL  68   6.940   4.465  -9.662
  518    HA   VAL  68           HA       VAL  68   6.820   4.853  -6.784
  519    HB   VAL  68           HB       VAL  68   9.239   4.577  -7.354
  520   1HG1  VAL  68          1HG1      VAL  68  10.377   6.396  -8.534
  521   2HG1  VAL  68          2HG1      VAL  68   8.819   7.151  -8.872
  522   3HG1  VAL  68          3HG1      VAL  68   9.210   5.580  -9.573
  523   1HG2  VAL  68          1HG2      VAL  68   8.416   7.295  -6.340
  524   2HG2  VAL  68          2HG2      VAL  68   9.988   6.536  -6.091
  525   3HG2  VAL  68          3HG2      VAL  68   8.541   5.819  -5.380
  526    H    GLU  69           H        GLU  69   6.304   5.903  -9.974
  527    HA   GLU  69           HA       GLU  69   5.958   8.686  -9.453
  528   1HB   GLU  69          1HB       GLU  69   4.999   6.974 -11.748
  529   2HB   GLU  69          2HB       GLU  69   4.871   8.727 -11.693
  530   1HG   GLU  69          1HG       GLU  69   7.320   8.878 -11.534
  531   2HG   GLU  69          2HG       GLU  69   7.417   7.123 -11.668
  532    HA   PRO  70           HA       PRO  70   1.179   7.348  -9.619
  533   1HB   PRO  70          1HB       PRO  70   1.556   4.807  -8.116
  534   2HB   PRO  70          2HB       PRO  70   0.391   5.203  -9.385
  535   1HG   PRO  70          1HG       PRO  70   2.509   3.670  -9.899
  536   2HG   PRO  70          2HG       PRO  70   1.922   4.851 -11.085
  537   1HD   PRO  70          1HD       PRO  70   4.302   4.977  -9.296
  538   2HD   PRO  70          2HD       PRO  70   4.091   5.604 -10.942
  539    H    VAL  71           H        VAL  71   3.069   5.986  -6.914
  540    HA   VAL  71           HA       VAL  71   1.385   6.771  -4.843
  541    HB   VAL  71           HB       VAL  71   4.393   6.630  -4.643
  542   1HG1  VAL  71          1HG1      VAL  71   3.975   5.980  -2.342
  543   2HG1  VAL  71          2HG1      VAL  71   2.235   6.076  -2.610
  544   3HG1  VAL  71          3HG1      VAL  71   3.222   7.536  -2.683
  545   1HG2  VAL  71          1HG2      VAL  71   2.377   4.389  -4.508
  546   2HG2  VAL  71          2HG2      VAL  71   4.094   4.247  -4.131
  547   3HG2  VAL  71          3HG2      VAL  71   3.583   4.637  -5.772
  548    H    TYR  72           H        TYR  72   4.106   8.541  -6.288
  549    HA   TYR  72           HA       TYR  72   4.165  10.703  -4.545
  550   1HB   TYR  72          1HB       TYR  72   4.847  10.442  -7.462
  551   2HB   TYR  72          2HB       TYR  72   5.003  11.981  -6.629
  552    HD1  TYR  72           1HD      TYR  72   7.410  11.921  -7.234
  553    HD2  TYR  72           2HD      TYR  72   5.682   8.984  -4.682
  554    HE1  TYR  72           1HE      TYR  72   9.652  11.286  -6.453
  555    HE2  TYR  72           2HE      TYR  72   7.921   8.346  -3.895
  556    HH   TYR  72           HH       TYR  72  10.243   8.462  -4.657
  557    H    LYS  73           H        LYS  73   1.841   9.877  -6.955
  558    HA   LYS  73           HA       LYS  73   0.700  12.535  -7.088
  559   1HB   LYS  73          1HB       LYS  73   0.706  11.056  -9.069
  560   2HB   LYS  73          2HB       LYS  73  -0.336   9.928  -8.214
  561   1HG   LYS  73          1HG       LYS  73  -1.686  11.219  -9.693
  562   2HG   LYS  73          2HG       LYS  73  -2.044  11.725  -8.041
  563   1HD   LYS  73          1HD       LYS  73  -0.356  13.589  -8.405
  564   2HD   LYS  73          2HD       LYS  73  -0.403  13.160 -10.115
  565   1HE   LYS  73          1HE       LYS  73  -2.731  14.048  -8.418
  566   2HE   LYS  73          2HE       LYS  73  -1.924  14.994  -9.667
  567   1HZ   LYS  73          1HZ       LYS  73  -2.657  13.402 -11.316
  568   2HZ   LYS  73          2HZ       LYS  73  -3.988  14.007 -10.466
  569   3HZ   LYS  73          3HZ       LYS  73  -3.401  12.457 -10.125
  570    H    MET  74           H        MET  74   0.039   9.474  -5.485
  571    HA   MET  74           HA       MET  74  -2.571  10.170  -4.590
  572   1HB   MET  74          1HB       MET  74  -0.809   8.165  -3.213
  573   2HB   MET  74          2HB       MET  74  -2.554   8.142  -3.417
  574   1HG   MET  74          1HG       MET  74  -2.108   7.868  -5.899
  575   2HG   MET  74          2HG       MET  74  -0.436   7.546  -5.450
  576   1HE   MET  74          1HE       MET  74  -0.757   4.313  -3.287
  577   2HE   MET  74          2HE       MET  74  -0.671   5.991  -2.756
  578   3HE   MET  74          3HE       MET  74   0.361   5.431  -4.072
  579    H    ILE  75           H        ILE  75   0.610  10.041  -3.018
  580    HA   ILE  75           HA       ILE  75  -0.055  10.848  -0.480
  581    HB   ILE  75           HB       ILE  75   2.407  11.703  -2.009
  582   1HG1  ILE  75          1HG1      ILE  75   1.994   9.289  -0.233
  583   2HG1  ILE  75          2HG1      ILE  75   1.978   9.240  -1.991
  584   1HG2  ILE  75          1HG2      ILE  75   1.956  11.446   0.961
  585   2HG2  ILE  75          2HG2      ILE  75   2.053  12.962   0.067
  586   3HG2  ILE  75          3HG2      ILE  75   3.462  11.908   0.170
  587   1HD1  ILE  75          1HD1      ILE  75   4.116   8.511  -1.120
  588   2HD1  ILE  75          2HD1      ILE  75   4.307  10.043  -0.264
  589   3HD1  ILE  75          3HD1      ILE  75   4.296  10.014  -2.028
  590    H    GLU  76           H        GLU  76  -0.173  12.717  -3.380
  591    HA   GLU  76           HA       GLU  76   0.086  15.302  -2.269
  592   1HB   GLU  76          1HB       GLU  76  -1.278  14.307  -4.765
  593   2HB   GLU  76          2HB       GLU  76  -1.216  16.013  -4.339
  594   1HG   GLU  76          1HG       GLU  76   1.263  15.845  -4.298
  595   2HG   GLU  76          2HG       GLU  76   1.113  14.196  -4.903
  596    H    VAL  77           H        VAL  77  -2.901  13.596  -3.263
  597    HA   VAL  77           HA       VAL  77  -4.520  15.468  -1.757
  598    HB   VAL  77           HB       VAL  77  -5.372  12.964  -3.223
  599   1HG1  VAL  77          1HG1      VAL  77  -7.601  13.997  -3.198
  600   2HG1  VAL  77          2HG1      VAL  77  -6.966  15.315  -2.213
  601   3HG1  VAL  77          3HG1      VAL  77  -7.001  13.674  -1.570
  602   1HG2  VAL  77          1HG2      VAL  77  -4.300  14.544  -4.737
  603   2HG2  VAL  77          2HG2      VAL  77  -5.352  15.834  -4.152
  604   3HG2  VAL  77          3HG2      VAL  77  -6.037  14.470  -5.038
  605    H    VAL  78           H        VAL  78  -3.356  12.199  -1.474
  606    HA   VAL  78           HA       VAL  78  -4.992  11.276   0.598
  607    HB   VAL  78           HB       VAL  78  -2.210  10.508  -0.302
  608   1HG1  VAL  78          1HG1      VAL  78  -2.369   8.529   1.149
  609   2HG1  VAL  78          2HG1      VAL  78  -3.844   9.172   1.865
  610   3HG1  VAL  78          3HG1      VAL  78  -2.316  10.018   2.090
  611   1HG2  VAL  78          1HG2      VAL  78  -3.352   8.499  -1.094
  612   2HG2  VAL  78          2HG2      VAL  78  -4.060   9.959  -1.786
  613   3HG2  VAL  78          3HG2      VAL  78  -4.881   9.117  -0.472
  614    H    HIS  79           H        HIS  79  -2.697  13.727   0.617
  615    HA   HIS  79           HA       HIS  79  -2.732  13.816   3.536
  616   1HB   HIS  79          1HB       HIS  79  -0.251  14.058   1.828
  617   2HB   HIS  79          2HB       HIS  79  -0.326  14.562   3.512
  618    HD1  HIS  79           1HD      HIS  79  -0.357  12.718   5.302
  619    HD2  HIS  79           2HD      HIS  79  -0.201  11.282   1.406
  620    HE1  HIS  79           1HE      HIS  79   0.205  10.277   5.509
  621    HE2  HIS  79           2HE      HIS  79   0.371   9.445   3.136
  622    H    ALA  80           H        ALA  80  -4.444  15.300   2.204
  623    HA   ALA  80           HA       ALA  80  -3.455  17.815   1.313
  624   1HB   ALA  80          1HB       ALA  80  -5.790  18.512   1.305
  625   2HB   ALA  80          2HB       ALA  80  -6.236  17.068   2.211
  626   3HB   ALA  80          3HB       ALA  80  -5.607  16.919   0.571
  627    H    GLY  81           H        GLY  81  -2.417  19.159   2.639
  628   1HA   GLY  81          1HA       GLY  81  -3.574  20.625   4.639
  629   2HA   GLY  81          2HA       GLY  81  -2.898  19.229   5.468
  630    H    ASN  82           H        ASN  82  -0.547  18.758   4.819
  631    HA   ASN  82           HA       ASN  82   0.915  21.310   4.870
  632   1HB   ASN  82          1HB       ASN  82   1.694  18.575   5.895
  633   2HB   ASN  82          2HB       ASN  82   2.765  19.970   5.893
  634   1HD2  ASN  82          1HD2      ASN  82   2.981  20.019   8.088
  635   2HD2  ASN  82          2HD2      ASN  82   1.704  20.497   9.146
  636    H    ALA  83           H        ALA  83   2.885  21.496   3.681
  637    HA   ALA  83           HA       ALA  83   2.742  20.206   1.106
  638   1HB   ALA  83          1HB       ALA  83   3.245  22.597   1.299
  639   2HB   ALA  83          2HB       ALA  83   4.525  21.721   0.461
  640   3HB   ALA  83          3HB       ALA  83   4.745  22.208   2.143
  641    H    ASP  84           H        ASP  84   5.119  20.306   3.770
  642    HA   ASP  84           HA       ASP  84   6.913  18.535   2.438
  643   1HB   ASP  84          1HB       ASP  84   6.817  19.154   5.393
  644   2HB   ASP  84          2HB       ASP  84   8.173  18.485   4.483
  645    H    ASP  85           H        ASP  85   4.153  18.116   4.513
  646    HA   ASP  85           HA       ASP  85   4.642  15.529   5.462
  647   1HB   ASP  85          1HB       ASP  85   2.722  16.973   6.167
  648   2HB   ASP  85          2HB       ASP  85   1.959  16.657   4.612
  649    H    ILE  86           H        ILE  86   3.589  16.738   2.380
  650    HA   ILE  86           HA       ILE  86   2.935  14.187   1.256
  651    HB   ILE  86           HB       ILE  86   3.519  16.846  -0.076
  652   1HG1  ILE  86          1HG1      ILE  86   0.866  15.475   0.406
  653   2HG1  ILE  86          2HG1      ILE  86   1.521  16.735   1.445
  654   1HG2  ILE  86          1HG2      ILE  86   2.345  14.318  -1.236
  655   2HG2  ILE  86          2HG2      ILE  86   3.917  15.017  -1.625
  656   3HG2  ILE  86          3HG2      ILE  86   2.438  15.873  -2.062
  657   1HD1  ILE  86          1HD1      ILE  86  -0.130  17.600  -0.130
  658   2HD1  ILE  86          2HD1      ILE  86   0.870  17.050  -1.476
  659   3HD1  ILE  86          3HD1      ILE  86   1.462  18.311  -0.394
  660    H    GLN  87           H        GLN  87   5.741  16.196   1.588
  661    HA   GLN  87           HA       GLN  87   7.363  14.711  -0.268
  662   1HB   GLN  87          1HB       GLN  87   8.095  16.816   1.768
  663   2HB   GLN  87          2HB       GLN  87   9.204  16.138   0.585
  664   1HG   GLN  87          1HG       GLN  87   7.611  16.969  -1.187
  665   2HG   GLN  87          2HG       GLN  87   6.792  17.848   0.101
  666   1HE2  GLN  87          1HE2      GLN  87  10.243  17.334   0.022
  667   2HE2  GLN  87          2HE2      GLN  87  10.680  18.980  -0.267
  668    H    LEU  88           H        LEU  88   6.442  14.465   2.999
  669    HA   LEU  88           HA       LEU  88   8.727  13.101   4.009
  670   1HB   LEU  88          1HB       LEU  88   6.806  14.332   5.261
  671   2HB   LEU  88          2HB       LEU  88   5.956  12.807   5.128
  672    HG   LEU  88           HG       LEU  88   7.061  13.093   7.310
  673   1HD1  LEU  88          1HD1      LEU  88   8.116  10.926   7.425
  674   2HD1  LEU  88          2HD1      LEU  88   8.309  10.893   5.673
  675   3HD1  LEU  88          3HD1      LEU  88   6.696  10.843   6.384
  676   1HD2  LEU  88          1HD2      LEU  88   9.475  13.059   7.495
  677   2HD2  LEU  88          2HD2      LEU  88   8.959  14.441   6.527
  678   3HD2  LEU  88          3HD2      LEU  88   9.632  13.013   5.739
  679    H    VAL  89           H        VAL  89   5.436  11.910   3.300
  680    HA   VAL  89           HA       VAL  89   6.038   9.188   3.485
  681    HB   VAL  89           HB       VAL  89   3.940  10.393   1.679
  682   1HG1  VAL  89          1HG1      VAL  89   4.071   7.732   3.091
  683   2HG1  VAL  89          2HG1      VAL  89   4.327   8.001   1.367
  684   3HG1  VAL  89          3HG1      VAL  89   2.744   8.307   2.082
  685   1HG2  VAL  89          1HG2      VAL  89   3.790   9.774   4.627
  686   2HG2  VAL  89          2HG2      VAL  89   2.421  10.219   3.609
  687   3HG2  VAL  89          3HG2      VAL  89   3.727  11.373   3.884
  688    H    LYS  90           H        LYS  90   6.463  11.464   0.887
  689    HA   LYS  90           HA       LYS  90   6.763   9.711  -1.273
  690   1HB   LYS  90          1HB       LYS  90   7.272  12.500  -0.696
  691   2HB   LYS  90          2HB       LYS  90   8.539  11.830  -1.713
  692   1HG   LYS  90          1HG       LYS  90   7.111  11.427  -3.464
  693   2HG   LYS  90          2HG       LYS  90   5.692  11.328  -2.424
  694   1HD   LYS  90          1HD       LYS  90   5.416  13.594  -2.346
  695   2HD   LYS  90          2HD       LYS  90   7.132  13.918  -2.595
  696   1HE   LYS  90          1HE       LYS  90   6.909  13.243  -4.940
  697   2HE   LYS  90          2HE       LYS  90   5.193  12.931  -4.682
  698   1HZ   LYS  90          1HZ       LYS  90   6.528  15.569  -4.387
  699   2HZ   LYS  90          2HZ       LYS  90   4.879  15.267  -4.162
  700   3HZ   LYS  90          3HZ       LYS  90   5.569  15.094  -5.697
  701    H    GLY  91           H        GLY  91   8.975  10.676   1.267
  702   1HA   GLY  91          1HA       GLY  91  11.243   9.384  -0.010
  703   2HA   GLY  91          2HA       GLY  91  11.245  10.198   1.547
  704    H    ILE  92           H        ILE  92   8.816   8.618   2.341
  705    HA   ILE  92           HA       ILE  92  10.184   6.494   3.635
  706    HB   ILE  92           HB       ILE  92   7.205   6.912   3.351
  707   1HG1  ILE  92          1HG1      ILE  92   8.158   8.855   4.400
  708   2HG1  ILE  92          2HG1      ILE  92   7.399   7.883   5.652
  709   1HG2  ILE  92          1HG2      ILE  92   7.062   5.532   5.391
  710   2HG2  ILE  92          2HG2      ILE  92   8.796   5.224   5.273
  711   3HG2  ILE  92          3HG2      ILE  92   7.709   4.651   4.008
  712   1HD1  ILE  92          1HD1      ILE  92   9.508   8.750   6.427
  713   2HD1  ILE  92          2HD1      ILE  92  10.343   8.026   5.053
  714   3HD1  ILE  92          3HD1      ILE  92   9.598   6.996   6.276
  715    H    ALA  93           H        ALA  93   8.133   6.708   0.792
  716    HA   ALA  93           HA       ALA  93   7.770   3.916   0.431
  717   1HB   ALA  93          1HB       ALA  93   6.978   4.494  -1.793
  718   2HB   ALA  93          2HB       ALA  93   7.633   6.122  -1.622
  719   3HB   ALA  93          3HB       ALA  93   6.303   5.593  -0.591
  720    H    ASN  94           H        ASN  94  10.445   5.955  -0.045
  721    HA   ASN  94           HA       ASN  94  11.658   4.520  -2.208
  722   1HB   ASN  94          1HB       ASN  94  12.185   6.878  -1.792
  723   2HB   ASN  94          2HB       ASN  94  12.862   6.460  -0.221
  724   1HD2  ASN  94          1HD2      ASN  94  14.876   7.261  -0.716
  725   2HD2  ASN  94          2HD2      ASN  94  15.943   6.483  -1.830
  726    H    GLU  95           H        GLU  95  11.627   4.240   1.260
  727    HA   GLU  95           HA       GLU  95  13.969   2.651   1.524
  728   1HB   GLU  95          1HB       GLU  95  12.812   3.921   3.377
  729   2HB   GLU  95          2HB       GLU  95  11.576   2.669   3.376
  730   1HG   GLU  95          1HG       GLU  95  13.187   2.283   5.135
  731   2HG   GLU  95          2HG       GLU  95  13.269   0.999   3.931
  732    H    CYS  96           H        CYS  96  10.780   1.999   0.461
  733    HA   CYS  96           HA       CYS  96  10.905  -0.847   1.000
  734   1HB   CYS  96          1HB       CYS  96   8.850   0.904  -0.343
  735   2HB   CYS  96          2HB       CYS  96   8.695  -0.845  -0.207
  736    H    ILE  97           H        ILE  97  10.917   1.267  -1.855
  737    HA   ILE  97           HA       ILE  97  10.979  -0.732  -3.808
  738    HB   ILE  97           HB       ILE  97  12.300   1.977  -4.001
  739   1HG1  ILE  97          1HG1      ILE  97   9.446   1.228  -4.669
  740   2HG1  ILE  97          2HG1      ILE  97   9.929   2.068  -3.200
  741   1HG2  ILE  97          1HG2      ILE  97  11.805   1.753  -6.399
  742   2HG2  ILE  97          2HG2      ILE  97  11.176   0.132  -6.107
  743   3HG2  ILE  97          3HG2      ILE  97  12.881   0.480  -5.823
  744   1HD1  ILE  97          1HD1      ILE  97  10.782   3.919  -4.551
  745   2HD1  ILE  97          2HD1      ILE  97   9.068   3.623  -4.837
  746   3HD1  ILE  97          3HD1      ILE  97  10.266   3.079  -6.013
  747    H    GLU  98           H        GLU  98  13.401   0.227  -1.592
  748    HA   GLU  98           HA       GLU  98  15.574  -0.805  -3.236
  749   1HB   GLU  98          1HB       GLU  98  15.603   0.437  -0.484
  750   2HB   GLU  98          2HB       GLU  98  17.031  -0.046  -1.391
  751   1HG   GLU  98          1HG       GLU  98  16.469   1.567  -3.137
  752   2HG   GLU  98          2HG       GLU  98  15.041   2.053  -2.224
  753    H    ASN  99           H        ASN  99  13.404  -1.983  -0.899
  754    HA   ASN  99           HA       ASN  99  15.186  -4.260  -0.379
  755   1HB   ASN  99          1HB       ASN  99  14.630  -4.260   1.809
  756   2HB   ASN  99          2HB       ASN  99  14.273  -2.571   1.506
  757   1HD2  ASN  99          1HD2      ASN  99  12.138  -1.901   1.358
  758   2HD2  ASN  99          2HD2      ASN  99  10.831  -2.873   1.934
  759    H    ALA 100           H        ALA 100  12.508  -3.397  -2.097
  760    HA   ALA 100           HA       ALA 100  11.180  -5.991  -1.690
  761   1HB   ALA 100          1HB       ALA 100   9.226  -5.008  -2.756
  762   2HB   ALA 100          2HB       ALA 100  10.119  -3.514  -3.040
  763   3HB   ALA 100          3HB       ALA 100   9.758  -4.025  -1.391
  764    H    LYS 101           H        LYS 101  12.994  -4.149  -3.955
  765    HA   LYS 101           HA       LYS 101  12.200  -5.467  -6.337
  766   1HB   LYS 101          1HB       LYS 101  13.925  -4.295  -7.393
  767   2HB   LYS 101          2HB       LYS 101  13.420  -3.234  -6.083
  768   1HG   LYS 101          1HG       LYS 101  15.724  -5.132  -5.913
  769   2HG   LYS 101          2HG       LYS 101  15.887  -3.435  -6.372
  770   1HD   LYS 101          1HD       LYS 101  16.188  -3.086  -4.169
  771   2HD   LYS 101          2HD       LYS 101  14.437  -3.268  -4.063
  772   1HE   LYS 101          1HE       LYS 101  14.977  -4.833  -2.518
  773   2HE   LYS 101          2HE       LYS 101  15.169  -5.853  -3.944
  774   1HZ   LYS 101          1HZ       LYS 101  17.532  -5.354  -3.946
  775   2HZ   LYS 101          2HZ       LYS 101  17.067  -6.043  -2.472
  776   3HZ   LYS 101          3HZ       LYS 101  17.352  -4.378  -2.573
  777    H    GLY 102           H        GLY 102  14.467  -6.291  -7.587
  778   1HA   GLY 102          1HA       GLY 102  15.755  -8.158  -7.922
  779   2HA   GLY 102          2HA       GLY 102  16.223  -7.962  -6.243
  780    H    GLU 103           H        GLU 103  12.883  -8.431  -6.601
  781    HA   GLU 103           HA       GLU 103  13.191 -11.161  -5.618
  782   1HB   GLU 103          1HB       GLU 103  10.811  -9.307  -5.630
  783   2HB   GLU 103          2HB       GLU 103  10.771 -10.956  -5.022
  784   1HG   GLU 103          1HG       GLU 103  12.330  -8.631  -3.934
  785   2HG   GLU 103          2HG       GLU 103  11.008  -9.504  -3.163
  786    H    THR 104           H        THR 104  11.131 -12.571  -6.305
  787    HA   THR 104           HA       THR 104  10.742 -12.290  -9.204
  788    HB   THR 104           HB       THR 104  12.493 -13.942  -8.948
  789    HG1  THR 104           1HG      THR 104  11.551 -15.278 -10.328
  790   1HG2  THR 104          1HG2      THR 104  12.053 -14.615  -6.639
  791   2HG2  THR 104          2HG2      THR 104  12.119 -16.022  -7.699
  792   3HG2  THR 104          3HG2      THR 104  10.562 -15.408  -7.145
  793    H    ASP 105           H        ASP 105   9.458 -13.022  -6.126
  794    HA   ASP 105           HA       ASP 105   7.004 -14.108  -7.315
  795   1HB   ASP 105          1HB       ASP 105   7.962 -15.475  -5.538
  796   2HB   ASP 105          2HB       ASP 105   7.934 -14.100  -4.438
  797    H    GLU 106           H        GLU 106   5.033 -13.134  -7.031
  798    HA   GLU 106           HA       GLU 106   4.964 -10.346  -6.772
  799   1HB   GLU 106          1HB       GLU 106   3.278 -11.646  -8.006
  800   2HB   GLU 106          2HB       GLU 106   2.678 -12.303  -6.490
  801   1HG   GLU 106          1HG       GLU 106   2.026 -10.071  -5.769
  802   2HG   GLU 106          2HG       GLU 106   2.654  -9.395  -7.270
  803    H    CYS 107           H        CYS 107   3.453 -12.716  -4.554
  804    HA   CYS 107           HA       CYS 107   2.831 -10.982  -2.511
  805   1HB   CYS 107          1HB       CYS 107   3.681 -13.874  -2.311
  806   2HB   CYS 107          2HB       CYS 107   2.918 -12.966  -1.010
  807    H    ASN 108           H        ASN 108   5.944 -12.327  -3.329
  808    HA   ASN 108           HA       ASN 108   7.219 -11.673  -0.858
  809   1HB   ASN 108          1HB       ASN 108   8.045 -13.385  -2.523
  810   2HB   ASN 108          2HB       ASN 108   8.543 -12.045  -3.551
  811   1HD2  ASN 108          1HD2      ASN 108  10.127 -14.137  -2.263
  812   2HD2  ASN 108          2HD2      ASN 108  11.300 -13.318  -1.296
  813    H    ILE 109           H        ILE 109   6.985 -10.122  -4.032
  814    HA   ILE 109           HA       ILE 109   8.635  -7.908  -3.473
  815    HB   ILE 109           HB       ILE 109   6.509  -8.467  -5.507
  816   1HG1  ILE 109          1HG1      ILE 109   9.382  -7.576  -5.800
  817   2HG1  ILE 109          2HG1      ILE 109   8.872  -9.259  -5.754
  818   1HG2  ILE 109          1HG2      ILE 109   6.932  -6.220  -6.504
  819   2HG2  ILE 109          2HG2      ILE 109   7.754  -5.770  -5.010
  820   3HG2  ILE 109          3HG2      ILE 109   6.040  -6.181  -4.985
  821   1HD1  ILE 109          1HD1      ILE 109   8.025  -7.232  -7.806
  822   2HD1  ILE 109          2HD1      ILE 109   7.565  -8.934  -7.773
  823   3HD1  ILE 109          3HD1      ILE 109   9.250  -8.481  -8.030
  824    H    GLY 110           H        GLY 110   5.134  -8.388  -3.195
  825   1HA   GLY 110          1HA       GLY 110   4.538  -5.745  -2.381
  826   2HA   GLY 110          2HA       GLY 110   3.502  -7.146  -2.172
  827    H    ASN 111           H        ASN 111   5.075  -8.729  -0.503
  828    HA   ASN 111           HA       ASN 111   4.487  -7.639   2.003
  829   1HB   ASN 111          1HB       ASN 111   4.677 -10.020   1.782
  830   2HB   ASN 111          2HB       ASN 111   6.346  -9.892   1.236
  831   1HD2  ASN 111          1HD2      ASN 111   5.197  -7.878   3.829
  832   2HD2  ASN 111          2HD2      ASN 111   6.021  -8.703   5.097
  833    H    LYS 112           H        LYS 112   7.597  -7.905   0.308
  834    HA   LYS 112           HA       LYS 112   9.175  -6.698   2.289
  835   1HB   LYS 112          1HB       LYS 112   9.506  -6.810  -0.714
  836   2HB   LYS 112          2HB       LYS 112  10.746  -6.199   0.373
  837   1HG   LYS 112          1HG       LYS 112   9.600  -8.976   0.561
  838   2HG   LYS 112          2HG       LYS 112  11.036  -8.570  -0.383
  839   1HD   LYS 112          1HD       LYS 112  12.103  -7.703   1.660
  840   2HD   LYS 112          2HD       LYS 112  10.681  -8.186   2.588
  841   1HE   LYS 112          1HE       LYS 112  12.473 -10.037   1.017
  842   2HE   LYS 112          2HE       LYS 112  12.487  -9.833   2.769
  843   1HZ   LYS 112          1HZ       LYS 112  10.216 -10.649   2.848
  844   2HZ   LYS 112          2HZ       LYS 112  11.227 -11.786   2.109
  845   3HZ   LYS 112          3HZ       LYS 112  10.194 -10.835   1.165
  846    H    TYR 113           H        TYR 113   6.866  -5.421   0.126
  847    HA   TYR 113           HA       TYR 113   7.860  -2.700   0.218
  848   1HB   TYR 113          1HB       TYR 113   6.660  -3.838  -1.758
  849   2HB   TYR 113          2HB       TYR 113   5.182  -3.569  -0.844
  850    HD1  TYR 113           1HD      TYR 113   4.122  -1.467  -0.849
  851    HD2  TYR 113           2HD      TYR 113   8.056  -1.843  -2.427
  852    HE1  TYR 113           1HE      TYR 113   3.972   0.816  -1.746
  853    HE2  TYR 113           2HE      TYR 113   7.919   0.441  -3.328
  854    HH   TYR 113           HH       TYR 113   5.483   2.629  -2.432
  855    H    THR 114           H        THR 114   4.839  -4.327   1.211
  856    HA   THR 114           HA       THR 114   3.787  -2.165   2.639
  857    HB   THR 114           HB       THR 114   2.393  -4.034   1.933
  858    HG1  THR 114           1HG      THR 114   1.661  -2.819   3.712
  859   1HG2  THR 114          1HG2      THR 114   2.456  -6.174   3.110
  860   2HG2  THR 114          2HG2      THR 114   3.839  -5.624   4.055
  861   3HG2  THR 114          3HG2      THR 114   3.997  -5.852   2.315
  862    H    ASP 115           H        ASP 115   5.898  -4.789   3.607
  863    HA   ASP 115           HA       ASP 115   5.821  -4.716   6.336
  864   1HB   ASP 115          1HB       ASP 115   7.193  -6.289   5.043
  865   2HB   ASP 115          2HB       ASP 115   8.296  -4.979   4.614
  866    H    CYS 116           H        CYS 116   7.713  -2.576   4.233
  867    HA   CYS 116           HA       CYS 116   8.763  -1.133   6.504
  868   1HB   CYS 116          1HB       CYS 116   9.623   0.335   4.457
  869   2HB   CYS 116          2HB       CYS 116  10.392  -1.185   4.908
  870    H    TYR 117           H        TYR 117   6.438  -0.518   3.893
  871    HA   TYR 117           HA       TYR 117   6.035   2.196   4.330
  872   1HB   TYR 117          1HB       TYR 117   4.912   0.297   2.677
  873   2HB   TYR 117          2HB       TYR 117   3.560   0.762   3.707
  874    HD1  TYR 117           1HD      TYR 117   3.505   3.466   4.095
  875    HD2  TYR 117           2HD      TYR 117   5.080   1.449   0.695
  876    HE1  TYR 117           1HE      TYR 117   3.153   5.487   2.739
  877    HE2  TYR 117           2HE      TYR 117   4.733   3.466  -0.669
  878    HH   TYR 117           HH       TYR 117   4.034   6.496   0.677
  879    H    ILE 118           H        ILE 118   4.752  -0.581   6.039
  880    HA   ILE 118           HA       ILE 118   3.001   1.029   7.693
  881    HB   ILE 118           HB       ILE 118   3.751  -1.884   7.996
  882   1HG1  ILE 118          1HG1      ILE 118   1.323  -0.669   6.657
  883   2HG1  ILE 118          2HG1      ILE 118   2.699  -1.357   5.801
  884   1HG2  ILE 118          1HG2      ILE 118   1.670  -2.020   9.305
  885   2HG2  ILE 118          2HG2      ILE 118   1.478  -0.274   9.153
  886   3HG2  ILE 118          3HG2      ILE 118   2.854  -0.936  10.036
  887   1HD1  ILE 118          1HD1      ILE 118   0.868  -2.926   5.866
  888   2HD1  ILE 118          2HD1      ILE 118   0.816  -2.831   7.626
  889   3HD1  ILE 118          3HD1      ILE 118   2.219  -3.534   6.821
  890    H    GLU 119           H        GLU 119   6.253   0.025   7.682
  891    HA   GLU 119           HA       GLU 119   6.678  -0.028  10.504
  892   1HB   GLU 119          1HB       GLU 119   8.130  -1.229   8.916
  893   2HB   GLU 119          2HB       GLU 119   8.675   0.309   8.262
  894   1HG   GLU 119          1HG       GLU 119   9.733   0.886  10.328
  895   2HG   GLU 119          2HG       GLU 119   9.044  -0.526  11.129
  896    H    LYS 120           H        LYS 120   7.636   2.350   7.994
  897    HA   LYS 120           HA       LYS 120   8.320   4.266  10.054
  898   1HB   LYS 120          1HB       LYS 120   8.373   4.465   7.044
  899   2HB   LYS 120          2HB       LYS 120   8.914   5.736   8.130
  900   1HG   LYS 120          1HG       LYS 120  10.873   4.660   7.506
  901   2HG   LYS 120          2HG       LYS 120  10.506   3.971   9.089
  902   1HD   LYS 120          1HD       LYS 120   9.645   1.976   8.102
  903   2HD   LYS 120          2HD       LYS 120   9.703   2.683   6.485
  904   1HE   LYS 120          1HE       LYS 120  11.550   1.107   6.887
  905   2HE   LYS 120          2HE       LYS 120  12.121   2.742   6.562
  906   1HZ   LYS 120          1HZ       LYS 120  12.438   3.068   8.932
  907   2HZ   LYS 120          2HZ       LYS 120  13.317   1.724   8.399
  908   3HZ   LYS 120          3HZ       LYS 120  11.873   1.504   9.252
  909    H    LEU 121           H        LEU 121   5.903   4.110   7.422
  910    HA   LEU 121           HA       LEU 121   4.630   6.507   8.529
  911   1HB   LEU 121          1HB       LEU 121   5.187   5.814   5.954
  912   2HB   LEU 121          2HB       LEU 121   3.512   5.320   6.084
  913    HG   LEU 121           HG       LEU 121   3.692   7.563   5.171
  914   1HD1  LEU 121          1HD1      LEU 121   1.735   7.026   6.519
  915   2HD1  LEU 121          2HD1      LEU 121   2.177   8.727   6.668
  916   3HD1  LEU 121          3HD1      LEU 121   2.571   7.598   7.963
  917   1HD2  LEU 121          1HD2      LEU 121   5.037   8.271   7.773
  918   2HD2  LEU 121          2HD2      LEU 121   4.535   9.418   6.529
  919   3HD2  LEU 121          3HD2      LEU 121   5.795   8.234   6.181
  920    H    PHE 122           H        PHE 122   4.262   3.152   8.703
  921    HA   PHE 122           HA       PHE 122   2.654   1.867   9.672
  922   1HB   PHE 122          1HB       PHE 122   1.861   3.047  11.409
  923   2HB   PHE 122          2HB       PHE 122   1.885   4.554  10.502
  924    HD1  PHE 122           1HD      PHE 122  -0.108   1.578  11.330
  925    HD2  PHE 122           2HD      PHE 122  -0.079   5.416   9.490
  926    HE1  PHE 122           1HE      PHE 122  -2.568   1.552  11.237
  927    HE2  PHE 122           2HE      PHE 122  -2.532   5.397   9.397
  928    HZ   PHE 122           HZ       PHE 122  -3.781   3.417  10.207
  929    H    SER 123           H        SER 123   1.946   4.017   7.091
  930    HA   SER 123           HA       SER 123  -0.611   3.233   6.340
  931   1HB   SER 123          1HB       SER 123   0.512   5.104   5.266
  932   2HB   SER 123          2HB       SER 123   1.733   4.022   4.593
  933    HG   SER 123           HG       SER 123  -0.004   2.988   3.445
  934   1H4   TSD 124          1H4       TSP 124   0.438   0.066  -1.415
  935   2H4   TSD 124          2H4       TSP 124  -1.184  -0.524  -1.697
  936   3H4   TSD 124          3H4       TSP 124  -0.170  -1.289  -0.495
  937   1H5   TSD 124          1H5       TSP 124  -2.300   2.622  -0.649
  938   2H5   TSD 124          2H5       TSP 124  -3.280   1.726   0.489
  939   3H5   TSD 124          3H5       TSP 124  -2.986   1.082  -1.109
  940   1H6   TSD 124          1H6       TSP 124  -0.248   2.888   1.169
  941   2H6   TSD 124          2H6       TSP 124   0.777   2.277  -0.109
  942   3H6   TSD 124          3H6       TSP 124   0.875   1.587   1.494
  943   1D3   TSD 124          1D3       TSP 124  -2.243  -0.908   1.516
  944   2D3   TSD 124          2D3       TSP 124  -0.622  -0.682   2.142
  945   1D2   TSD 124          1D2       TSP 124  -2.951   1.196   2.656
  946   2D2   TSD 124          2D2       TSP 124  -1.333   1.339   3.342
  Start of MODEL   13
    1    HA   ILE   1           HA       ILE   1  -0.725  14.455  11.426
    2    HB   ILE   1           HB       ILE   1  -0.757  13.131   9.344
    3   1HG1  ILE   1          1HG1      ILE   1   1.186  11.301  10.773
    4   2HG1  ILE   1          2HG1      ILE   1  -0.495  10.903  10.438
    5   1HG2  ILE   1          1HG2      ILE   1   0.948  14.838   9.689
    6   2HG2  ILE   1          2HG2      ILE   1   1.585  13.495   8.740
    7   3HG2  ILE   1          3HG2      ILE   1   2.003  13.645  10.448
    8   1HD1  ILE   1          1HD1      ILE   1   1.643  11.444   8.391
    9   2HD1  ILE   1          2HD1      ILE   1  -0.044  11.078   8.038
   10   3HD1  ILE   1          3HD1      ILE   1   0.976   9.870   8.821
   11    H    ASP   2           H        ASP   2  -2.870  14.172  10.866
   12    HA   ASP   2           HA       ASP   2  -4.422  12.530  12.537
   13   1HB   ASP   2          1HB       ASP   2  -5.193  13.934   9.968
   14   2HB   ASP   2          2HB       ASP   2  -6.328  13.260  11.134
   15    H    GLN   3           H        GLN   3  -4.805  10.442  12.426
   16    HA   GLN   3           HA       GLN   3  -3.900   8.710  10.468
   17   1HB   GLN   3          1HB       GLN   3  -5.366   7.029  11.475
   18   2HB   GLN   3          2HB       GLN   3  -4.536   7.968  12.704
   19   1HG   GLN   3          1HG       GLN   3  -7.349   8.530  11.814
   20   2HG   GLN   3          2HG       GLN   3  -6.948   7.458  13.154
   21   1HE2  GLN   3          1HE2      GLN   3  -6.058   8.330  15.037
   22   2HE2  GLN   3          2HE2      GLN   3  -6.183  10.012  15.408
   23    H    ASP   4           H        ASP   4  -6.996  10.322  10.754
   24    HA   ASP   4           HA       ASP   4  -8.507   8.992   8.880
   25   1HB   ASP   4          1HB       ASP   4  -8.446  11.962   9.445
   26   2HB   ASP   4          2HB       ASP   4  -9.724  11.137   8.558
   27    H    THR   5           H        THR   5  -6.187  11.617   8.307
   28    HA   THR   5           HA       THR   5  -6.594  12.005   5.589
   29    HB   THR   5           HB       THR   5  -4.943  13.143   7.351
   30    HG1  THR   5           1HG      THR   5  -3.902  14.068   5.422
   31   1HG2  THR   5          1HG2      THR   5  -2.620  12.682   6.840
   32   2HG2  THR   5          2HG2      THR   5  -3.089  11.447   5.672
   33   3HG2  THR   5          3HG2      THR   5  -3.403  11.200   7.390
   34    H    VAL   6           H        VAL   6  -4.911   9.438   7.236
   35    HA   VAL   6           HA       VAL   6  -3.816   8.394   4.757
   36    HB   VAL   6           HB       VAL   6  -3.706   7.225   7.541
   37   1HG1  VAL   6          1HG1      VAL   6  -3.383   5.539   5.824
   38   2HG1  VAL   6          2HG1      VAL   6  -1.862   5.872   6.651
   39   3HG1  VAL   6          3HG1      VAL   6  -2.158   6.539   5.045
   40   1HG2  VAL   6          1HG2      VAL   6  -2.600   9.378   7.466
   41   2HG2  VAL   6          2HG2      VAL   6  -1.702   8.897   6.028
   42   3HG2  VAL   6          3HG2      VAL   6  -1.399   8.092   7.568
   43    H    VAL   7           H        VAL   7  -5.739   6.907   7.366
   44    HA   VAL   7           HA       VAL   7  -6.561   4.689   5.879
   45    HB   VAL   7           HB       VAL   7  -8.000   5.919   8.228
   46   1HG1  VAL   7          1HG1      VAL   7  -8.787   3.636   8.636
   47   2HG1  VAL   7          2HG1      VAL   7  -7.980   3.098   7.162
   48   3HG1  VAL   7          3HG1      VAL   7  -9.322   4.238   7.067
   49   1HG2  VAL   7          1HG2      VAL   7  -6.656   4.398   9.606
   50   2HG2  VAL   7          2HG2      VAL   7  -5.652   5.568   8.752
   51   3HG2  VAL   7          3HG2      VAL   7  -5.753   3.906   8.173
   52    H    ALA   8           H        ALA   8  -8.620   7.440   6.866
   53    HA   ALA   8           HA       ALA   8 -10.850   6.691   5.390
   54   1HB   ALA   8          1HB       ALA   8 -10.058   9.499   6.133
   55   2HB   ALA   8          2HB       ALA   8 -10.863   8.350   7.200
   56   3HB   ALA   8          3HB       ALA   8 -11.680   8.925   5.748
   57    H    LYS   9           H        LYS   9  -7.940   8.244   4.242
   58    HA   LYS   9           HA       LYS   9  -9.278   9.150   1.817
   59   1HB   LYS   9          1HB       LYS   9  -6.426   9.391   2.750
   60   2HB   LYS   9          2HB       LYS   9  -6.983   9.953   1.181
   61   1HG   LYS   9          1HG       LYS   9  -8.497  10.895   3.537
   62   2HG   LYS   9          2HG       LYS   9  -6.863  11.523   3.336
   63   1HD   LYS   9          1HD       LYS   9  -8.380  13.025   2.249
   64   2HD   LYS   9          2HD       LYS   9  -7.472  12.168   1.005
   65   1HE   LYS   9          1HE       LYS   9  -9.853  12.357   0.450
   66   2HE   LYS   9          2HE       LYS   9  -9.338  10.679   0.622
   67   1HZ   LYS   9          1HZ       LYS   9 -10.286  10.649   2.840
   68   2HZ   LYS   9          2HZ       LYS   9 -11.464  11.085   1.706
   69   3HZ   LYS   9          3HZ       LYS   9 -10.762  12.266   2.691
   70    H    TYR  10           H        TYR  10  -6.475   7.055   2.528
   71    HA   TYR  10           HA       TYR  10  -6.136   6.032  -0.030
   72   1HB   TYR  10          1HB       TYR  10  -5.478   4.994   2.701
   73   2HB   TYR  10          2HB       TYR  10  -5.224   3.964   1.298
   74    HD1  TYR  10           1HD      TYR  10  -3.946   5.248  -0.702
   75    HD2  TYR  10           2HD      TYR  10  -3.667   6.210   3.432
   76    HE1  TYR  10           1HE      TYR  10  -1.769   6.317  -1.104
   77    HE2  TYR  10           2HE      TYR  10  -1.490   7.285   3.040
   78    HH   TYR  10           HH       TYR  10  -0.321   7.988  -0.083
   79    H    MET  11           H        MET  11  -8.456   5.148   2.427
   80    HA   MET  11           HA       MET  11  -9.227   2.680   1.188
   81   1HB   MET  11          1HB       MET  11  -9.453   3.211   3.640
   82   2HB   MET  11          2HB       MET  11 -10.766   4.299   3.217
   83   1HG   MET  11          1HG       MET  11 -11.558   2.118   3.994
   84   2HG   MET  11          2HG       MET  11 -12.064   2.477   2.345
   85   1HE   MET  11          1HE       MET  11  -9.595   0.413   4.603
   86   2HE   MET  11          2HE       MET  11  -8.503   1.323   3.557
   87   3HE   MET  11          3HE       MET  11  -8.632  -0.429   3.388
   88    H    GLU  12           H        GLU  12 -10.778   5.865   1.519
   89    HA   GLU  12           HA       GLU  12 -12.989   5.225  -0.144
   90   1HB   GLU  12          1HB       GLU  12 -13.019   6.995   1.586
   91   2HB   GLU  12          2HB       GLU  12 -11.899   7.940   0.616
   92   1HG   GLU  12          1HG       GLU  12 -13.547   8.124  -1.153
   93   2HG   GLU  12          2HG       GLU  12 -14.664   7.112  -0.241
   94    H    TYR  13           H        TYR  13  -9.773   6.288  -0.802
   95    HA   TYR  13           HA       TYR  13 -10.155   7.612  -3.248
   96   1HB   TYR  13          1HB       TYR  13  -8.022   7.379  -1.764
   97   2HB   TYR  13          2HB       TYR  13  -7.721   5.932  -2.721
   98    HD1  TYR  13           1HD      TYR  13  -7.278   9.442  -2.529
   99    HD2  TYR  13           2HD      TYR  13  -7.737   6.252  -5.308
  100    HE1  TYR  13           1HE      TYR  13  -6.257  10.831  -4.282
  101    HE2  TYR  13           2HE      TYR  13  -6.717   7.634  -7.069
  102    HH   TYR  13           HH       TYR  13  -5.079  10.532  -6.419
  103    H    LEU  14           H        LEU  14  -9.860   4.194  -2.466
  104    HA   LEU  14           HA       LEU  14 -10.763   3.548  -5.172
  105   1HB   LEU  14          1HB       LEU  14  -8.347   2.324  -3.841
  106   2HB   LEU  14          2HB       LEU  14  -9.104   1.687  -5.286
  107    HG   LEU  14           HG       LEU  14  -7.870   4.434  -5.082
  108   1HD1  LEU  14          1HD1      LEU  14  -6.780   1.932  -6.364
  109   2HD1  LEU  14          2HD1      LEU  14  -6.197   2.652  -4.863
  110   3HD1  LEU  14          3HD1      LEU  14  -6.034   3.532  -6.383
  111   1HD2  LEU  14          1HD2      LEU  14  -9.640   4.281  -6.751
  112   2HD2  LEU  14          2HD2      LEU  14  -8.873   2.856  -7.450
  113   3HD2  LEU  14          3HD2      LEU  14  -8.060   4.419  -7.522
  114    H    MET  15           H        MET  15 -12.197   3.565  -2.738
  115    HA   MET  15           HA       MET  15 -12.352   1.173  -1.359
  116   1HB   MET  15          1HB       MET  15 -13.561   3.411  -0.957
  117   2HB   MET  15          2HB       MET  15 -14.796   2.779  -2.034
  118   1HG   MET  15          1HG       MET  15 -13.870   1.345   0.436
  119   2HG   MET  15          2HG       MET  15 -15.221   2.477   0.417
  120   1HE   MET  15          1HE       MET  15 -17.464   2.082  -0.922
  121   2HE   MET  15          2HE       MET  15 -17.762   0.683  -1.952
  122   3HE   MET  15          3HE       MET  15 -16.553   1.877  -2.417
  123    HA   PRO  16           HA       PRO  16 -15.627  -0.456  -4.526
  124   1HB   PRO  16          1HB       PRO  16 -15.708   0.675  -6.980
  125   2HB   PRO  16          2HB       PRO  16 -16.672   1.278  -5.627
  126   1HG   PRO  16          1HG       PRO  16 -14.054   2.288  -6.680
  127   2HG   PRO  16          2HG       PRO  16 -15.503   3.207  -6.228
  128   1HD   PRO  16          1HD       PRO  16 -13.382   2.979  -4.581
  129   2HD   PRO  16          2HD       PRO  16 -15.046   3.057  -3.967
  130    H    ASP  17           H        ASP  17 -12.392   0.371  -5.126
  131    HA   ASP  17           HA       ASP  17 -12.105  -1.767  -7.123
  132   1HB   ASP  17          1HB       ASP  17 -10.142   0.410  -6.385
  133   2HB   ASP  17          2HB       ASP  17  -9.939  -0.776  -7.667
  134    H    ILE  18           H        ILE  18 -11.569  -1.013  -3.853
  135    HA   ILE  18           HA       ILE  18  -9.336  -2.825  -3.498
  136    HB   ILE  18           HB       ILE  18 -11.008  -1.230  -1.564
  137   1HG1  ILE  18          1HG1      ILE  18  -8.043  -1.157  -2.139
  138   2HG1  ILE  18          2HG1      ILE  18  -9.215  -0.130  -2.955
  139   1HG2  ILE  18          1HG2      ILE  18  -9.480  -2.033   0.215
  140   2HG2  ILE  18          2HG2      ILE  18  -8.827  -3.211  -0.924
  141   3HG2  ILE  18          3HG2      ILE  18 -10.519  -3.300  -0.435
  142   1HD1  ILE  18          1HD1      ILE  18  -9.829   0.869  -0.818
  143   2HD1  ILE  18          2HD1      ILE  18  -8.107   1.052  -1.148
  144   3HD1  ILE  18          3HD1      ILE  18  -8.661  -0.165   0.002
  145    H    MET  19           H        MET  19 -12.802  -2.780  -2.738
  146    HA   MET  19           HA       MET  19 -12.989  -5.161  -1.333
  147   1HB   MET  19          1HB       MET  19 -15.010  -4.038  -3.279
  148   2HB   MET  19          2HB       MET  19 -15.338  -5.242  -2.043
  149   1HG   MET  19          1HG       MET  19 -14.449  -2.409  -1.561
  150   2HG   MET  19          2HG       MET  19 -16.085  -3.037  -1.357
  151   1HE   MET  19          1HE       MET  19 -14.942  -2.406   2.336
  152   2HE   MET  19          2HE       MET  19 -16.208  -2.123   1.142
  153   3HE   MET  19          3HE       MET  19 -14.604  -1.428   0.907
  154    HA   PRO  20           HA       PRO  20 -13.783  -7.213  -5.874
  155   1HB   PRO  20          1HB       PRO  20 -11.431  -5.691  -6.931
  156   2HB   PRO  20          2HB       PRO  20 -12.829  -6.336  -7.799
  157   1HG   PRO  20          1HG       PRO  20 -12.673  -3.746  -7.188
  158   2HG   PRO  20          2HG       PRO  20 -14.217  -4.614  -7.116
  159   1HD   PRO  20          1HD       PRO  20 -12.500  -3.631  -4.916
  160   2HD   PRO  20          2HD       PRO  20 -14.249  -3.919  -4.943
  161    H    CYS  21           H        CYS  21 -10.489  -6.141  -4.976
  162    HA   CYS  21           HA       CYS  21  -9.187  -8.533  -5.557
  163   1HB   CYS  21          1HB       CYS  21  -8.334  -6.736  -3.300
  164   2HB   CYS  21          2HB       CYS  21  -7.327  -7.684  -4.386
  165    H    ALA  22           H        ALA  22 -10.716  -7.463  -2.545
  166    HA   ALA  22           HA       ALA  22  -9.919  -9.486  -0.837
  167   1HB   ALA  22          1HB       ALA  22 -11.266  -7.482  -0.208
  168   2HB   ALA  22          2HB       ALA  22 -11.859  -8.990   0.488
  169   3HB   ALA  22          3HB       ALA  22 -12.682  -8.275  -0.898
  170    H    ASP  23           H        ASP  23 -12.761  -9.448  -2.973
  171    HA   ASP  23           HA       ASP  23 -13.427 -12.178  -2.362
  172   1HB   ASP  23          1HB       ASP  23 -14.456 -10.319  -4.519
  173   2HB   ASP  23          2HB       ASP  23 -15.138 -11.898  -4.138
  174    H    GLU  24           H        GLU  24 -11.278 -10.592  -4.436
  175    HA   GLU  24           HA       GLU  24 -11.245 -12.316  -6.649
  176   1HB   GLU  24          1HB       GLU  24 -10.128 -10.014  -6.353
  177   2HB   GLU  24          2HB       GLU  24  -8.801 -10.902  -5.622
  178   1HG   GLU  24          1HG       GLU  24  -8.293 -10.523  -7.922
  179   2HG   GLU  24          2HG       GLU  24  -8.612 -12.242  -7.692
  180    H    LEU  25           H        LEU  25  -9.175 -12.326  -3.698
  181    HA   LEU  25           HA       LEU  25  -8.290 -15.017  -4.528
  182   1HB   LEU  25          1HB       LEU  25  -7.121 -13.393  -2.282
  183   2HB   LEU  25          2HB       LEU  25  -6.376 -14.708  -3.182
  184    HG   LEU  25           HG       LEU  25  -6.849 -11.881  -4.122
  185   1HD1  LEU  25          1HD1      LEU  25  -4.864 -12.412  -2.684
  186   2HD1  LEU  25          2HD1      LEU  25  -4.491 -11.733  -4.267
  187   3HD1  LEU  25          3HD1      LEU  25  -4.296 -13.463  -3.982
  188   1HD2  LEU  25          1HD2      LEU  25  -7.387 -13.355  -5.965
  189   2HD2  LEU  25          2HD2      LEU  25  -5.885 -14.248  -5.715
  190   3HD2  LEU  25          3HD2      LEU  25  -5.835 -12.567  -6.248
  191    H    HIS  26           H        HIS  26  -9.487 -13.230  -1.682
  192    HA   HIS  26           HA       HIS  26 -11.112 -15.264  -0.745
  193   1HB   HIS  26          1HB       HIS  26  -9.519 -15.716   1.385
  194   2HB   HIS  26          2HB       HIS  26  -9.586 -16.770  -0.021
  195    HD1  HIS  26           1HD      HIS  26  -7.410 -17.273  -1.064
  196    HD2  HIS  26           2HD      HIS  26  -7.279 -13.758   1.144
  197    HE1  HIS  26           1HE      HIS  26  -5.011 -16.525  -1.137
  198    HE2  HIS  26           2HE      HIS  26  -4.994 -14.316   0.072
  199    H    ILE  27           H        ILE  27  -8.746 -13.090   0.784
  200    HA   ILE  27           HA       ILE  27 -10.909 -11.556   2.021
  201    HB   ILE  27           HB       ILE  27  -9.681 -11.754   4.237
  202   1HG1  ILE  27          1HG1      ILE  27  -8.295 -13.884   2.604
  203   2HG1  ILE  27          2HG1      ILE  27  -7.581 -12.608   3.588
  204   1HG2  ILE  27          1HG2      ILE  27 -11.822 -12.886   3.734
  205   2HG2  ILE  27          2HG2      ILE  27 -10.809 -13.816   4.839
  206   3HG2  ILE  27          3HG2      ILE  27 -10.920 -14.281   3.141
  207   1HD1  ILE  27          1HD1      ILE  27  -8.992 -15.065   4.597
  208   2HD1  ILE  27          2HD1      ILE  27  -8.406 -13.752   5.617
  209   3HD1  ILE  27          3HD1      ILE  27  -7.265 -14.715   4.678
  210    H    SER  28           H        SER  28 -10.397  -9.430   2.340
  211    HA   SER  28           HA       SER  28  -7.802  -8.498   1.440
  212   1HB   SER  28          1HB       SER  28  -9.716  -7.271   0.640
  213   2HB   SER  28          2HB       SER  28 -10.293  -7.010   2.283
  214    HG   SER  28           HG       SER  28  -8.830  -5.388   0.949
  215    H    GLU  29           H        GLU  29  -7.144  -6.363   2.857
  216    HA   GLU  29           HA       GLU  29  -5.927  -7.370   5.151
  217   1HB   GLU  29          1HB       GLU  29  -5.508  -5.176   3.759
  218   2HB   GLU  29          2HB       GLU  29  -6.570  -4.456   4.959
  219   1HG   GLU  29          1HG       GLU  29  -5.077  -5.265   6.735
  220   2HG   GLU  29          2HG       GLU  29  -3.992  -5.912   5.503
  221    H    ASP  30           H        ASP  30  -9.151  -6.352   4.688
  222    HA   ASP  30           HA       ASP  30  -9.658  -5.502   7.382
  223   1HB   ASP  30          1HB       ASP  30 -11.963  -5.360   6.751
  224   2HB   ASP  30          2HB       ASP  30 -11.011  -4.783   5.389
  225    H    ILE  31           H        ILE  31  -9.785  -8.526   5.654
  226    HA   ILE  31           HA       ILE  31 -10.782  -9.856   8.089
  227    HB   ILE  31           HB       ILE  31 -10.792 -10.976   5.281
  228   1HG1  ILE  31          1HG1      ILE  31 -13.099  -9.776   6.827
  229   2HG1  ILE  31          2HG1      ILE  31 -12.250  -8.971   5.513
  230   1HG2  ILE  31          1HG2      ILE  31 -12.139 -11.883   7.825
  231   2HG2  ILE  31          2HG2      ILE  31 -10.798 -12.682   7.004
  232   3HG2  ILE  31          3HG2      ILE  31 -12.382 -12.604   6.234
  233   1HD1  ILE  31          1HD1      ILE  31 -12.952 -10.776   3.995
  234   2HD1  ILE  31          2HD1      ILE  31 -14.311  -9.906   4.707
  235   3HD1  ILE  31          3HD1      ILE  31 -13.865 -11.500   5.318
  236    H    ALA  32           H        ALA  32  -8.041  -9.254   6.307
  237    HA   ALA  32           HA       ALA  32  -6.686 -11.724   6.349
  238   1HB   ALA  32          1HB       ALA  32  -4.660 -10.413   5.992
  239   2HB   ALA  32          2HB       ALA  32  -5.539  -8.937   6.394
  240   3HB   ALA  32          3HB       ALA  32  -5.971  -9.856   4.953
  241    H    THR  33           H        THR  33  -7.191  -9.266   8.766
  242    HA   THR  33           HA       THR  33  -5.177 -10.346  10.552
  243    HB   THR  33           HB       THR  33  -5.524  -7.936  10.539
  244    HG1  THR  33           1HG      THR  33  -5.042  -8.046  12.588
  245   1HG2  THR  33          1HG2      THR  33  -7.883  -7.873   9.925
  246   2HG2  THR  33          2HG2      THR  33  -7.605  -6.953  11.403
  247   3HG2  THR  33          3HG2      THR  33  -8.322  -8.562  11.489
  248    H    ASN  34           H        ASN  34  -7.073 -12.264   9.860
  249    HA   ASN  34           HA       ASN  34  -9.147 -12.470  11.798
  250   1HB   ASN  34          1HB       ASN  34  -9.522 -14.688  10.923
  251   2HB   ASN  34          2HB       ASN  34  -9.205 -13.598   9.578
  252   1HD2  ASN  34          1HD2      ASN  34  -6.349 -13.498  10.001
  253   2HD2  ASN  34          2HD2      ASN  34  -5.720 -15.026   9.502
  254    H    ILE  35           H        ILE  35  -5.824 -13.588  11.634
  255    HA   ILE  35           HA       ILE  35  -5.990 -14.327  14.459
  256    HB   ILE  35           HB       ILE  35  -4.642 -16.376  14.058
  257   1HG1  ILE  35          1HG1      ILE  35  -5.394 -15.960  11.156
  258   2HG1  ILE  35          2HG1      ILE  35  -3.786 -15.682  11.816
  259   1HG2  ILE  35          1HG2      ILE  35  -6.512 -17.759  13.291
  260   2HG2  ILE  35          2HG2      ILE  35  -7.334 -16.314  12.703
  261   3HG2  ILE  35          3HG2      ILE  35  -7.042 -16.520  14.430
  262   1HD1  ILE  35          1HD1      ILE  35  -3.907 -17.825  10.698
  263   2HD1  ILE  35          2HD1      ILE  35  -5.241 -18.316  11.741
  264   3HD1  ILE  35          3HD1      ILE  35  -3.639 -18.046  12.427
  265    H    GLN  36           H        GLN  36  -4.812 -12.104  12.928
  266    HA   GLN  36           HA       GLN  36  -2.951 -10.800  12.988
  267   1HB   GLN  36          1HB       GLN  36  -2.951 -11.947  15.405
  268   2HB   GLN  36          2HB       GLN  36  -1.473 -12.656  14.773
  269   1HG   GLN  36          1HG       GLN  36  -0.672 -10.781  15.811
  270   2HG   GLN  36          2HG       GLN  36  -0.870 -10.208  14.156
  271   1HE2  GLN  36          1HE2      GLN  36  -3.806 -10.102  14.428
  272   2HE2  GLN  36          2HE2      GLN  36  -4.130  -8.693  15.372
  273    H    ALA  37           H        ALA  37  -1.453 -10.622  11.475
  274    HA   ALA  37           HA       ALA  37  -0.494 -12.999  10.133
  275   1HB   ALA  37          1HB       ALA  37   0.367 -11.483   8.455
  276   2HB   ALA  37          2HB       ALA  37   0.019 -10.100   9.491
  277   3HB   ALA  37          3HB       ALA  37  -1.304 -11.072   8.846
  278    H    ALA  38           H        ALA  38   1.325 -10.024  10.913
  279    HA   ALA  38           HA       ALA  38   3.147 -11.176  12.692
  280   1HB   ALA  38          1HB       ALA  38   4.321 -11.055   9.930
  281   2HB   ALA  38          2HB       ALA  38   3.687 -12.537  10.641
  282   3HB   ALA  38          3HB       ALA  38   5.048 -11.709  11.397
  283    H    LYS  39           H        LYS  39   3.615  -9.108   9.791
  284    HA   LYS  39           HA       LYS  39   5.351  -7.292  10.933
  285   1HB   LYS  39          1HB       LYS  39   3.248  -6.406   8.981
  286   2HB   LYS  39          2HB       LYS  39   4.915  -5.865   9.120
  287   1HG   LYS  39          1HG       LYS  39   3.938  -8.511   8.076
  288   2HG   LYS  39          2HG       LYS  39   4.708  -7.215   7.162
  289   1HD   LYS  39          1HD       LYS  39   6.026  -8.774   9.387
  290   2HD   LYS  39          2HD       LYS  39   6.237  -9.104   7.666
  291   1HE   LYS  39          1HE       LYS  39   7.198  -6.903   7.337
  292   2HE   LYS  39          2HE       LYS  39   6.909  -6.496   9.027
  293   1HZ   LYS  39          1HZ       LYS  39   9.212  -7.149   8.604
  294   2HZ   LYS  39          2HZ       LYS  39   8.695  -8.672   8.082
  295   3HZ   LYS  39          3HZ       LYS  39   8.455  -8.204   9.689
  296    H    ASN  40           H        ASN  40   1.903  -6.632  10.389
  297    HA   ASN  40           HA       ASN  40   1.801  -5.231  12.975
  298   1HB   ASN  40          1HB       ASN  40   0.090  -3.696  11.822
  299   2HB   ASN  40          2HB       ASN  40   1.788  -3.440  11.433
  300   1HD2  ASN  40          1HD2      ASN  40   2.559  -4.036   9.405
  301   2HD2  ASN  40          2HD2      ASN  40   1.497  -4.326   8.074
  302    H    GLY  41           H        GLY  41   0.929  -7.823  11.413
  303   1HA   GLY  41          1HA       GLY  41  -0.615  -9.449  11.928
  304   2HA   GLY  41          2HA       GLY  41  -1.437  -8.303  12.975
  305    H    ALA  42           H        ALA  42  -1.417  -6.367  10.617
  306    HA   ALA  42           HA       ALA  42  -3.893  -7.342   9.427
  307   1HB   ALA  42          1HB       ALA  42  -3.779  -5.051  10.391
  308   2HB   ALA  42          2HB       ALA  42  -4.266  -5.089   8.698
  309   3HB   ALA  42          3HB       ALA  42  -2.623  -4.625   9.131
  310    H    ASP  43           H        ASP  43  -0.672  -6.258   8.520
  311    HA   ASP  43           HA       ASP  43  -1.167  -7.051   5.742
  312   1HB   ASP  43          1HB       ASP  43   1.047  -5.334   6.872
  313   2HB   ASP  43          2HB       ASP  43   0.765  -5.663   5.168
  314    H    MET  44           H        MET  44   0.400  -8.249   4.582
  315    HA   MET  44           HA       MET  44   2.748  -9.280   5.685
  316   1HB   MET  44          1HB       MET  44   0.919 -10.496   7.039
  317   2HB   MET  44          2HB       MET  44   0.646 -11.419   5.567
  318   1HG   MET  44          1HG       MET  44   2.124 -12.630   7.030
  319   2HG   MET  44          2HG       MET  44   2.999 -12.118   5.584
  320   1HE   MET  44          1HE       MET  44   4.587 -13.149   8.048
  321   2HE   MET  44          2HE       MET  44   5.840 -11.920   8.214
  322   3HE   MET  44          3HE       MET  44   5.366 -12.485   6.612
  323    H    SER  45           H        SER  45   2.183 -11.995   4.348
  324    HA   SER  45           HA       SER  45   3.105 -11.209   1.744
  325   1HB   SER  45          1HB       SER  45   4.067 -13.160   2.884
  326   2HB   SER  45          2HB       SER  45   2.490 -13.948   2.880
  327    HG   SER  45           HG       SER  45   2.649 -14.306   0.768
  328    H    GLN  46           H        GLN  46   0.225 -12.792   3.072
  329    HA   GLN  46           HA       GLN  46  -1.017 -13.127   0.528
  330   1HB   GLN  46          1HB       GLN  46  -1.492 -14.294   2.865
  331   2HB   GLN  46          2HB       GLN  46  -2.632 -12.967   3.038
  332   1HG   GLN  46          1HG       GLN  46  -3.648 -15.021   2.131
  333   2HG   GLN  46          2HG       GLN  46  -3.802 -13.632   1.055
  334   1HE2  GLN  46          1HE2      GLN  46  -2.658 -13.596  -0.877
  335   2HE2  GLN  46          2HE2      GLN  46  -1.903 -15.005  -1.537
  336    H    LEU  47           H        LEU  47  -1.160 -10.761   3.129
  337    HA   LEU  47           HA       LEU  47  -3.161  -9.142   1.958
  338   1HB   LEU  47          1HB       LEU  47  -2.626  -9.008   4.330
  339   2HB   LEU  47          2HB       LEU  47  -0.991  -8.504   3.960
  340    HG   LEU  47           HG       LEU  47  -2.696  -6.743   4.736
  341   1HD1  LEU  47          1HD1      LEU  47  -0.418  -6.347   3.784
  342   2HD1  LEU  47          2HD1      LEU  47  -1.576  -5.040   3.551
  343   3HD1  LEU  47          3HD1      LEU  47  -1.190  -6.125   2.214
  344   1HD2  LEU  47          1HD2      LEU  47  -3.484  -6.977   1.837
  345   2HD2  LEU  47          2HD2      LEU  47  -3.988  -5.702   2.943
  346   3HD2  LEU  47          3HD2      LEU  47  -4.501  -7.365   3.223
  347    H    GLY  48           H        GLY  48   0.399  -9.043   1.964
  348   1HA   GLY  48          1HA       GLY  48   0.759  -6.740   0.461
  349   2HA   GLY  48          2HA       GLY  48   1.854  -8.114   0.455
  350    H    CYS  49           H        CYS  49  -0.863  -9.510  -0.508
  351    HA   CYS  49           HA       CYS  49  -0.283  -9.080  -3.353
  352   1HB   CYS  49          1HB       CYS  49  -1.180 -11.380  -1.743
  353   2HB   CYS  49          2HB       CYS  49  -1.930 -11.211  -3.325
  354    H    LEU  50           H        LEU  50  -3.122  -9.864  -1.337
  355    HA   LEU  50           HA       LEU  50  -5.075  -9.108  -3.153
  356   1HB   LEU  50          1HB       LEU  50  -4.979  -9.245  -0.173
  357   2HB   LEU  50          2HB       LEU  50  -6.386  -8.543  -0.948
  358    HG   LEU  50           HG       LEU  50  -5.922 -10.962  -2.276
  359   1HD1  LEU  50          1HD1      LEU  50  -4.453 -11.617  -0.430
  360   2HD1  LEU  50          2HD1      LEU  50  -5.911 -12.605  -0.494
  361   3HD1  LEU  50          3HD1      LEU  50  -5.766 -11.325   0.710
  362   1HD2  LEU  50          1HD2      LEU  50  -8.048 -11.603  -1.195
  363   2HD2  LEU  50          2HD2      LEU  50  -8.085  -9.991  -1.908
  364   3HD2  LEU  50          3HD2      LEU  50  -7.917 -10.178  -0.165
  365    H    LYS  51           H        LYS  51  -3.203  -7.208  -0.898
  366    HA   LYS  51           HA       LYS  51  -4.628  -4.778  -1.475
  367   1HB   LYS  51          1HB       LYS  51  -2.929  -5.632   0.571
  368   2HB   LYS  51          2HB       LYS  51  -2.002  -4.406  -0.284
  369   1HG   LYS  51          1HG       LYS  51  -3.239  -3.407   1.534
  370   2HG   LYS  51          2HG       LYS  51  -3.860  -2.828  -0.013
  371   1HD   LYS  51          1HD       LYS  51  -5.688  -4.475   0.132
  372   2HD   LYS  51          2HD       LYS  51  -5.081  -4.989   1.705
  373   1HE   LYS  51          1HE       LYS  51  -5.459  -2.752   2.594
  374   2HE   LYS  51          2HE       LYS  51  -6.028  -2.211   1.016
  375   1HZ   LYS  51          1HZ       LYS  51  -7.309  -4.300   2.695
  376   2HZ   LYS  51          2HZ       LYS  51  -7.855  -3.787   1.177
  377   3HZ   LYS  51          3HZ       LYS  51  -7.871  -2.717   2.486
  378    H    ALA  52           H        ALA  52  -2.021  -6.591  -2.801
  379    HA   ALA  52           HA       ALA  52  -0.731  -4.388  -4.129
  380   1HB   ALA  52          1HB       ALA  52   0.631  -6.281  -3.769
  381   2HB   ALA  52          2HB       ALA  52   0.314  -6.257  -5.504
  382   3HB   ALA  52          3HB       ALA  52  -0.565  -7.375  -4.462
  383    H    CYS  53           H        CYS  53  -3.451  -6.410  -4.680
  384    HA   CYS  53           HA       CYS  53  -3.703  -6.208  -7.473
  385   1HB   CYS  53          1HB       CYS  53  -5.121  -7.812  -6.660
  386   2HB   CYS  53          2HB       CYS  53  -5.488  -6.906  -5.199
  387    H    VAL  54           H        VAL  54  -4.359  -4.013  -4.886
  388    HA   VAL  54           HA       VAL  54  -6.062  -2.256  -6.392
  389    HB   VAL  54           HB       VAL  54  -4.542  -1.611  -3.863
  390   1HG1  VAL  54          1HG1      VAL  54  -6.347   0.007  -3.501
  391   2HG1  VAL  54          2HG1      VAL  54  -7.062  -0.453  -5.046
  392   3HG1  VAL  54          3HG1      VAL  54  -5.480   0.324  -5.005
  393   1HG2  VAL  54          1HG2      VAL  54  -6.577  -2.287  -2.652
  394   2HG2  VAL  54          2HG2      VAL  54  -5.822  -3.638  -3.499
  395   3HG2  VAL  54          3HG2      VAL  54  -7.265  -2.875  -4.166
  396    H    MET  55           H        MET  55  -2.670  -2.691  -5.937
  397    HA   MET  55           HA       MET  55  -1.781  -0.097  -6.638
  398   1HB   MET  55          1HB       MET  55  -0.370  -2.757  -6.965
  399   2HB   MET  55          2HB       MET  55   0.394  -1.173  -7.035
  400   1HG   MET  55          1HG       MET  55  -0.278  -0.777  -4.697
  401   2HG   MET  55          2HG       MET  55  -0.950  -2.405  -4.641
  402   1HE   MET  55          1HE       MET  55   0.563  -2.877  -2.466
  403   2HE   MET  55          2HE       MET  55   1.222  -1.245  -2.586
  404   3HE   MET  55          3HE       MET  55   2.309  -2.625  -2.434
  405    H    LYS  56           H        LYS  56  -1.950  -3.101  -8.538
  406    HA   LYS  56           HA       LYS  56  -1.197  -2.022 -11.000
  407   1HB   LYS  56          1HB       LYS  56  -3.159  -4.286 -10.639
  408   2HB   LYS  56          2HB       LYS  56  -2.054  -4.025 -11.980
  409   1HG   LYS  56          1HG       LYS  56  -0.180  -4.607 -10.671
  410   2HG   LYS  56          2HG       LYS  56  -1.115  -4.541  -9.177
  411   1HD   LYS  56          1HD       LYS  56  -2.475  -6.440  -9.995
  412   2HD   LYS  56          2HD       LYS  56  -1.436  -6.534 -11.419
  413   1HE   LYS  56          1HE       LYS  56  -0.469  -6.796  -8.577
  414   2HE   LYS  56          2HE       LYS  56  -0.849  -8.156  -9.630
  415   1HZ   LYS  56          1HZ       LYS  56   0.863  -7.397 -11.162
  416   2HZ   LYS  56          2HZ       LYS  56   1.514  -7.681  -9.630
  417   3HZ   LYS  56          3HZ       LYS  56   1.229  -6.097 -10.143
  418    H    ARG  57           H        ARG  57  -4.156  -1.796  -9.256
  419    HA   ARG  57           HA       ARG  57  -5.965  -1.318 -11.349
  420   1HB   ARG  57          1HB       ARG  57  -6.340  -1.681  -8.781
  421   2HB   ARG  57          2HB       ARG  57  -6.215   0.071  -8.705
  422   1HG   ARG  57          1HG       ARG  57  -8.482  -0.241  -8.898
  423   2HG   ARG  57          2HG       ARG  57  -8.012   0.019 -10.578
  424   1HD   ARG  57          1HD       ARG  57  -8.337  -2.691  -9.296
  425   2HD   ARG  57          2HD       ARG  57  -9.585  -1.888 -10.245
  426    HE   ARG  57           HE       ARG  57  -7.371  -1.939 -11.862
  427   1HH1  ARG  57          1HH1      ARG  57  -9.308  -4.311 -10.202
  428   2HH1  ARG  57          2HH1      ARG  57  -9.009  -5.558 -11.367
  429   1HH2  ARG  57          1HH2      ARG  57  -6.972  -3.572 -13.399
  430   2HH2  ARG  57          2HH2      ARG  57  -7.681  -5.138 -13.184
  431    H    ILE  58           H        ILE  58  -3.747   0.801  -9.627
  432    HA   ILE  58           HA       ILE  58  -4.556   3.021 -11.386
  433    HB   ILE  58           HB       ILE  58  -3.520   4.520  -9.697
  434   1HG1  ILE  58          1HG1      ILE  58  -3.430   2.036  -7.971
  435   2HG1  ILE  58          2HG1      ILE  58  -2.019   2.775  -8.718
  436   1HG2  ILE  58          1HG2      ILE  58  -5.340   4.338  -8.061
  437   2HG2  ILE  58          2HG2      ILE  58  -5.727   2.734  -8.682
  438   3HG2  ILE  58          3HG2      ILE  58  -5.922   4.152  -9.715
  439   1HD1  ILE  58          1HD1      ILE  58  -2.210   3.403  -6.384
  440   2HD1  ILE  58          2HD1      ILE  58  -3.818   4.063  -6.679
  441   3HD1  ILE  58          3HD1      ILE  58  -2.407   4.811  -7.427
  442    H    GLU  59           H        GLU  59  -2.623   0.833 -11.959
  443    HA   GLU  59           HA       GLU  59  -0.583   0.538 -12.919
  444   1HB   GLU  59          1HB       GLU  59  -0.913   3.510 -13.323
  445   2HB   GLU  59          2HB       GLU  59   0.432   2.597 -13.993
  446   1HG   GLU  59          1HG       GLU  59  -1.120   1.218 -15.262
  447   2HG   GLU  59          2HG       GLU  59  -2.480   2.098 -14.569
  448    H    MET  60           H        MET  60  -0.245   0.260 -10.393
  449    HA   MET  60           HA       MET  60   2.117   1.877  -9.692
  450   1HB   MET  60          1HB       MET  60   0.121   2.393  -8.280
  451   2HB   MET  60          2HB       MET  60   0.105   0.716  -7.752
  452   1HG   MET  60          1HG       MET  60   2.497   1.139  -6.956
  453   2HG   MET  60          2HG       MET  60   2.124   2.847  -7.164
  454   1HE   MET  60          1HE       MET  60   2.904   0.924  -4.469
  455   2HE   MET  60          2HE       MET  60   2.035   1.855  -3.249
  456   3HE   MET  60          3HE       MET  60   2.986   2.685  -4.482
  457    H    LEU  61           H        LEU  61   1.211  -1.031 -10.748
  458    HA   LEU  61           HA       LEU  61   3.566  -2.330  -9.765
  459   1HB   LEU  61          1HB       LEU  61   1.955  -2.667  -7.900
  460   2HB   LEU  61          2HB       LEU  61   0.888  -3.504  -9.014
  461    HG   LEU  61           HG       LEU  61   2.717  -5.186  -9.382
  462   1HD1  LEU  61          1HD1      LEU  61   4.495  -5.301  -7.694
  463   2HD1  LEU  61          2HD1      LEU  61   3.969  -3.747  -7.048
  464   3HD1  LEU  61          3HD1      LEU  61   4.612  -3.847  -8.685
  465   1HD2  LEU  61          1HD2      LEU  61   0.815  -5.563  -7.859
  466   2HD2  LEU  61          2HD2      LEU  61   1.770  -4.898  -6.535
  467   3HD2  LEU  61          3HD2      LEU  61   2.283  -6.384  -7.332
  468    H    LYS  62           H        LYS  62   4.324  -3.581 -11.331
  469    HA   LYS  62           HA       LYS  62   2.444  -4.591 -13.362
  470   1HB   LYS  62          1HB       LYS  62   5.346  -3.791 -13.664
  471   2HB   LYS  62          2HB       LYS  62   4.388  -4.551 -14.926
  472   1HG   LYS  62          1HG       LYS  62   3.279  -2.087 -13.731
  473   2HG   LYS  62          2HG       LYS  62   4.725  -1.910 -14.725
  474   1HD   LYS  62          1HD       LYS  62   2.873  -1.628 -16.177
  475   2HD   LYS  62          2HD       LYS  62   3.523  -3.236 -16.504
  476   1HE   LYS  62          1HE       LYS  62   1.784  -4.232 -15.116
  477   2HE   LYS  62          2HE       LYS  62   1.147  -2.631 -14.745
  478   1HZ   LYS  62          1HZ       LYS  62  -0.124  -3.714 -16.493
  479   2HZ   LYS  62          2HZ       LYS  62   1.264  -3.857 -17.448
  480   3HZ   LYS  62          3HZ       LYS  62   0.641  -2.326 -17.086
  481    H    GLY  63           H        GLY  63   2.129  -6.469 -12.015
  482   1HA   GLY  63          1HA       GLY  63   2.492  -8.716 -11.642
  483   2HA   GLY  63          2HA       GLY  63   3.912  -8.605 -12.673
  484    H    THR  64           H        THR  64   5.820  -7.532 -11.682
  485    HA   THR  64           HA       THR  64   5.974  -7.805  -8.781
  486    HB   THR  64           HB       THR  64   8.152  -8.969  -8.958
  487    HG1  THR  64           1HG      THR  64   7.988  -9.980 -11.400
  488   1HG2  THR  64          1HG2      THR  64   7.275 -11.176  -9.602
  489   2HG2  THR  64          2HG2      THR  64   5.864 -10.397 -10.318
  490   3HG2  THR  64          3HG2      THR  64   6.141 -10.292  -8.579
  491    H    GLU  65           H        GLU  65   5.875  -5.533 -10.640
  492    HA   GLU  65           HA       GLU  65   8.527  -4.357 -10.099
  493   1HB   GLU  65          1HB       GLU  65   7.795  -4.646 -12.528
  494   2HB   GLU  65          2HB       GLU  65   6.596  -3.398 -12.204
  495   1HG   GLU  65          1HG       GLU  65   8.515  -2.407 -13.244
  496   2HG   GLU  65          2HG       GLU  65   8.416  -1.861 -11.570
  497    H    LEU  66           H        LEU  66   8.362  -3.135  -8.309
  498    HA   LEU  66           HA       LEU  66   5.986  -1.903  -7.421
  499   1HB   LEU  66          1HB       LEU  66   8.823  -1.194  -6.682
  500   2HB   LEU  66          2HB       LEU  66   7.382  -0.806  -5.768
  501    HG   LEU  66           HG       LEU  66   8.223  -2.582  -4.588
  502   1HD1  LEU  66          1HD1      LEU  66   6.519  -4.030  -6.589
  503   2HD1  LEU  66          2HD1      LEU  66   5.889  -3.007  -5.298
  504   3HD1  LEU  66          3HD1      LEU  66   6.800  -4.464  -4.904
  505   1HD2  LEU  66          1HD2      LEU  66   9.837  -3.051  -6.683
  506   2HD2  LEU  66          2HD2      LEU  66   8.776  -4.460  -6.773
  507   3HD2  LEU  66          3HD2      LEU  66   9.679  -4.126  -5.297
  508    H    TYR  67           H        TYR  67   5.324   0.231  -7.435
  509    HA   TYR  67           HA       TYR  67   6.856   2.166  -9.003
  510   1HB   TYR  67          1HB       TYR  67   4.078   1.208  -9.633
  511   2HB   TYR  67          2HB       TYR  67   4.586   2.834 -10.075
  512    HD1  TYR  67           1HD      TYR  67   4.858  -0.706 -10.839
  513    HD2  TYR  67           2HD      TYR  67   6.404   3.157 -11.716
  514    HE1  TYR  67           1HE      TYR  67   5.885  -1.591 -12.892
  515    HE2  TYR  67           2HE      TYR  67   7.435   2.286 -13.771
  516    HH   TYR  67           HH       TYR  67   8.199   0.125 -14.674
  517    H    VAL  68           H        VAL  68   6.203   4.383  -8.626
  518    HA   VAL  68           HA       VAL  68   4.428   4.804  -6.343
  519    HB   VAL  68           HB       VAL  68   6.090   6.388  -5.372
  520   1HG1  VAL  68          1HG1      VAL  68   7.454   4.659  -4.306
  521   2HG1  VAL  68          2HG1      VAL  68   6.964   3.510  -5.552
  522   3HG1  VAL  68          3HG1      VAL  68   5.766   4.160  -4.432
  523   1HG2  VAL  68          1HG2      VAL  68   7.982   5.058  -7.303
  524   2HG2  VAL  68          2HG2      VAL  68   8.437   6.174  -6.017
  525   3HG2  VAL  68          3HG2      VAL  68   7.451   6.738  -7.365
  526    H    GLU  69           H        GLU  69   5.031   5.534  -9.426
  527    HA   GLU  69           HA       GLU  69   5.083   8.326  -9.568
  528   1HB   GLU  69          1HB       GLU  69   3.790   6.417 -11.524
  529   2HB   GLU  69          2HB       GLU  69   4.259   8.078 -11.855
  530   1HG   GLU  69          1HG       GLU  69   6.590   7.518 -11.539
  531   2HG   GLU  69          2HG       GLU  69   6.156   5.867 -11.102
  532    HA   PRO  70           HA       PRO  70   0.245   8.267  -9.750
  533   1HB   PRO  70          1HB       PRO  70  -1.012   6.064  -8.756
  534   2HB   PRO  70          2HB       PRO  70  -0.617   6.271 -10.465
  535   1HG   PRO  70          1HG       PRO  70   0.818   4.703  -8.364
  536   2HG   PRO  70          2HG       PRO  70   0.493   4.280 -10.054
  537   1HD   PRO  70          1HD       PRO  70   2.898   5.196  -9.207
  538   2HD   PRO  70          2HD       PRO  70   2.268   5.515 -10.835
  539    H    VAL  71           H        VAL  71   1.904   6.614  -7.126
  540    HA   VAL  71           HA       VAL  71   0.131   7.309  -5.040
  541    HB   VAL  71           HB       VAL  71   3.113   6.922  -4.771
  542   1HG1  VAL  71          1HG1      VAL  71   0.850   6.451  -2.832
  543   2HG1  VAL  71          2HG1      VAL  71   1.985   7.800  -2.786
  544   3HG1  VAL  71          3HG1      VAL  71   2.561   6.154  -2.522
  545   1HG2  VAL  71          1HG2      VAL  71   2.624   4.543  -4.403
  546   2HG2  VAL  71          2HG2      VAL  71   2.191   5.062  -6.032
  547   3HG2  VAL  71          3HG2      VAL  71   0.934   4.837  -4.816
  548    H    TYR  72           H        TYR  72   3.106   8.886  -6.197
  549    HA   TYR  72           HA       TYR  72   3.236  10.965  -4.389
  550   1HB   TYR  72          1HB       TYR  72   3.953  10.871  -7.320
  551   2HB   TYR  72          2HB       TYR  72   4.287  12.274  -6.314
  552    HD1  TYR  72           1HD      TYR  72   6.663  11.791  -7.153
  553    HD2  TYR  72           2HD      TYR  72   4.581   9.204  -4.487
  554    HE1  TYR  72           1HE      TYR  72   8.798  10.790  -6.462
  555    HE2  TYR  72           2HE      TYR  72   6.713   8.200  -3.792
  556    HH   TYR  72           HH       TYR  72   8.989   7.916  -4.672
  557    H    LYS  73           H        LYS  73   0.924  10.396  -6.861
  558    HA   LYS  73           HA       LYS  73  -0.029  13.120  -6.985
  559   1HB   LYS  73          1HB       LYS  73  -0.143  11.668  -8.964
  560   2HB   LYS  73          2HB       LYS  73  -1.207  10.566  -8.101
  561   1HG   LYS  73          1HG       LYS  73  -2.566  11.884  -9.522
  562   2HG   LYS  73          2HG       LYS  73  -2.838  12.454  -7.875
  563   1HD   LYS  73          1HD       LYS  73  -1.033  14.202  -8.389
  564   2HD   LYS  73          2HD       LYS  73  -1.269  13.758 -10.079
  565   1HE   LYS  73          1HE       LYS  73  -3.699  14.250  -9.790
  566   2HE   LYS  73          2HE       LYS  73  -3.333  14.854  -8.175
  567   1HZ   LYS  73          1HZ       LYS  73  -2.261  15.936 -10.725
  568   2HZ   LYS  73          2HZ       LYS  73  -1.857  16.498  -9.181
  569   3HZ   LYS  73          3HZ       LYS  73  -3.441  16.660  -9.751
  570    H    MET  74           H        MET  74  -0.982  10.098  -5.417
  571    HA   MET  74           HA       MET  74  -3.484  11.106  -4.462
  572   1HB   MET  74          1HB       MET  74  -2.055   8.786  -3.209
  573   2HB   MET  74          2HB       MET  74  -3.781   9.028  -3.448
  574   1HG   MET  74          1HG       MET  74  -3.301   8.832  -5.935
  575   2HG   MET  74          2HG       MET  74  -1.711   8.234  -5.462
  576   1HE   MET  74          1HE       MET  74  -1.328   5.960  -4.087
  577   2HE   MET  74          2HE       MET  74  -2.659   5.011  -3.424
  578   3HE   MET  74          3HE       MET  74  -2.353   6.640  -2.825
  579    H    ILE  75           H        ILE  75  -0.271  10.586  -3.081
  580    HA   ILE  75           HA       ILE  75  -0.701  11.209  -0.442
  581    HB   ILE  75           HB       ILE  75   1.669  12.138  -2.077
  582   1HG1  ILE  75          1HG1      ILE  75   1.406   9.570  -0.507
  583   2HG1  ILE  75          2HG1      ILE  75   1.090   9.670  -2.235
  584   1HG2  ILE  75          1HG2      ILE  75   1.415  11.574   0.874
  585   2HG2  ILE  75          2HG2      ILE  75   1.527  13.169   0.134
  586   3HG2  ILE  75          3HG2      ILE  75   2.889  12.053   0.032
  587   1HD1  ILE  75          1HD1      ILE  75   3.318   8.842  -1.829
  588   2HD1  ILE  75          2HD1      ILE  75   3.699  10.266  -0.862
  589   3HD1  ILE  75          3HD1      ILE  75   3.395  10.431  -2.591
  590    H    GLU  76           H        GLU  76  -0.856  13.280  -3.200
  591    HA   GLU  76           HA       GLU  76  -0.487  15.774  -1.908
  592   1HB   GLU  76          1HB       GLU  76  -1.986  15.061  -4.432
  593   2HB   GLU  76          2HB       GLU  76  -1.680  16.709  -3.903
  594   1HG   GLU  76          1HG       GLU  76   0.760  16.190  -3.968
  595   2HG   GLU  76          2HG       GLU  76   0.349  14.644  -4.704
  596    H    VAL  77           H        VAL  77  -3.527  14.226  -2.998
  597    HA   VAL  77           HA       VAL  77  -5.108  16.051  -1.418
  598    HB   VAL  77           HB       VAL  77  -5.983  13.588  -2.936
  599   1HG1  VAL  77          1HG1      VAL  77  -7.570  15.915  -1.858
  600   2HG1  VAL  77          2HG1      VAL  77  -7.598  14.259  -1.252
  601   3HG1  VAL  77          3HG1      VAL  77  -8.210  14.618  -2.866
  602   1HG2  VAL  77          1HG2      VAL  77  -6.644  15.138  -4.708
  603   2HG2  VAL  77          2HG2      VAL  77  -4.909  15.218  -4.402
  604   3HG2  VAL  77          3HG2      VAL  77  -5.972  16.483  -3.786
  605    H    VAL  78           H        VAL  78  -4.340  12.605  -1.356
  606    HA   VAL  78           HA       VAL  78  -5.851  11.682   0.706
  607    HB   VAL  78           HB       VAL  78  -3.042  10.990  -0.134
  608   1HG1  VAL  78          1HG1      VAL  78  -4.645   9.624   2.036
  609   2HG1  VAL  78          2HG1      VAL  78  -3.144  10.522   2.261
  610   3HG1  VAL  78          3HG1      VAL  78  -3.144   9.021   1.335
  611   1HG2  VAL  78          1HG2      VAL  78  -4.829  10.359  -1.637
  612   2HG2  VAL  78          2HG2      VAL  78  -5.690   9.557  -0.324
  613   3HG2  VAL  78          3HG2      VAL  78  -4.143   8.919  -0.883
  614    H    HIS  79           H        HIS  79  -2.839  13.506   0.959
  615    HA   HIS  79           HA       HIS  79  -3.182  13.643   3.871
  616   1HB   HIS  79          1HB       HIS  79  -0.750  14.164   2.149
  617   2HB   HIS  79          2HB       HIS  79  -0.810  14.445   3.886
  618    HD1  HIS  79           1HD      HIS  79  -0.531  12.442   5.406
  619    HD2  HIS  79           2HD      HIS  79  -0.844  11.410   1.395
  620    HE1  HIS  79           1HE      HIS  79   0.047   9.998   5.294
  621    HE2  HIS  79           2HE      HIS  79  -0.210   9.381   2.864
  622    H    ALA  80           H        ALA  80  -4.976  15.186   2.702
  623    HA   ALA  80           HA       ALA  80  -4.149  17.779   1.956
  624   1HB   ALA  80          1HB       ALA  80  -6.482  18.410   2.226
  625   2HB   ALA  80          2HB       ALA  80  -6.803  16.908   3.093
  626   3HB   ALA  80          3HB       ALA  80  -6.348  16.863   1.390
  627    H    GLY  81           H        GLY  81  -3.342  19.366   3.154
  628   1HA   GLY  81          1HA       GLY  81  -4.127  20.656   5.289
  629   2HA   GLY  81          2HA       GLY  81  -3.564  19.189   6.073
  630    H    ASN  82           H        ASN  82  -1.282  18.579   5.670
  631    HA   ASN  82           HA       ASN  82   0.388  20.979   5.751
  632   1HB   ASN  82          1HB       ASN  82   1.005  18.112   6.488
  633   2HB   ASN  82          2HB       ASN  82   2.125  19.458   6.658
  634   1HD2  ASN  82          1HD2      ASN  82   1.782  20.985   8.257
  635   2HD2  ASN  82          2HD2      ASN  82   0.710  20.704   9.581
  636    H    ALA  83           H        ALA  83   2.147  21.305   4.428
  637    HA   ALA  83           HA       ALA  83   2.033  20.019   1.848
  638   1HB   ALA  83          1HB       ALA  83   2.386  22.438   2.032
  639   2HB   ALA  83          2HB       ALA  83   3.715  21.648   1.183
  640   3HB   ALA  83          3HB       ALA  83   3.915  22.150   2.862
  641    H    ASP  84           H        ASP  84   4.040  19.856   4.706
  642    HA   ASP  84           HA       ASP  84   6.165  18.443   3.370
  643   1HB   ASP  84          1HB       ASP  84   5.693  18.719   6.343
  644   2HB   ASP  84          2HB       ASP  84   7.182  18.214   5.544
  645    H    ASP  85           H        ASP  85   3.226  17.627   5.060
  646    HA   ASP  85           HA       ASP  85   3.797  14.964   5.724
  647   1HB   ASP  85          1HB       ASP  85   1.228  16.375   5.007
  648   2HB   ASP  85          2HB       ASP  85   1.254  14.647   5.347
  649    H    ILE  86           H        ILE  86   3.261  16.553   2.748
  650    HA   ILE  86           HA       ILE  86   2.812  14.136   1.225
  651    HB   ILE  86           HB       ILE  86   3.288  16.974   0.287
  652   1HG1  ILE  86          1HG1      ILE  86   0.681  15.455   0.497
  653   2HG1  ILE  86          2HG1      ILE  86   1.234  16.630   1.685
  654   1HG2  ILE  86          1HG2      ILE  86   2.381  16.208  -1.850
  655   2HG2  ILE  86          2HG2      ILE  86   2.240  14.572  -1.210
  656   3HG2  ILE  86          3HG2      ILE  86   3.831  15.304  -1.415
  657   1HD1  ILE  86          1HD1      ILE  86   1.207  18.369  -0.029
  658   2HD1  ILE  86          2HD1      ILE  86  -0.375  17.614   0.165
  659   3HD1  ILE  86          3HD1      ILE  86   0.642  17.191  -1.211
  660    H    GLN  87           H        GLN  87   5.360  16.376   2.028
  661    HA   GLN  87           HA       GLN  87   7.258  15.382   0.138
  662   1HB   GLN  87          1HB       GLN  87   7.633  17.063   2.613
  663   2HB   GLN  87          2HB       GLN  87   8.885  16.743   1.421
  664   1HG   GLN  87          1HG       GLN  87   7.415  17.822  -0.281
  665   2HG   GLN  87          2HG       GLN  87   6.336  18.274   1.036
  666   1HE2  GLN  87          1HE2      GLN  87   6.988  19.827   2.523
  667   2HE2  GLN  87          2HE2      GLN  87   8.317  20.888   2.221
  668    H    LEU  88           H        LEU  88   6.189  14.414   3.248
  669    HA   LEU  88           HA       LEU  88   8.588  12.965   3.934
  670   1HB   LEU  88          1HB       LEU  88   7.118  13.969   5.652
  671   2HB   LEU  88          2HB       LEU  88   5.846  12.855   5.190
  672    HG   LEU  88           HG       LEU  88   7.329  10.967   5.861
  673   1HD1  LEU  88          1HD1      LEU  88   9.283  11.443   7.238
  674   2HD1  LEU  88          2HD1      LEU  88   9.069  13.170   6.956
  675   3HD1  LEU  88          3HD1      LEU  88   9.475  12.101   5.613
  676   1HD2  LEU  88          1HD2      LEU  88   7.050  11.306   8.273
  677   2HD2  LEU  88          2HD2      LEU  88   5.615  11.796   7.372
  678   3HD2  LEU  88          3HD2      LEU  88   6.729  13.017   7.989
  679    H    VAL  89           H        VAL  89   5.230  12.034   3.176
  680    HA   VAL  89           HA       VAL  89   5.611   9.281   3.083
  681    HB   VAL  89           HB       VAL  89   3.693  10.895   1.400
  682   1HG1  VAL  89          1HG1      VAL  89   3.865   8.633   0.587
  683   2HG1  VAL  89          2HG1      VAL  89   2.331   8.827   1.435
  684   3HG1  VAL  89          3HG1      VAL  89   3.674   7.993   2.219
  685   1HG2  VAL  89          1HG2      VAL  89   2.090  10.572   3.186
  686   2HG2  VAL  89          2HG2      VAL  89   3.526  11.387   3.807
  687   3HG2  VAL  89          3HG2      VAL  89   3.281   9.670   4.124
  688    H    LYS  90           H        LYS  90   6.282  11.735   0.677
  689    HA   LYS  90           HA       LYS  90   6.540  10.140  -1.596
  690   1HB   LYS  90          1HB       LYS  90   7.206  12.821  -0.819
  691   2HB   LYS  90          2HB       LYS  90   8.546  12.131  -1.723
  692   1HG   LYS  90          1HG       LYS  90   7.464  12.582  -3.598
  693   2HG   LYS  90          2HG       LYS  90   6.208  11.445  -3.122
  694   1HD   LYS  90          1HD       LYS  90   5.022  13.211  -1.946
  695   2HD   LYS  90          2HD       LYS  90   6.296  14.352  -2.380
  696   1HE   LYS  90          1HE       LYS  90   4.580  12.851  -4.346
  697   2HE   LYS  90          2HE       LYS  90   4.310  14.514  -3.837
  698   1HZ   LYS  90          1HZ       LYS  90   6.731  13.508  -5.230
  699   2HZ   LYS  90          2HZ       LYS  90   6.471  15.106  -4.742
  700   3HZ   LYS  90          3HZ       LYS  90   5.492  14.419  -5.937
  701    H    GLY  91           H        GLY  91   8.750  10.710   1.070
  702   1HA   GLY  91          1HA       GLY  91  10.924   9.293  -0.226
  703   2HA   GLY  91          2HA       GLY  91  10.943   9.979   1.391
  704    H    ILE  92           H        ILE  92   8.377   8.602   2.039
  705    HA   ILE  92           HA       ILE  92   9.502   6.239   3.139
  706    HB   ILE  92           HB       ILE  92   6.577   6.946   2.894
  707   1HG1  ILE  92          1HG1      ILE  92   7.789   8.745   4.011
  708   2HG1  ILE  92          2HG1      ILE  92   6.804   7.867   5.174
  709   1HG2  ILE  92          1HG2      ILE  92   6.304   5.472   4.837
  710   2HG2  ILE  92          2HG2      ILE  92   8.019   5.073   4.764
  711   3HG2  ILE  92          3HG2      ILE  92   6.949   4.612   3.441
  712   1HD1  ILE  92          1HD1      ILE  92   9.776   7.621   4.785
  713   2HD1  ILE  92          2HD1      ILE  92   8.818   6.638   5.890
  714   3HD1  ILE  92          3HD1      ILE  92   8.941   8.378   6.139
  715    H    ALA  93           H        ALA  93   7.438   6.910   0.363
  716    HA   ALA  93           HA       ALA  93   6.842   4.210  -0.267
  717   1HB   ALA  93          1HB       ALA  93   6.896   6.597  -2.111
  718   2HB   ALA  93          2HB       ALA  93   5.532   6.124  -1.098
  719   3HB   ALA  93          3HB       ALA  93   6.073   5.066  -2.401
  720    H    ASN  94           H        ASN  94   9.637   6.133  -0.655
  721    HA   ASN  94           HA       ASN  94  10.742   4.607  -2.848
  722   1HB   ASN  94          1HB       ASN  94  11.254   6.998  -2.635
  723   2HB   ASN  94          2HB       ASN  94  12.001   6.706  -1.068
  724   1HD2  ASN  94          1HD2      ASN  94  12.311   6.358  -4.505
  725   2HD2  ASN  94          2HD2      ASN  94  13.988   5.944  -4.517
  726    H    GLU  95           H        GLU  95  10.902   4.660   0.631
  727    HA   GLU  95           HA       GLU  95  13.244   3.055   0.889
  728   1HB   GLU  95          1HB       GLU  95  11.843   4.599   2.606
  729   2HB   GLU  95          2HB       GLU  95  11.225   3.016   3.061
  730   1HG   GLU  95          1HG       GLU  95  14.110   3.879   3.043
  731   2HG   GLU  95          2HG       GLU  95  13.093   3.627   4.460
  732    H    CYS  96           H        CYS  96   9.868   2.394   0.414
  733    HA   CYS  96           HA       CYS  96   9.979  -0.345   1.267
  734   1HB   CYS  96          1HB       CYS  96   7.885   0.860  -0.536
  735   2HB   CYS  96          2HB       CYS  96   7.719  -0.500   0.565
  736    H    ILE  97           H        ILE  97  10.716   1.355  -1.645
  737    HA   ILE  97           HA       ILE  97  10.379  -0.846  -3.443
  738    HB   ILE  97           HB       ILE  97  12.042   1.654  -3.799
  739   1HG1  ILE  97          1HG1      ILE  97   9.227   1.080  -4.751
  740   2HG1  ILE  97          2HG1      ILE  97   9.616   2.064  -3.344
  741   1HG2  ILE  97          1HG2      ILE  97  12.694  -0.093  -5.345
  742   2HG2  ILE  97          2HG2      ILE  97  11.817   1.174  -6.205
  743   3HG2  ILE  97          3HG2      ILE  97  11.011  -0.344  -5.809
  744   1HD1  ILE  97          1HD1      ILE  97   9.126   3.450  -5.271
  745   2HD1  ILE  97          2HD1      ILE  97  10.407   2.657  -6.186
  746   3HD1  ILE  97          3HD1      ILE  97  10.808   3.639  -4.778
  747    H    GLU  98           H        GLU  98  13.225   0.681  -1.940
  748    HA   GLU  98           HA       GLU  98  15.087  -1.159  -3.033
  749   1HB   GLU  98          1HB       GLU  98  16.610  -0.240  -1.234
  750   2HB   GLU  98          2HB       GLU  98  15.933   0.946  -2.341
  751   1HG   GLU  98          1HG       GLU  98  14.277   1.575  -0.680
  752   2HG   GLU  98          2HG       GLU  98  14.905   0.351   0.424
  753    H    ASN  99           H        ASN  99  13.364  -0.968   0.038
  754    HA   ASN  99           HA       ASN  99  14.631  -3.052   1.387
  755   1HB   ASN  99          1HB       ASN  99  13.169  -1.643   2.623
  756   2HB   ASN  99          2HB       ASN  99  11.817  -1.977   1.544
  757   1HD2  ASN  99          1HD2      ASN  99  10.729  -3.931   1.706
  758   2HD2  ASN  99          2HD2      ASN  99  10.867  -4.946   3.096
  759    H    ALA 100           H        ALA 100  11.746  -3.140  -0.697
  760    HA   ALA 100           HA       ALA 100  11.507  -5.994  -0.513
  761   1HB   ALA 100          1HB       ALA 100   9.725  -5.759  -2.156
  762   2HB   ALA 100          2HB       ALA 100  10.179  -4.076  -2.423
  763   3HB   ALA 100          3HB       ALA 100   9.542  -4.579  -0.859
  764    H    LYS 101           H        LYS 101  13.416  -3.878  -2.265
  765    HA   LYS 101           HA       LYS 101  14.569  -3.958  -4.245
  766   1HB   LYS 101          1HB       LYS 101  15.852  -6.403  -4.064
  767   2HB   LYS 101          2HB       LYS 101  16.384  -4.880  -3.369
  768   1HG   LYS 101          1HG       LYS 101  16.466  -6.171  -1.512
  769   2HG   LYS 101          2HG       LYS 101  14.787  -5.651  -1.399
  770   1HD   LYS 101          1HD       LYS 101  14.133  -7.729  -2.601
  771   2HD   LYS 101          2HD       LYS 101  15.815  -8.258  -2.487
  772   1HE   LYS 101          1HE       LYS 101  14.298  -7.414  -0.051
  773   2HE   LYS 101          2HE       LYS 101  14.138  -9.041  -0.693
  774   1HZ   LYS 101          1HZ       LYS 101  15.837  -8.924   1.021
  775   2HZ   LYS 101          2HZ       LYS 101  16.684  -7.762   0.131
  776   3HZ   LYS 101          3HZ       LYS 101  16.523  -9.334  -0.471
  777    H    GLY 102           H        GLY 102  11.876  -4.993  -4.634
  778   1HA   GLY 102          1HA       GLY 102  10.667  -6.033  -6.280
  779   2HA   GLY 102          2HA       GLY 102  12.130  -5.943  -7.248
  780    H    GLU 103           H        GLU 103  10.618  -7.857  -4.660
  781    HA   GLU 103           HA       GLU 103  12.260 -10.118  -4.940
  782   1HB   GLU 103          1HB       GLU 103   9.481  -9.732  -3.854
  783   2HB   GLU 103          2HB       GLU 103  10.235 -11.317  -3.894
  784   1HG   GLU 103          1HG       GLU 103  11.361  -8.898  -2.505
  785   2HG   GLU 103          2HG       GLU 103  10.471 -10.202  -1.722
  786    H    THR 104           H        THR 104  11.447 -12.299  -5.680
  787    HA   THR 104           HA       THR 104  10.708 -12.082  -8.447
  788    HB   THR 104           HB       THR 104  10.947 -14.542  -8.489
  789    HG1  THR 104           1HG      THR 104  10.280 -15.105  -6.425
  790   1HG2  THR 104          1HG2      THR 104  13.339 -14.621  -7.973
  791   2HG2  THR 104          2HG2      THR 104  13.196 -13.119  -7.059
  792   3HG2  THR 104          3HG2      THR 104  12.921 -13.122  -8.802
  793    H    ASP 105           H        ASP 105   9.177 -13.298  -5.505
  794    HA   ASP 105           HA       ASP 105   6.793 -14.050  -6.998
  795   1HB   ASP 105          1HB       ASP 105   7.641 -15.545  -5.222
  796   2HB   ASP 105          2HB       ASP 105   7.369 -14.272  -4.039
  797    H    GLU 106           H        GLU 106   4.810 -13.084  -6.802
  798    HA   GLU 106           HA       GLU 106   4.676 -10.344  -6.409
  799   1HB   GLU 106          1HB       GLU 106   3.004 -11.473  -7.709
  800   2HB   GLU 106          2HB       GLU 106   2.493 -12.427  -6.324
  801   1HG   GLU 106          1HG       GLU 106   0.894 -10.684  -6.767
  802   2HG   GLU 106          2HG       GLU 106   1.697 -10.386  -5.228
  803    H    CYS 107           H        CYS 107   3.054 -12.722  -4.291
  804    HA   CYS 107           HA       CYS 107   2.457 -11.039  -2.215
  805   1HB   CYS 107          1HB       CYS 107   3.073 -13.985  -2.248
  806   2HB   CYS 107          2HB       CYS 107   2.588 -13.152  -0.775
  807    H    ASN 108           H        ASN 108   5.520 -12.657  -2.884
  808    HA   ASN 108           HA       ASN 108   6.795 -12.112  -0.443
  809   1HB   ASN 108          1HB       ASN 108   7.656 -13.545  -2.399
  810   2HB   ASN 108          2HB       ASN 108   8.194 -12.031  -3.121
  811   1HD2  ASN 108          1HD2      ASN 108   9.790 -14.269  -2.280
  812   2HD2  ASN 108          2HD2      ASN 108  10.882 -13.680  -1.077
  813    H    ILE 109           H        ILE 109   6.720 -10.291  -3.484
  814    HA   ILE 109           HA       ILE 109   8.071  -8.012  -2.653
  815    HB   ILE 109           HB       ILE 109   6.362  -8.793  -4.882
  816   1HG1  ILE 109          1HG1      ILE 109   8.607  -6.785  -4.645
  817   2HG1  ILE 109          2HG1      ILE 109   8.795  -8.500  -4.983
  818   1HG2  ILE 109          1HG2      ILE 109   4.898  -7.031  -4.155
  819   2HG2  ILE 109          2HG2      ILE 109   5.766  -6.503  -5.596
  820   3HG2  ILE 109          3HG2      ILE 109   6.253  -5.912  -4.008
  821   1HD1  ILE 109          1HD1      ILE 109   8.994  -7.229  -7.014
  822   2HD1  ILE 109          2HD1      ILE 109   7.421  -6.483  -6.732
  823   3HD1  ILE 109          3HD1      ILE 109   7.529  -8.211  -7.063
  824    H    GLY 110           H        GLY 110   4.755  -9.039  -2.214
  825   1HA   GLY 110          1HA       GLY 110   3.650  -6.554  -1.452
  826   2HA   GLY 110          2HA       GLY 110   2.974  -8.140  -1.100
  827    H    ASN 111           H        ASN 111   4.562  -9.336   0.594
  828    HA   ASN 111           HA       ASN 111   4.079  -8.019   3.016
  829   1HB   ASN 111          1HB       ASN 111   4.307 -10.466   2.818
  830   2HB   ASN 111          2HB       ASN 111   6.024 -10.278   2.497
  831   1HD2  ASN 111          1HD2      ASN 111   4.179  -8.416   4.860
  832   2HD2  ASN 111          2HD2      ASN 111   4.936  -9.090   6.235
  833    H    LYS 112           H        LYS 112   6.764  -7.828   0.859
  834    HA   LYS 112           HA       LYS 112   8.519  -6.653   2.851
  835   1HB   LYS 112          1HB       LYS 112   8.888  -7.131  -0.107
  836   2HB   LYS 112          2HB       LYS 112  10.119  -6.462   0.954
  837   1HG   LYS 112          1HG       LYS 112   8.863  -9.176   1.298
  838   2HG   LYS 112          2HG       LYS 112  10.403  -8.874   0.493
  839   1HD   LYS 112          1HD       LYS 112  11.320  -7.949   2.547
  840   2HD   LYS 112          2HD       LYS 112   9.768  -8.171   3.358
  841   1HE   LYS 112          1HE       LYS 112   9.945 -10.583   3.059
  842   2HE   LYS 112          2HE       LYS 112  11.473 -10.378   2.205
  843   1HZ   LYS 112          1HZ       LYS 112  11.797 -11.005   4.525
  844   2HZ   LYS 112          2HZ       LYS 112  10.976  -9.618   5.034
  845   3HZ   LYS 112          3HZ       LYS 112  12.446  -9.475   4.212
  846    H    TYR 113           H        TYR 113   6.439  -5.612   0.238
  847    HA   TYR 113           HA       TYR 113   7.522  -2.933   0.192
  848   1HB   TYR 113          1HB       TYR 113   6.561  -4.102  -1.826
  849   2HB   TYR 113          2HB       TYR 113   4.970  -3.900  -1.100
  850    HD1  TYR 113           1HD      TYR 113   3.835  -1.809  -1.191
  851    HD2  TYR 113           2HD      TYR 113   7.872  -2.096  -2.499
  852    HE1  TYR 113           1HE      TYR 113   3.667   0.435  -2.182
  853    HE2  TYR 113           2HE      TYR 113   7.718   0.147  -3.493
  854    HH   TYR 113           HH       TYR 113   5.156   2.276  -2.840
  855    H    THR 114           H        THR 114   4.228  -4.169   0.844
  856    HA   THR 114           HA       THR 114   3.199  -1.831   1.914
  857    HB   THR 114           HB       THR 114   1.873  -3.885   1.313
  858    HG1  THR 114           1HG      THR 114   1.332  -2.008   2.965
  859   1HG2  THR 114          1HG2      THR 114   3.337  -5.437   2.684
  860   2HG2  THR 114          2HG2      THR 114   1.597  -5.654   2.874
  861   3HG2  THR 114          3HG2      THR 114   2.522  -4.803   4.111
  862    H    ASP 115           H        ASP 115   5.215  -4.251   3.428
  863    HA   ASP 115           HA       ASP 115   4.804  -3.693   6.118
  864   1HB   ASP 115          1HB       ASP 115   6.141  -5.576   5.510
  865   2HB   ASP 115          2HB       ASP 115   7.290  -4.559   4.642
  866    H    CYS 116           H        CYS 116   7.407  -2.386   4.064
  867    HA   CYS 116           HA       CYS 116   8.508  -0.606   5.840
  868   1HB   CYS 116          1HB       CYS 116   9.788  -0.630   3.978
  869   2HB   CYS 116          2HB       CYS 116   8.409  -0.866   2.908
  870    H    TYR 117           H        TYR 117   5.632  -0.179   3.852
  871    HA   TYR 117           HA       TYR 117   5.287   2.580   4.300
  872   1HB   TYR 117          1HB       TYR 117   3.994   0.635   2.820
  873   2HB   TYR 117          2HB       TYR 117   2.796   1.068   4.035
  874    HD1  TYR 117           1HD      TYR 117   1.214   2.438   3.061
  875    HD2  TYR 117           2HD      TYR 117   5.320   3.102   2.159
  876    HE1  TYR 117           1HE      TYR 117   0.601   4.425   1.751
  877    HE2  TYR 117           2HE      TYR 117   4.716   5.093   0.849
  878    HH   TYR 117           HH       TYR 117   1.654   6.523   0.982
  879    H    ILE 118           H        ILE 118   4.359  -0.254   6.143
  880    HA   ILE 118           HA       ILE 118   2.759   1.230   8.038
  881    HB   ILE 118           HB       ILE 118   3.781  -1.611   8.199
  882   1HG1  ILE 118          1HG1      ILE 118   2.355  -1.211   6.214
  883   2HG1  ILE 118          2HG1      ILE 118   1.597  -2.292   7.376
  884   1HG2  ILE 118          1HG2      ILE 118   3.155  -0.760  10.372
  885   2HG2  ILE 118          2HG2      ILE 118   1.951  -1.923   9.819
  886   3HG2  ILE 118          3HG2      ILE 118   1.609  -0.195   9.738
  887   1HD1  ILE 118          1HD1      ILE 118   0.179  -0.500   8.162
  888   2HD1  ILE 118          2HD1      ILE 118   0.024  -0.682   6.414
  889   3HD1  ILE 118          3HD1      ILE 118   0.985   0.638   7.083
  890    H    GLU 119           H        GLU 119   6.061   0.172   7.737
  891    HA   GLU 119           HA       GLU 119   6.759   0.290  10.480
  892   1HB   GLU 119          1HB       GLU 119   8.456   0.482   7.993
  893   2HB   GLU 119          2HB       GLU 119   9.106   0.374   9.622
  894   1HG   GLU 119          1HG       GLU 119   7.990  -1.795   9.905
  895   2HG   GLU 119          2HG       GLU 119   7.402  -1.689   8.247
  896    H    LYS 120           H        LYS 120   7.562   2.569   7.833
  897    HA   LYS 120           HA       LYS 120   8.369   4.543   9.796
  898   1HB   LYS 120          1HB       LYS 120   8.294   4.827   6.797
  899   2HB   LYS 120          2HB       LYS 120   9.163   5.843   7.937
  900   1HG   LYS 120          1HG       LYS 120  10.926   4.568   7.481
  901   2HG   LYS 120          2HG       LYS 120  10.149   3.342   8.487
  902   1HD   LYS 120          1HD       LYS 120   9.031   2.449   6.481
  903   2HD   LYS 120          2HD       LYS 120   9.890   3.633   5.496
  904   1HE   LYS 120          1HE       LYS 120  11.029   1.508   5.386
  905   2HE   LYS 120          2HE       LYS 120  12.027   2.669   6.260
  906   1HZ   LYS 120          1HZ       LYS 120  12.003   0.522   7.360
  907   2HZ   LYS 120          2HZ       LYS 120  10.318   0.580   7.499
  908   3HZ   LYS 120          3HZ       LYS 120  11.273   1.695   8.340
  909    H    LEU 121           H        LEU 121   5.820   4.237   7.326
  910    HA   LEU 121           HA       LEU 121   4.716   6.793   8.236
  911   1HB   LEU 121          1HB       LEU 121   5.078   6.481   5.828
  912   2HB   LEU 121          2HB       LEU 121   3.981   5.116   5.844
  913    HG   LEU 121           HG       LEU 121   2.129   6.595   6.461
  914   1HD1  LEU 121          1HD1      LEU 121   2.421   9.022   6.399
  915   2HD1  LEU 121          2HD1      LEU 121   4.159   8.809   6.186
  916   3HD1  LEU 121          3HD1      LEU 121   3.383   8.290   7.682
  917   1HD2  LEU 121          1HD2      LEU 121   2.565   6.133   4.113
  918   2HD2  LEU 121          2HD2      LEU 121   3.671   7.504   4.036
  919   3HD2  LEU 121          3HD2      LEU 121   1.951   7.773   4.324
  920    H    PHE 122           H        PHE 122   4.160   3.440   8.627
  921    HA   PHE 122           HA       PHE 122   2.536   2.284   9.729
  922   1HB   PHE 122          1HB       PHE 122   2.367   3.625  11.573
  923   2HB   PHE 122          2HB       PHE 122   2.072   5.076  10.627
  924    HD1  PHE 122           1HD      PHE 122   0.469   1.960  11.836
  925    HD2  PHE 122           2HD      PHE 122  -0.085   5.925  10.396
  926    HE1  PHE 122           1HE      PHE 122  -1.924   1.814  12.370
  927    HE2  PHE 122           2HE      PHE 122  -2.482   5.789  10.930
  928    HZ   PHE 122           HZ       PHE 122  -3.408   3.733  11.917
  929    H    SER 123           H        SER 123   1.866   4.442   7.224
  930    HA   SER 123           HA       SER 123  -0.879   4.264   6.858
  931   1HB   SER 123          1HB       SER 123   0.529   5.766   5.545
  932   2HB   SER 123          2HB       SER 123   1.304   4.388   4.765
  933    HG   SER 123           HG       SER 123  -1.005   5.620   4.135
  934   1H4   TSD 124          1H4       TSP 124  -0.984  -0.620   1.907
  935   2H4   TSD 124          2H4       TSP 124  -1.442  -0.534   3.592
  936   3H4   TSD 124          3H4       TSP 124  -0.434   0.715   2.897
  937   1H5   TSD 124          1H5       TSP 124  -1.822   2.928   3.351
  938   2H5   TSD 124          2H5       TSP 124  -3.250   2.348   4.177
  939   3H5   TSD 124          3H5       TSP 124  -3.408   3.261   2.694
  940   1H6   TSD 124          1H6       TSP 124  -4.946   0.160   1.772
  941   2H6   TSD 124          2H6       TSP 124  -4.680   0.286   3.495
  942   3H6   TSD 124          3H6       TSP 124  -3.982  -1.042   2.598
  943   1D3   TSD 124          1D3       TSP 124  -3.540   1.980   0.236
  944   2D3   TSD 124          2D3       TSP 124  -1.791   2.029   0.327
  945   1D2   TSD 124          1D2       TSP 124  -3.440  -0.428  -0.345
  946   2D2   TSD 124          2D2       TSP 124  -1.680  -0.363  -0.275
  Start of MODEL   14
    1    HA   ILE   1           HA       ILE   1  -1.676  15.755  10.693
    2    HB   ILE   1           HB       ILE   1  -0.071  15.338   8.876
    3   1HG1  ILE   1          1HG1      ILE   1  -1.585  13.972   7.429
    4   2HG1  ILE   1          2HG1      ILE   1  -2.519  13.563   8.863
    5   1HG2  ILE   1          1HG2      ILE   1   0.473  13.020   8.235
    6   2HG2  ILE   1          2HG2      ILE   1  -0.291  12.455   9.721
    7   3HG2  ILE   1          3HG2      ILE   1   1.147  13.475   9.799
    8   1HD1  ILE   1          1HD1      ILE   1  -3.008  15.948   9.192
    9   2HD1  ILE   1          2HD1      ILE   1  -3.599  15.336   7.646
   10   3HD1  ILE   1          3HD1      ILE   1  -2.129  16.312   7.707
   11    H    ASP   2           H        ASP   2  -3.563  14.582  10.757
   12    HA   ASP   2           HA       ASP   2  -3.734  12.558  12.752
   13   1HB   ASP   2          1HB       ASP   2  -5.521  14.237  12.311
   14   2HB   ASP   2          2HB       ASP   2  -5.854  13.434  10.780
   15    H    GLN   3           H        GLN   3  -4.148  10.393  12.571
   16    HA   GLN   3           HA       GLN   3  -3.050   9.011  10.390
   17   1HB   GLN   3          1HB       GLN   3  -4.859   8.047  12.608
   18   2HB   GLN   3          2HB       GLN   3  -4.039   6.985  11.473
   19   1HG   GLN   3          1HG       GLN   3  -2.763   7.010  13.462
   20   2HG   GLN   3          2HG       GLN   3  -1.873   7.946  12.263
   21   1HE2  GLN   3          1HE2      GLN   3  -3.740   8.070  15.196
   22   2HE2  GLN   3          2HE2      GLN   3  -3.296   9.677  15.649
   23    H    ASP   4           H        ASP   4  -6.125  10.403  10.760
   24    HA   ASP   4           HA       ASP   4  -7.706   8.603   9.266
   25   1HB   ASP   4          1HB       ASP   4  -8.685  10.355  10.672
   26   2HB   ASP   4          2HB       ASP   4  -8.014  11.594   9.616
   27    H    THR   5           H        THR   5  -5.641  11.296   8.341
   28    HA   THR   5           HA       THR   5  -6.389  11.642   5.690
   29    HB   THR   5           HB       THR   5  -4.684  12.974   7.082
   30    HG1  THR   5           1HG      THR   5  -4.033  13.858   5.213
   31   1HG2  THR   5          1HG2      THR   5  -2.346  12.391   6.744
   32   2HG2  THR   5          2HG2      THR   5  -2.814  10.951   5.841
   33   3HG2  THR   5          3HG2      THR   5  -3.183  11.071   7.561
   34    H    VAL   6           H        VAL   6  -4.531   9.096   7.151
   35    HA   VAL   6           HA       VAL   6  -3.599   8.084   4.598
   36    HB   VAL   6           HB       VAL   6  -3.358   6.760   7.297
   37   1HG1  VAL   6          1HG1      VAL   6  -1.447   5.625   6.281
   38   2HG1  VAL   6          2HG1      VAL   6  -1.758   6.458   4.759
   39   3HG1  VAL   6          3HG1      VAL   6  -2.932   5.302   5.388
   40   1HG2  VAL   6          1HG2      VAL   6  -1.110   7.778   7.395
   41   2HG2  VAL   6          2HG2      VAL   6  -2.406   8.973   7.457
   42   3HG2  VAL   6          3HG2      VAL   6  -1.505   8.726   5.962
   43    H    VAL   7           H        VAL   7  -5.415   6.589   7.284
   44    HA   VAL   7           HA       VAL   7  -6.297   4.376   5.817
   45    HB   VAL   7           HB       VAL   7  -7.609   5.628   8.231
   46   1HG1  VAL   7          1HG1      VAL   7  -8.497   3.368   8.632
   47   2HG1  VAL   7          2HG1      VAL   7  -7.812   2.841   7.093
   48   3HG1  VAL   7          3HG1      VAL   7  -9.088   4.058   7.119
   49   1HG2  VAL   7          1HG2      VAL   7  -5.251   5.120   8.617
   50   2HG2  VAL   7          2HG2      VAL   7  -5.506   3.470   8.048
   51   3HG2  VAL   7          3HG2      VAL   7  -6.292   4.024   9.527
   52    H    ALA   8           H        ALA   8  -8.290   7.147   6.867
   53    HA   ALA   8           HA       ALA   8 -10.588   6.483   5.487
   54   1HB   ALA   8          1HB       ALA   8 -10.427   8.226   7.219
   55   2HB   ALA   8          2HB       ALA   8 -11.290   8.768   5.779
   56   3HB   ALA   8          3HB       ALA   8  -9.624   9.279   6.055
   57    H    LYS   9           H        LYS   9  -7.672   7.948   4.198
   58    HA   LYS   9           HA       LYS   9  -9.045   8.718   1.750
   59   1HB   LYS   9          1HB       LYS   9  -6.183   8.986   2.645
   60   2HB   LYS   9          2HB       LYS   9  -6.722   9.430   1.033
   61   1HG   LYS   9          1HG       LYS   9  -7.823  10.601   3.579
   62   2HG   LYS   9          2HG       LYS   9  -6.566  11.345   2.590
   63   1HD   LYS   9          1HD       LYS   9  -9.340  10.659   1.618
   64   2HD   LYS   9          2HD       LYS   9  -8.832  12.260   2.158
   65   1HE   LYS   9          1HE       LYS   9  -7.108  12.274   0.393
   66   2HE   LYS   9          2HE       LYS   9  -7.698  10.710  -0.169
   67   1HZ   LYS   9          1HZ       LYS   9  -9.238  13.248  -0.118
   68   2HZ   LYS   9          2HZ       LYS   9  -9.856  11.749  -0.598
   69   3HZ   LYS   9          3HZ       LYS   9  -8.621  12.479  -1.493
   70    H    TYR  10           H        TYR  10  -6.208   6.667   2.485
   71    HA   TYR  10           HA       TYR  10  -5.952   5.490  -0.003
   72   1HB   TYR  10          1HB       TYR  10  -5.251   4.595   2.766
   73   2HB   TYR  10          2HB       TYR  10  -5.067   3.468   1.427
   74    HD1  TYR  10           1HD      TYR  10  -3.796   4.544  -0.680
   75    HD2  TYR  10           2HD      TYR  10  -3.405   5.848   3.351
   76    HE1  TYR  10           1HE      TYR  10  -1.606   5.526  -1.216
   77    HE2  TYR  10           2HE      TYR  10  -1.217   6.836   2.826
   78    HH   TYR  10           HH       TYR  10  -0.108   7.262  -0.362
   79    H    MET  11           H        MET  11  -8.410   5.020   2.334
   80    HA   MET  11           HA       MET  11  -9.243   2.440   1.314
   81   1HB   MET  11          1HB       MET  11 -10.221   4.279   3.469
   82   2HB   MET  11          2HB       MET  11 -11.240   2.963   2.905
   83   1HG   MET  11          1HG       MET  11  -8.473   2.687   4.056
   84   2HG   MET  11          2HG       MET  11  -9.983   2.335   4.890
   85   1HE   MET  11          1HE       MET  11 -11.328  -0.738   2.867
   86   2HE   MET  11          2HE       MET  11 -11.706   0.964   2.609
   87   3HE   MET  11          3HE       MET  11 -11.601   0.322   4.248
   88    H    GLU  12           H        GLU  12 -10.843   5.618   1.609
   89    HA   GLU  12           HA       GLU  12 -12.987   4.984  -0.101
   90   1HB   GLU  12          1HB       GLU  12 -13.121   6.798   1.510
   91   2HB   GLU  12          2HB       GLU  12 -11.837   7.668   0.679
   92   1HG   GLU  12          1HG       GLU  12 -13.247   7.986  -1.253
   93   2HG   GLU  12          2HG       GLU  12 -14.519   7.007  -0.522
   94    H    TYR  13           H        TYR  13  -9.775   6.135  -0.752
   95    HA   TYR  13           HA       TYR  13 -10.170   7.251  -3.299
   96   1HB   TYR  13          1HB       TYR  13  -8.082   7.269  -1.731
   97   2HB   TYR  13          2HB       TYR  13  -7.650   5.789  -2.574
   98    HD1  TYR  13           1HD      TYR  13  -6.963   9.141  -2.496
   99    HD2  TYR  13           2HD      TYR  13  -8.057   6.122  -5.288
  100    HE1  TYR  13           1HE      TYR  13  -5.974  10.470  -4.313
  101    HE2  TYR  13           2HE      TYR  13  -7.071   7.441  -7.112
  102    HH   TYR  13           HH       TYR  13  -5.037  10.084  -6.578
  103    H    LEU  14           H        LEU  14  -9.295   3.957  -2.307
  104    HA   LEU  14           HA       LEU  14 -10.017   3.041  -5.013
  105   1HB   LEU  14          1HB       LEU  14  -7.947   1.813  -3.194
  106   2HB   LEU  14          2HB       LEU  14  -8.338   1.303  -4.825
  107    HG   LEU  14           HG       LEU  14  -7.161   3.992  -4.128
  108   1HD1  LEU  14          1HD1      LEU  14  -5.068   3.108  -5.024
  109   2HD1  LEU  14          2HD1      LEU  14  -5.816   1.524  -5.216
  110   3HD1  LEU  14          3HD1      LEU  14  -5.593   2.202  -3.604
  111   1HD2  LEU  14          1HD2      LEU  14  -8.458   3.980  -6.192
  112   2HD2  LEU  14          2HD2      LEU  14  -7.539   2.590  -6.773
  113   3HD2  LEU  14          3HD2      LEU  14  -6.736   4.141  -6.530
  114    H    MET  15           H        MET  15 -11.784   3.276  -2.764
  115    HA   MET  15           HA       MET  15 -12.150   0.944  -1.304
  116   1HB   MET  15          1HB       MET  15 -13.346   3.238  -1.152
  117   2HB   MET  15          2HB       MET  15 -14.480   2.545  -2.301
  118   1HG   MET  15          1HG       MET  15 -13.800   1.266   0.330
  119   2HG   MET  15          2HG       MET  15 -15.142   2.386   0.106
  120   1HE   MET  15          1HE       MET  15 -17.494   0.462  -2.309
  121   2HE   MET  15          2HE       MET  15 -16.257   1.637  -2.759
  122   3HE   MET  15          3HE       MET  15 -17.256   1.910  -1.331
  123    HA   PRO  16           HA       PRO  16 -15.016  -0.762  -4.779
  124   1HB   PRO  16          1HB       PRO  16 -14.922   0.346  -7.232
  125   2HB   PRO  16          2HB       PRO  16 -15.978   0.975  -5.961
  126   1HG   PRO  16          1HG       PRO  16 -13.293   1.965  -6.852
  127   2HG   PRO  16          2HG       PRO  16 -14.764   2.891  -6.499
  128   1HD   PRO  16          1HD       PRO  16 -12.725   2.640  -4.728
  129   2HD   PRO  16          2HD       PRO  16 -14.418   2.811  -4.225
  130    H    ASP  17           H        ASP  17 -11.764   0.026  -4.966
  131    HA   ASP  17           HA       ASP  17 -11.233  -2.078  -6.955
  132   1HB   ASP  17          1HB       ASP  17  -9.453   0.195  -6.051
  133   2HB   ASP  17          2HB       ASP  17  -9.010  -1.037  -7.229
  134    H    ILE  18           H        ILE  18 -11.051  -1.299  -3.654
  135    HA   ILE  18           HA       ILE  18  -8.857  -3.128  -3.100
  136    HB   ILE  18           HB       ILE  18 -10.536  -1.358  -1.338
  137   1HG1  ILE  18          1HG1      ILE  18  -7.548  -1.473  -1.785
  138   2HG1  ILE  18          2HG1      ILE  18  -8.633  -0.405  -2.668
  139   1HG2  ILE  18          1HG2      ILE  18  -9.152  -2.146   0.563
  140   2HG2  ILE  18          2HG2      ILE  18  -8.505  -3.415  -0.476
  141   3HG2  ILE  18          3HG2      ILE  18 -10.224  -3.388  -0.080
  142   1HD1  ILE  18          1HD1      ILE  18  -7.521   0.771  -0.866
  143   2HD1  ILE  18          2HD1      ILE  18  -8.158  -0.384   0.303
  144   3HD1  ILE  18          3HD1      ILE  18  -9.258   0.683  -0.572
  145    H    MET  19           H        MET  19 -12.361  -2.928  -2.574
  146    HA   MET  19           HA       MET  19 -12.693  -5.217  -1.032
  147   1HB   MET  19          1HB       MET  19 -14.589  -4.153  -3.132
  148   2HB   MET  19          2HB       MET  19 -15.007  -5.274  -1.846
  149   1HG   MET  19          1HG       MET  19 -14.303  -3.493  -0.218
  150   2HG   MET  19          2HG       MET  19 -14.205  -2.394  -1.591
  151   1HE   MET  19          1HE       MET  19 -16.304  -1.860  -3.181
  152   2HE   MET  19          2HE       MET  19 -17.934  -2.459  -2.876
  153   3HE   MET  19          3HE       MET  19 -16.662  -3.577  -3.369
  154    HA   PRO  20           HA       PRO  20 -13.307  -7.629  -5.316
  155   1HB   PRO  20          1HB       PRO  20 -11.197  -6.119  -6.786
  156   2HB   PRO  20          2HB       PRO  20 -12.690  -6.844  -7.392
  157   1HG   PRO  20          1HG       PRO  20 -12.511  -4.214  -7.063
  158   2HG   PRO  20          2HG       PRO  20 -14.003  -5.079  -6.647
  159   1HD   PRO  20          1HD       PRO  20 -11.871  -4.002  -4.853
  160   2HD   PRO  20          2HD       PRO  20 -13.629  -4.051  -4.615
  161    H    CYS  21           H        CYS  21 -10.134  -6.189  -4.560
  162    HA   CYS  21           HA       CYS  21  -8.566  -8.413  -5.169
  163   1HB   CYS  21          1HB       CYS  21  -8.074  -6.250  -3.118
  164   2HB   CYS  21          2HB       CYS  21  -6.860  -7.388  -3.690
  165    H    ALA  22           H        ALA  22  -9.744  -7.410  -1.939
  166    HA   ALA  22           HA       ALA  22  -8.763  -9.498  -0.436
  167   1HB   ALA  22          1HB       ALA  22 -11.458  -8.178  -0.112
  168   2HB   ALA  22          2HB       ALA  22  -9.928  -7.562   0.509
  169   3HB   ALA  22          3HB       ALA  22 -10.584  -9.076   1.128
  170    H    ASP  23           H        ASP  23 -11.726  -9.442  -2.379
  171    HA   ASP  23           HA       ASP  23 -12.390 -12.164  -1.650
  172   1HB   ASP  23          1HB       ASP  23 -13.632 -10.267  -3.657
  173   2HB   ASP  23          2HB       ASP  23 -14.264 -11.863  -3.267
  174    H    GLU  24           H        GLU  24 -10.463 -10.594  -3.947
  175    HA   GLU  24           HA       GLU  24 -10.677 -12.268  -6.174
  176   1HB   GLU  24          1HB       GLU  24  -9.466 -10.053  -6.029
  177   2HB   GLU  24          2HB       GLU  24  -8.143 -10.913  -5.264
  178   1HG   GLU  24          1HG       GLU  24  -7.720 -10.582  -7.626
  179   2HG   GLU  24          2HG       GLU  24  -7.871 -12.296  -7.245
  180    H    LEU  25           H        LEU  25  -8.265 -12.413  -3.506
  181    HA   LEU  25           HA       LEU  25  -7.507 -15.074  -4.477
  182   1HB   LEU  25          1HB       LEU  25  -6.357 -13.481  -2.184
  183   2HB   LEU  25          2HB       LEU  25  -5.659 -14.912  -2.921
  184    HG   LEU  25           HG       LEU  25  -6.021 -12.271  -4.344
  185   1HD1  LEU  25          1HD1      LEU  25  -3.589 -13.507  -3.067
  186   2HD1  LEU  25          2HD1      LEU  25  -4.377 -11.995  -2.622
  187   3HD1  LEU  25          3HD1      LEU  25  -3.548 -12.132  -4.171
  188   1HD2  LEU  25          1HD2      LEU  25  -4.556 -14.780  -5.136
  189   2HD2  LEU  25          2HD2      LEU  25  -4.556 -13.262  -6.032
  190   3HD2  LEU  25          3HD2      LEU  25  -6.051 -14.178  -5.850
  191    H    HIS  26           H        HIS  26  -8.741 -13.524  -1.509
  192    HA   HIS  26           HA       HIS  26 -10.366 -15.649  -0.781
  193   1HB   HIS  26          1HB       HIS  26  -7.990 -16.689  -0.514
  194   2HB   HIS  26          2HB       HIS  26  -7.933 -15.745   0.969
  195    HD1  HIS  26           1HD      HIS  26  -8.354 -17.327   2.825
  196    HD2  HIS  26           2HD      HIS  26 -10.877 -18.022  -0.404
  197    HE1  HIS  26           1HE      HIS  26  -9.905 -19.163   3.565
  198    HE2  HIS  26           2HE      HIS  26 -11.451 -19.537   1.611
  199    H    ILE  27           H        ILE  27  -8.021 -13.670   1.008
  200    HA   ILE  27           HA       ILE  27 -10.161 -12.192   2.341
  201    HB   ILE  27           HB       ILE  27  -9.084 -12.765   4.577
  202   1HG1  ILE  27          1HG1      ILE  27  -7.627 -14.578   2.693
  203   2HG1  ILE  27          2HG1      ILE  27  -7.043 -13.725   4.121
  204   1HG2  ILE  27          1HG2      ILE  27 -10.399 -14.773   4.854
  205   2HG2  ILE  27          2HG2      ILE  27 -10.416 -15.047   3.111
  206   3HG2  ILE  27          3HG2      ILE  27 -11.266 -13.661   3.796
  207   1HD1  ILE  27          1HD1      ILE  27  -8.683 -16.246   4.090
  208   2HD1  ILE  27          2HD1      ILE  27  -8.238 -15.356   5.545
  209   3HD1  ILE  27          3HD1      ILE  27  -6.986 -16.081   4.536
  210    H    SER  28           H        SER  28  -9.499 -10.232   3.200
  211    HA   SER  28           HA       SER  28  -6.859  -9.284   2.458
  212   1HB   SER  28          1HB       SER  28  -7.703  -7.086   3.246
  213   2HB   SER  28          2HB       SER  28  -8.763  -7.816   2.044
  214    HG   SER  28           HG       SER  28  -9.988  -8.620   3.911
  215    H    GLU  29           H        GLU  29  -6.006  -7.596   4.293
  216    HA   GLU  29           HA       GLU  29  -5.006  -9.260   6.351
  217   1HB   GLU  29          1HB       GLU  29  -4.822  -6.510   7.142
  218   2HB   GLU  29          2HB       GLU  29  -3.546  -7.592   6.610
  219   1HG   GLU  29          1HG       GLU  29  -3.320  -5.989   5.038
  220   2HG   GLU  29          2HG       GLU  29  -4.532  -6.982   4.237
  221    H    ASP  30           H        ASP  30  -7.905  -7.535   5.983
  222    HA   ASP  30           HA       ASP  30  -8.490  -7.046   8.738
  223   1HB   ASP  30          1HB       ASP  30 -10.359  -7.264   6.364
  224   2HB   ASP  30          2HB       ASP  30 -10.787  -6.623   7.947
  225    H    ILE  31           H        ILE  31  -9.707  -9.446   6.401
  226    HA   ILE  31           HA       ILE  31 -10.978 -11.008   8.446
  227    HB   ILE  31           HB       ILE  31 -10.327 -11.893   5.631
  228   1HG1  ILE  31          1HG1      ILE  31 -11.513  -9.751   5.536
  229   2HG1  ILE  31          2HG1      ILE  31 -12.556 -11.061   4.994
  230   1HG2  ILE  31          1HG2      ILE  31 -12.454 -12.755   7.585
  231   2HG2  ILE  31          2HG2      ILE  31 -11.035 -13.683   7.098
  232   3HG2  ILE  31          3HG2      ILE  31 -12.303 -13.329   5.925
  233   1HD1  ILE  31          1HD1      ILE  31 -13.771  -9.496   6.385
  234   2HD1  ILE  31          2HD1      ILE  31 -12.625  -9.752   7.702
  235   3HD1  ILE  31          3HD1      ILE  31 -13.667 -11.071   7.170
  236    H    ALA  32           H        ALA  32  -7.819 -10.737   7.206
  237    HA   ALA  32           HA       ALA  32  -6.776 -13.293   7.399
  238   1HB   ALA  32          1HB       ALA  32  -5.504 -11.379   6.560
  239   2HB   ALA  32          2HB       ALA  32  -4.615 -12.232   7.821
  240   3HB   ALA  32          3HB       ALA  32  -5.428 -10.710   8.189
  241    H    THR  33           H        THR  33  -7.343 -10.887   9.907
  242    HA   THR  33           HA       THR  33  -7.608 -12.894  11.936
  243    HB   THR  33           HB       THR  33  -5.365 -10.899  12.289
  244    HG1  THR  33           1HG      THR  33  -4.459 -13.383  12.326
  245   1HG2  THR  33          1HG2      THR  33  -4.840 -12.219  14.275
  246   2HG2  THR  33          2HG2      THR  33  -6.204 -13.284  13.939
  247   3HG2  THR  33          3HG2      THR  33  -6.488 -11.595  14.359
  248    H    ASN  34           H        ASN  34  -9.301 -12.211  13.052
  249    HA   ASN  34           HA       ASN  34 -10.481  -9.718  12.865
  250   1HB   ASN  34          1HB       ASN  34 -11.664 -10.430  15.045
  251   2HB   ASN  34          2HB       ASN  34 -11.877 -11.423  13.607
  252   1HD2  ASN  34          1HD2      ASN  34  -8.947 -11.386  15.519
  253   2HD2  ASN  34          2HD2      ASN  34  -9.109 -12.988  16.142
  254    H    ILE  35           H        ILE  35  -7.642 -10.413  14.552
  255    HA   ILE  35           HA       ILE  35  -7.960  -7.919  16.083
  256    HB   ILE  35           HB       ILE  35  -6.335  -8.956  17.766
  257   1HG1  ILE  35          1HG1      ILE  35  -6.946 -11.550  17.848
  258   2HG1  ILE  35          2HG1      ILE  35  -7.054 -11.325  16.106
  259   1HG2  ILE  35          1HG2      ILE  35  -8.173  -9.982  19.022
  260   2HG2  ILE  35          2HG2      ILE  35  -9.155  -9.998  17.558
  261   3HG2  ILE  35          3HG2      ILE  35  -8.656  -8.462  18.268
  262   1HD1  ILE  35          1HD1      ILE  35  -4.766 -10.518  16.053
  263   2HD1  ILE  35          2HD1      ILE  35  -4.857 -12.116  16.793
  264   3HD1  ILE  35          3HD1      ILE  35  -4.656 -10.686  17.806
  265    H    GLN  36           H        GLN  36  -6.915  -8.000  13.534
  266    HA   GLN  36           HA       GLN  36  -4.233  -6.998  14.014
  267   1HB   GLN  36          1HB       GLN  36  -4.819  -9.202  12.029
  268   2HB   GLN  36          2HB       GLN  36  -3.340  -8.254  12.037
  269   1HG   GLN  36          1HG       GLN  36  -4.304 -10.021  14.274
  270   2HG   GLN  36          2HG       GLN  36  -3.039 -10.419  13.111
  271   1HE2  GLN  36          1HE2      GLN  36  -2.889 -10.253  16.003
  272   2HE2  GLN  36          2HE2      GLN  36  -1.675  -9.076  16.362
  273    H    ALA  37           H        ALA  37  -3.975  -5.152  12.947
  274    HA   ALA  37           HA       ALA  37  -6.060  -4.205  11.217
  275   1HB   ALA  37          1HB       ALA  37  -4.979  -2.775  12.891
  276   2HB   ALA  37          2HB       ALA  37  -4.886  -2.099  11.264
  277   3HB   ALA  37          3HB       ALA  37  -3.471  -2.873  11.981
  278    H    ALA  38           H        ALA  38  -2.526  -4.561  10.763
  279    HA   ALA  38           HA       ALA  38  -2.995  -5.262   7.967
  280   1HB   ALA  38          1HB       ALA  38  -2.751  -2.760   8.134
  281   2HB   ALA  38          2HB       ALA  38  -1.598  -3.567   7.070
  282   3HB   ALA  38          3HB       ALA  38  -1.095  -3.044   8.677
  283    H    LYS  39           H        LYS  39  -0.053  -4.555   7.547
  284    HA   LYS  39           HA       LYS  39   1.025  -7.099   7.975
  285   1HB   LYS  39          1HB       LYS  39   2.416  -4.455   7.515
  286   2HB   LYS  39          2HB       LYS  39   3.226  -6.016   7.479
  287   1HG   LYS  39          1HG       LYS  39   2.827  -5.576   5.242
  288   2HG   LYS  39          2HG       LYS  39   1.490  -6.636   5.683
  289   1HD   LYS  39          1HD       LYS  39   0.139  -4.534   6.100
  290   2HD   LYS  39          2HD       LYS  39   1.450  -3.648   5.322
  291   1HE   LYS  39          1HE       LYS  39   1.163  -5.108   3.334
  292   2HE   LYS  39          2HE       LYS  39  -0.245  -5.822   4.114
  293   1HZ   LYS  39          1HZ       LYS  39   0.071  -2.962   3.380
  294   2HZ   LYS  39          2HZ       LYS  39  -1.274  -3.628   4.160
  295   3HZ   LYS  39          3HZ       LYS  39  -0.899  -4.092   2.577
  296    H    ASN  40           H        ASN  40   0.171  -4.950  10.225
  297    HA   ASN  40           HA       ASN  40   2.356  -5.156  12.057
  298   1HB   ASN  40          1HB       ASN  40   0.534  -3.305  11.909
  299   2HB   ASN  40          2HB       ASN  40  -0.460  -4.430  12.833
  300   1HD2  ASN  40          1HD2      ASN  40   3.002  -4.134  13.140
  301   2HD2  ASN  40          2HD2      ASN  40   3.003  -3.473  14.737
  302    H    GLY  41           H        GLY  41   1.330  -7.645  11.002
  303   1HA   GLY  41          1HA       GLY  41   1.595  -9.670  12.370
  304   2HA   GLY  41          2HA       GLY  41   0.528  -8.921  13.542
  305    H    ALA  42           H        ALA  42  -0.648  -8.240  10.489
  306    HA   ALA  42           HA       ALA  42  -2.735 -10.253  10.760
  307   1HB   ALA  42          1HB       ALA  42  -2.467  -8.109   8.654
  308   2HB   ALA  42          2HB       ALA  42  -3.302  -7.903  10.194
  309   3HB   ALA  42          3HB       ALA  42  -3.899  -9.072   9.014
  310    H    ASP  43           H        ASP  43   0.000 -11.021  10.083
  311    HA   ASP  43           HA       ASP  43   1.061 -12.538   8.799
  312   1HB   ASP  43          1HB       ASP  43  -1.630 -12.957   7.550
  313   2HB   ASP  43          2HB       ASP  43  -0.246 -14.014   7.359
  314    H    MET  44           H        MET  44   2.087 -10.535   7.981
  315    HA   MET  44           HA       MET  44   1.488  -9.157   5.676
  316   1HB   MET  44          1HB       MET  44   3.791  -8.574   5.553
  317   2HB   MET  44          2HB       MET  44   3.414  -8.764   7.261
  318   1HG   MET  44          1HG       MET  44   4.316 -11.120   7.055
  319   2HG   MET  44          2HG       MET  44   4.934 -10.638   5.472
  320   1HE   MET  44          1HE       MET  44   5.116 -10.032   9.360
  321   2HE   MET  44          2HE       MET  44   4.643  -8.452   8.734
  322   3HE   MET  44          3HE       MET  44   6.240  -8.676   9.449
  323    H    SER  45           H        SER  45   2.455 -12.431   6.034
  324    HA   SER  45           HA       SER  45   3.693 -13.037   3.644
  325   1HB   SER  45          1HB       SER  45   2.896 -15.338   3.995
  326   2HB   SER  45          2HB       SER  45   3.476 -14.624   5.501
  327    HG   SER  45           HG       SER  45   1.420 -14.421   6.211
  328    H    GLN  46           H        GLN  46   0.173 -13.038   4.321
  329    HA   GLN  46           HA       GLN  46  -0.353 -13.588   1.517
  330   1HB   GLN  46          1HB       GLN  46  -1.660 -14.630   3.418
  331   2HB   GLN  46          2HB       GLN  46  -2.379 -13.049   3.684
  332   1HG   GLN  46          1HG       GLN  46  -3.810 -14.525   2.350
  333   2HG   GLN  46          2HG       GLN  46  -3.343 -13.067   1.477
  334   1HE2  GLN  46          1HE2      GLN  46  -1.952 -13.220  -0.275
  335   2HE2  GLN  46          2HE2      GLN  46  -1.585 -14.727  -1.038
  336    H    LEU  47           H        LEU  47  -0.066 -10.883   3.588
  337    HA   LEU  47           HA       LEU  47  -1.815  -9.127   2.216
  338   1HB   LEU  47          1HB       LEU  47   0.610  -8.279   3.777
  339   2HB   LEU  47          2HB       LEU  47  -0.876  -7.385   3.515
  340    HG   LEU  47           HG       LEU  47  -0.422  -9.734   5.333
  341   1HD1  LEU  47          1HD1      LEU  47   0.130  -7.639   6.322
  342   2HD1  LEU  47          2HD1      LEU  47  -1.416  -8.162   6.989
  343   3HD1  LEU  47          3HD1      LEU  47  -1.369  -6.911   5.747
  344   1HD2  LEU  47          1HD2      LEU  47  -2.840  -9.662   5.830
  345   2HD2  LEU  47          2HD2      LEU  47  -2.494 -10.195   4.185
  346   3HD2  LEU  47          3HD2      LEU  47  -3.058  -8.550   4.478
  347    H    GLY  48           H        GLY  48   1.472 -10.148   1.696
  348   1HA   GLY  48          1HA       GLY  48   2.201  -8.039  -0.071
  349   2HA   GLY  48          2HA       GLY  48   3.017  -9.586   0.085
  350    H    CYS  49           H        CYS  49  -0.274  -9.959  -0.500
  351    HA   CYS  49           HA       CYS  49   0.093 -10.081  -3.408
  352   1HB   CYS  49          1HB       CYS  49  -0.725 -12.254  -1.553
  353   2HB   CYS  49          2HB       CYS  49  -1.487 -12.175  -3.134
  354    H    LEU  50           H        LEU  50  -2.400 -10.720  -0.947
  355    HA   LEU  50           HA       LEU  50  -4.616  -9.992  -2.406
  356   1HB   LEU  50          1HB       LEU  50  -3.950 -10.319   0.401
  357   2HB   LEU  50          2HB       LEU  50  -5.130  -9.047   0.173
  358    HG   LEU  50           HG       LEU  50  -6.496 -10.845   0.512
  359   1HD1  LEU  50          1HD1      LEU  50  -6.054 -11.132  -2.446
  360   2HD1  LEU  50          2HD1      LEU  50  -6.992  -9.841  -1.696
  361   3HD1  LEU  50          3HD1      LEU  50  -7.514 -11.519  -1.534
  362   1HD2  LEU  50          1HD2      LEU  50  -4.418 -12.503  -0.882
  363   2HD2  LEU  50          2HD2      LEU  50  -6.007 -13.125  -0.440
  364   3HD2  LEU  50          3HD2      LEU  50  -4.905 -12.554   0.811
  365    H    LYS  51           H        LYS  51  -2.549  -7.965  -0.379
  366    HA   LYS  51           HA       LYS  51  -3.930  -5.562  -1.164
  367   1HB   LYS  51          1HB       LYS  51  -1.679  -6.233   0.668
  368   2HB   LYS  51          2HB       LYS  51  -1.748  -4.594   0.033
  369   1HG   LYS  51          1HG       LYS  51  -2.838  -4.871   2.242
  370   2HG   LYS  51          2HG       LYS  51  -3.908  -4.240   0.991
  371   1HD   LYS  51          1HD       LYS  51  -5.020  -5.938   2.370
  372   2HD   LYS  51          2HD       LYS  51  -4.885  -6.451   0.689
  373   1HE   LYS  51          1HE       LYS  51  -3.029  -7.880   1.216
  374   2HE   LYS  51          2HE       LYS  51  -2.973  -7.265   2.866
  375   1HZ   LYS  51          1HZ       LYS  51  -4.069  -9.453   2.649
  376   2HZ   LYS  51          2HZ       LYS  51  -5.284  -8.730   1.720
  377   3HZ   LYS  51          3HZ       LYS  51  -5.067  -8.271   3.331
  378    H    ALA  52           H        ALA  52  -1.326  -7.500  -2.310
  379    HA   ALA  52           HA       ALA  52   0.089  -5.439  -3.690
  380   1HB   ALA  52          1HB       ALA  52   1.067  -7.659  -3.161
  381   2HB   ALA  52          2HB       ALA  52   1.210  -7.230  -4.867
  382   3HB   ALA  52          3HB       ALA  52  -0.016  -8.386  -4.348
  383    H    CYS  53           H        CYS  53  -2.854  -7.046  -4.134
  384    HA   CYS  53           HA       CYS  53  -3.130  -6.928  -6.950
  385   1HB   CYS  53          1HB       CYS  53  -4.613  -8.394  -5.878
  386   2HB   CYS  53          2HB       CYS  53  -5.030  -7.215  -4.643
  387    H    VAL  54           H        VAL  54  -4.170  -4.783  -4.322
  388    HA   VAL  54           HA       VAL  54  -5.511  -2.895  -5.914
  389    HB   VAL  54           HB       VAL  54  -4.080  -2.380  -3.303
  390   1HG1  VAL  54          1HG1      VAL  54  -6.365  -0.941  -4.645
  391   2HG1  VAL  54          2HG1      VAL  54  -4.721  -0.337  -4.439
  392   3HG1  VAL  54          3HG1      VAL  54  -5.748  -0.594  -3.030
  393   1HG2  VAL  54          1HG2      VAL  54  -6.908  -3.311  -3.793
  394   2HG2  VAL  54          2HG2      VAL  54  -6.223  -2.871  -2.227
  395   3HG2  VAL  54          3HG2      VAL  54  -5.602  -4.273  -3.098
  396    H    MET  55           H        MET  55  -2.151  -3.448  -5.310
  397    HA   MET  55           HA       MET  55  -1.153  -0.890  -5.959
  398   1HB   MET  55          1HB       MET  55   0.212  -3.563  -6.324
  399   2HB   MET  55          2HB       MET  55   0.999  -1.994  -6.229
  400   1HG   MET  55          1HG       MET  55  -0.147  -1.847  -3.908
  401   2HG   MET  55          2HG       MET  55  -0.298  -3.594  -4.069
  402   1HE   MET  55          1HE       MET  55   1.815  -5.194  -4.503
  403   2HE   MET  55          2HE       MET  55   3.490  -4.644  -4.435
  404   3HE   MET  55          3HE       MET  55   2.456  -4.161  -5.780
  405    H    LYS  56           H        LYS  56  -1.655  -3.808  -7.919
  406    HA   LYS  56           HA       LYS  56  -0.711  -2.681 -10.342
  407   1HB   LYS  56          1HB       LYS  56  -2.585  -5.007  -9.870
  408   2HB   LYS  56          2HB       LYS  56  -1.864  -4.602 -11.422
  409   1HG   LYS  56          1HG       LYS  56   0.361  -4.979 -10.468
  410   2HG   LYS  56          2HG       LYS  56  -0.376  -5.410  -8.929
  411   1HD   LYS  56          1HD       LYS  56  -0.984  -6.823 -11.513
  412   2HD   LYS  56          2HD       LYS  56   0.308  -7.325 -10.421
  413   1HE   LYS  56          1HE       LYS  56  -2.629  -7.148  -9.777
  414   2HE   LYS  56          2HE       LYS  56  -1.679  -8.612 -10.006
  415   1HZ   LYS  56          1HZ       LYS  56  -1.266  -6.620  -7.850
  416   2HZ   LYS  56          2HZ       LYS  56  -0.367  -8.036  -8.068
  417   3HZ   LYS  56          3HZ       LYS  56  -2.007  -8.129  -7.663
  418    H    ARG  57           H        ARG  57  -3.739  -2.533  -8.673
  419    HA   ARG  57           HA       ARG  57  -5.453  -1.907 -10.808
  420   1HB   ARG  57          1HB       ARG  57  -5.585  -1.081  -7.901
  421   2HB   ARG  57          2HB       ARG  57  -6.895  -0.871  -9.055
  422   1HG   ARG  57          1HG       ARG  57  -5.746  -3.588  -8.694
  423   2HG   ARG  57          2HG       ARG  57  -6.805  -2.940  -7.441
  424   1HD   ARG  57          1HD       ARG  57  -7.938  -4.315  -9.221
  425   2HD   ARG  57          2HD       ARG  57  -8.609  -2.707  -8.962
  426    HE   ARG  57           HE       ARG  57  -7.087  -2.127 -10.970
  427   1HH1  ARG  57          1HH1      ARG  57  -8.794  -5.129 -10.508
  428   2HH1  ARG  57          2HH1      ARG  57  -8.973  -5.436 -12.203
  429   1HH2  ARG  57          1HH2      ARG  57  -7.321  -2.524 -13.204
  430   2HH2  ARG  57          2HH2      ARG  57  -8.136  -3.957 -13.734
  431    H    ILE  58           H        ILE  58  -3.343   0.112  -8.832
  432    HA   ILE  58           HA       ILE  58  -4.191   2.489 -10.321
  433    HB   ILE  58           HB       ILE  58  -2.785   3.740  -8.685
  434   1HG1  ILE  58          1HG1      ILE  58  -2.616   1.080  -7.252
  435   2HG1  ILE  58          2HG1      ILE  58  -1.283   1.810  -8.143
  436   1HG2  ILE  58          1HG2      ILE  58  -5.185   3.492  -8.371
  437   2HG2  ILE  58          2HG2      ILE  58  -4.348   3.490  -6.819
  438   3HG2  ILE  58          3HG2      ILE  58  -4.928   1.974  -7.511
  439   1HD1  ILE  58          1HD1      ILE  58  -2.646   2.992  -5.733
  440   2HD1  ILE  58          2HD1      ILE  58  -1.299   3.708  -6.617
  441   3HD1  ILE  58          3HD1      ILE  58  -1.077   2.188  -5.751
  442    H    GLU  59           H        GLU  59  -2.351   0.198 -11.207
  443    HA   GLU  59           HA       GLU  59  -0.505  -0.071 -12.498
  444   1HB   GLU  59          1HB       GLU  59  -0.989   2.877 -12.901
  445   2HB   GLU  59          2HB       GLU  59   0.262   1.991 -13.763
  446   1HG   GLU  59          1HG       GLU  59  -1.473   0.491 -14.668
  447   2HG   GLU  59          2HG       GLU  59  -2.700   1.468 -13.866
  448    H    MET  60           H        MET  60   0.297  -0.310 -10.088
  449    HA   MET  60           HA       MET  60   2.687   1.397  -9.840
  450   1HB   MET  60          1HB       MET  60   0.804   1.629  -8.054
  451   2HB   MET  60          2HB       MET  60   1.401   0.083  -7.464
  452   1HG   MET  60          1HG       MET  60   3.713   1.281  -7.500
  453   2HG   MET  60          2HG       MET  60   2.735   2.748  -7.484
  454   1HE   MET  60          1HE       MET  60   3.023  -0.392  -4.140
  455   2HE   MET  60          2HE       MET  60   4.142  -0.228  -5.492
  456   3HE   MET  60          3HE       MET  60   2.501  -0.811  -5.771
  457    H    LEU  61           H        LEU  61   1.729  -1.500 -10.774
  458    HA   LEU  61           HA       LEU  61   4.251  -2.753 -10.114
  459   1HB   LEU  61          1HB       LEU  61   2.873  -3.426  -8.228
  460   2HB   LEU  61          2HB       LEU  61   1.609  -3.973  -9.312
  461    HG   LEU  61           HG       LEU  61   3.151  -5.721 -10.171
  462   1HD1  LEU  61          1HD1      LEU  61   4.947  -4.736  -7.960
  463   2HD1  LEU  61          2HD1      LEU  61   5.272  -4.651  -9.692
  464   3HD1  LEU  61          3HD1      LEU  61   5.185  -6.218  -8.887
  465   1HD2  LEU  61          1HD2      LEU  61   1.531  -6.196  -8.392
  466   2HD2  LEU  61          2HD2      LEU  61   2.741  -5.761  -7.186
  467   3HD2  LEU  61          3HD2      LEU  61   2.997  -7.163  -8.226
  468    H    LYS  62           H        LYS  62   4.816  -2.916 -12.227
  469    HA   LYS  62           HA       LYS  62   2.921  -4.071 -14.125
  470   1HB   LYS  62          1HB       LYS  62   5.469  -2.536 -14.380
  471   2HB   LYS  62          2HB       LYS  62   4.959  -3.568 -15.707
  472   1HG   LYS  62          1HG       LYS  62   3.850  -1.766 -16.414
  473   2HG   LYS  62          2HG       LYS  62   2.669  -2.198 -15.176
  474   1HD   LYS  62          1HD       LYS  62   5.019  -0.488 -14.486
  475   2HD   LYS  62          2HD       LYS  62   3.610   0.224 -15.273
  476   1HE   LYS  62          1HE       LYS  62   2.200  -0.700 -13.452
  477   2HE   LYS  62          2HE       LYS  62   3.666  -1.266 -12.654
  478   1HZ   LYS  62          1HZ       LYS  62   4.432   1.052 -12.576
  479   2HZ   LYS  62          2HZ       LYS  62   2.991   0.823 -11.719
  480   3HZ   LYS  62          3HZ       LYS  62   2.959   1.556 -13.242
  481    H    GLY  63           H        GLY  63   2.889  -6.259 -13.721
  482   1HA   GLY  63          1HA       GLY  63   3.651  -8.430 -13.605
  483   2HA   GLY  63          2HA       GLY  63   4.699  -7.929 -14.923
  484    H    THR  64           H        THR  64   4.531  -7.414 -11.413
  485    HA   THR  64           HA       THR  64   5.992  -7.810  -9.731
  486    HB   THR  64           HB       THR  64   7.760  -9.347  -9.879
  487    HG1  THR  64           1HG      THR  64   8.312  -8.219 -12.159
  488   1HG2  THR  64          1HG2      THR  64   5.738 -10.176 -11.963
  489   2HG2  THR  64          2HG2      THR  64   5.569 -10.379 -10.219
  490   3HG2  THR  64          3HG2      THR  64   6.826 -11.256 -11.091
  491    H    GLU  65           H        GLU  65   6.082  -5.463 -11.529
  492    HA   GLU  65           HA       GLU  65   8.856  -4.621 -11.013
  493   1HB   GLU  65          1HB       GLU  65   6.859  -3.723 -13.069
  494   2HB   GLU  65          2HB       GLU  65   8.311  -2.817 -12.709
  495   1HG   GLU  65          1HG       GLU  65   9.685  -4.725 -13.351
  496   2HG   GLU  65          2HG       GLU  65   8.227  -5.653 -13.702
  497    H    LEU  66           H        LEU  66   9.005  -3.440  -9.241
  498    HA   LEU  66           HA       LEU  66   6.797  -2.125  -8.025
  499   1HB   LEU  66          1HB       LEU  66   9.758  -1.947  -7.483
  500   2HB   LEU  66          2HB       LEU  66   8.532  -1.182  -6.489
  501    HG   LEU  66           HG       LEU  66   8.820  -4.156  -6.932
  502   1HD1  LEU  66          1HD1      LEU  66  10.612  -3.200  -5.566
  503   2HD1  LEU  66          2HD1      LEU  66   9.538  -4.223  -4.613
  504   3HD1  LEU  66          3HD1      LEU  66   9.408  -2.467  -4.505
  505   1HD2  LEU  66          1HD2      LEU  66   6.505  -3.565  -6.587
  506   2HD2  LEU  66          2HD2      LEU  66   6.933  -2.567  -5.197
  507   3HD2  LEU  66          3HD2      LEU  66   7.141  -4.316  -5.125
  508    H    TYR  67           H        TYR  67   6.200  -0.025  -7.971
  509    HA   TYR  67           HA       TYR  67   7.843   2.005  -9.266
  510   1HB   TYR  67          1HB       TYR  67   5.151   1.109 -10.235
  511   2HB   TYR  67          2HB       TYR  67   5.630   2.793 -10.424
  512    HD1  TYR  67           1HD      TYR  67   6.189  -0.637 -11.541
  513    HD2  TYR  67           2HD      TYR  67   7.490   3.399 -11.896
  514    HE1  TYR  67           1HE      TYR  67   7.429  -1.221 -13.584
  515    HE2  TYR  67           2HE      TYR  67   8.730   2.826 -13.940
  516    HH   TYR  67           HH       TYR  67   9.742   0.795 -14.971
  517    H    VAL  68           H        VAL  68   6.778   4.233  -8.983
  518    HA   VAL  68           HA       VAL  68   5.026   4.401  -6.669
  519    HB   VAL  68           HB       VAL  68   6.628   6.156  -5.705
  520   1HG1  VAL  68          1HG1      VAL  68   7.838   4.458  -4.418
  521   2HG1  VAL  68          2HG1      VAL  68   7.352   3.236  -5.592
  522   3HG1  VAL  68          3HG1      VAL  68   6.133   4.044  -4.606
  523   1HG2  VAL  68          1HG2      VAL  68   9.006   5.756  -6.154
  524   2HG2  VAL  68          2HG2      VAL  68   8.146   6.299  -7.594
  525   3HG2  VAL  68          3HG2      VAL  68   8.561   4.596  -7.406
  526    H    GLU  69           H        GLU  69   4.975   5.144  -9.578
  527    HA   GLU  69           HA       GLU  69   5.092   8.003  -9.669
  528   1HB   GLU  69          1HB       GLU  69   3.909   6.005 -11.603
  529   2HB   GLU  69          2HB       GLU  69   4.024   7.733 -11.910
  530   1HG   GLU  69          1HG       GLU  69   6.475   7.578 -11.681
  531   2HG   GLU  69          2HG       GLU  69   6.317   5.834 -11.481
  532    HA   PRO  70           HA       PRO  70   0.252   7.638  -9.644
  533   1HB   PRO  70          1HB       PRO  70  -0.770   5.386  -8.475
  534   2HB   PRO  70          2HB       PRO  70  -0.539   5.575 -10.216
  535   1HG   PRO  70          1HG       PRO  70   1.177   4.163  -8.218
  536   2HG   PRO  70          2HG       PRO  70   0.744   3.680  -9.867
  537   1HD   PRO  70          1HD       PRO  70   3.139   4.765  -9.254
  538   2HD   PRO  70          2HD       PRO  70   2.345   5.031 -10.820
  539    H    VAL  71           H        VAL  71   1.814   5.845  -6.978
  540    HA   VAL  71           HA       VAL  71   0.183   6.772  -4.910
  541    HB   VAL  71           HB       VAL  71   2.139   6.310  -3.400
  542   1HG1  VAL  71          1HG1      VAL  71   0.483   4.603  -3.941
  543   2HG1  VAL  71          2HG1      VAL  71   2.089   3.896  -3.773
  544   3HG1  VAL  71          3HG1      VAL  71   1.404   4.155  -5.376
  545   1HG2  VAL  71          1HG2      VAL  71   3.994   6.827  -4.794
  546   2HG2  VAL  71          2HG2      VAL  71   3.463   5.690  -6.033
  547   3HG2  VAL  71          3HG2      VAL  71   4.053   5.094  -4.482
  548    H    TYR  72           H        TYR  72   3.199   8.184  -6.177
  549    HA   TYR  72           HA       TYR  72   3.488  10.239  -4.338
  550   1HB   TYR  72          1HB       TYR  72   4.204  10.025  -7.247
  551   2HB   TYR  72          2HB       TYR  72   4.509  11.508  -6.358
  552    HD1  TYR  72           1HD      TYR  72   6.941  11.055  -7.042
  553    HD2  TYR  72           2HD      TYR  72   4.774   8.540  -4.378
  554    HE1  TYR  72           1HE      TYR  72   9.056  10.114  -6.218
  555    HE2  TYR  72           2HE      TYR  72   6.883   7.594  -3.547
  556    HH   TYR  72           HH       TYR  72   9.902   8.979  -4.195
  557    H    LYS  73           H        LYS  73   1.124   9.821  -6.798
  558    HA   LYS  73           HA       LYS  73   0.307  12.601  -6.827
  559   1HB   LYS  73          1HB       LYS  73   0.163  10.747  -8.729
  560   2HB   LYS  73          2HB       LYS  73  -1.391  10.427  -7.972
  561   1HG   LYS  73          1HG       LYS  73  -0.561  13.163  -8.894
  562   2HG   LYS  73          2HG       LYS  73  -1.404  12.011  -9.930
  563   1HD   LYS  73          1HD       LYS  73  -3.275  11.950  -8.383
  564   2HD   LYS  73          2HD       LYS  73  -2.423  13.031  -7.280
  565   1HE   LYS  73          1HE       LYS  73  -4.106  14.209  -8.631
  566   2HE   LYS  73          2HE       LYS  73  -2.474  14.806  -8.923
  567   1HZ   LYS  73          1HZ       LYS  73  -3.677  14.545 -10.988
  568   2HZ   LYS  73          2HZ       LYS  73  -3.966  12.912 -10.657
  569   3HZ   LYS  73          3HZ       LYS  73  -2.388  13.451 -10.931
  570    H    MET  74           H        MET  74  -0.740   9.547  -5.415
  571    HA   MET  74           HA       MET  74  -3.234  10.462  -4.432
  572   1HB   MET  74          1HB       MET  74  -1.660   8.277  -3.109
  573   2HB   MET  74          2HB       MET  74  -3.397   8.397  -3.353
  574   1HG   MET  74          1HG       MET  74  -3.018   8.078  -5.780
  575   2HG   MET  74          2HG       MET  74  -1.315   7.808  -5.437
  576   1HE   MET  74          1HE       MET  74  -4.698   5.055  -3.929
  577   2HE   MET  74          2HE       MET  74  -4.973   6.439  -4.985
  578   3HE   MET  74          3HE       MET  74  -4.435   6.690  -3.325
  579    H    ILE  75           H        ILE  75  -0.045  10.055  -2.954
  580    HA   ILE  75           HA       ILE  75  -0.543  10.766  -0.358
  581    HB   ILE  75           HB       ILE  75   1.866  11.610  -1.976
  582   1HG1  ILE  75          1HG1      ILE  75   1.556   9.141  -0.266
  583   2HG1  ILE  75          2HG1      ILE  75   1.260   9.141  -2.001
  584   1HG2  ILE  75          1HG2      ILE  75   3.045  11.637   0.159
  585   2HG2  ILE  75          2HG2      ILE  75   1.550  11.225   0.998
  586   3HG2  ILE  75          3HG2      ILE  75   1.695  12.772   0.166
  587   1HD1  ILE  75          1HD1      ILE  75   3.859   9.800  -0.636
  588   2HD1  ILE  75          2HD1      ILE  75   3.574   9.860  -2.375
  589   3HD1  ILE  75          3HD1      ILE  75   3.478   8.321  -1.519
  590    H    GLU  76           H        GLU  76  -0.627  12.794  -3.162
  591    HA   GLU  76           HA       GLU  76  -0.206  15.302  -1.968
  592   1HB   GLU  76          1HB       GLU  76  -1.930  14.592  -4.347
  593   2HB   GLU  76          2HB       GLU  76  -1.439  16.223  -3.912
  594   1HG   GLU  76          1HG       GLU  76   0.924  15.529  -4.181
  595   2HG   GLU  76          2HG       GLU  76   0.357  13.961  -4.752
  596    H    VAL  77           H        VAL  77  -3.343  13.792  -2.807
  597    HA   VAL  77           HA       VAL  77  -4.745  15.667  -1.094
  598    HB   VAL  77           HB       VAL  77  -5.886  13.288  -2.566
  599   1HG1  VAL  77          1HG1      VAL  77  -7.330  14.174  -0.817
  600   2HG1  VAL  77          2HG1      VAL  77  -7.994  14.527  -2.412
  601   3HG1  VAL  77          3HG1      VAL  77  -7.179  15.795  -1.496
  602   1HG2  VAL  77          1HG2      VAL  77  -4.736  14.756  -4.136
  603   2HG2  VAL  77          2HG2      VAL  77  -5.621  16.144  -3.501
  604   3HG2  VAL  77          3HG2      VAL  77  -6.485  14.858  -4.345
  605    H    VAL  78           H        VAL  78  -3.853  12.293  -1.138
  606    HA   VAL  78           HA       VAL  78  -5.339  11.367   1.038
  607    HB   VAL  78           HB       VAL  78  -2.704  10.427  -0.117
  608   1HG1  VAL  78          1HG1      VAL  78  -2.738   9.609   2.131
  609   2HG1  VAL  78          2HG1      VAL  78  -3.209   8.278   1.075
  610   3HG1  VAL  78          3HG1      VAL  78  -4.433   9.146   1.997
  611   1HG2  VAL  78          1HG2      VAL  78  -4.597  10.272  -1.624
  612   2HG2  VAL  78          2HG2      VAL  78  -5.527   9.406  -0.400
  613   3HG2  VAL  78          3HG2      VAL  78  -4.091   8.665  -1.105
  614    H    HIS  79           H        HIS  79  -2.952  13.681   1.022
  615    HA   HIS  79           HA       HIS  79  -2.631  13.502   3.909
  616   1HB   HIS  79          1HB       HIS  79  -0.341  13.574   1.951
  617   2HB   HIS  79          2HB       HIS  79  -0.165  14.081   3.623
  618    HD1  HIS  79           1HD      HIS  79  -0.054  12.264   5.405
  619    HD2  HIS  79           2HD      HIS  79  -0.726  10.791   1.579
  620    HE1  HIS  79           1HE      HIS  79   0.267   9.776   5.577
  621    HE2  HIS  79           2HE      HIS  79  -0.252   8.896   3.276
  622    H    ALA  80           H        ALA  80  -4.270  15.231   2.539
  623    HA   ALA  80           HA       ALA  80  -3.081  17.703   1.873
  624   1HB   ALA  80          1HB       ALA  80  -5.896  17.163   2.810
  625   2HB   ALA  80          2HB       ALA  80  -5.327  17.070   1.143
  626   3HB   ALA  80          3HB       ALA  80  -5.332  18.617   1.986
  627    H    GLY  81           H        GLY  81  -2.534  19.449   3.056
  628   1HA   GLY  81          1HA       GLY  81  -3.319  20.622   5.247
  629   2HA   GLY  81          2HA       GLY  81  -2.660  19.163   5.974
  630    H    ASN  82           H        ASN  82  -0.356  18.660   4.960
  631    HA   ASN  82           HA       ASN  82   1.193  21.164   5.117
  632   1HB   ASN  82          1HB       ASN  82   1.918  18.406   6.118
  633   2HB   ASN  82          2HB       ASN  82   3.020  19.777   6.102
  634   1HD2  ASN  82          1HD2      ASN  82   2.688  21.475   7.530
  635   2HD2  ASN  82          2HD2      ASN  82   1.664  21.325   8.912
  636    H    ALA  83           H        ALA  83   3.059  21.339   3.822
  637    HA   ALA  83           HA       ALA  83   2.843  19.955   1.299
  638   1HB   ALA  83          1HB       ALA  83   4.590  21.477   0.544
  639   2HB   ALA  83          2HB       ALA  83   4.823  22.045   2.197
  640   3HB   ALA  83          3HB       ALA  83   3.300  22.355   1.366
  641    H    ASP  84           H        ASP  84   5.020  19.935   4.067
  642    HA   ASP  84           HA       ASP  84   6.948  18.258   2.727
  643   1HB   ASP  84          1HB       ASP  84   6.758  18.900   5.673
  644   2HB   ASP  84          2HB       ASP  84   8.140  18.212   4.821
  645    H    ASP  85           H        ASP  85   4.124  17.810   4.702
  646    HA   ASP  85           HA       ASP  85   4.623  15.226   5.657
  647   1HB   ASP  85          1HB       ASP  85   2.697  16.617   6.376
  648   2HB   ASP  85          2HB       ASP  85   1.955  16.376   4.797
  649    H    ILE  86           H        ILE  86   3.628  16.445   2.557
  650    HA   ILE  86           HA       ILE  86   3.037  13.887   1.402
  651    HB   ILE  86           HB       ILE  86   3.563  16.580   0.120
  652   1HG1  ILE  86          1HG1      ILE  86   0.945  15.124   0.532
  653   2HG1  ILE  86          2HG1      ILE  86   1.547  16.387   1.603
  654   1HG2  ILE  86          1HG2      ILE  86   4.048  14.803  -1.454
  655   2HG2  ILE  86          2HG2      ILE  86   2.542  15.603  -1.900
  656   3HG2  ILE  86          3HG2      ILE  86   2.502  14.031  -1.101
  657   1HD1  ILE  86          1HD1      ILE  86  -0.102  17.234   0.020
  658   2HD1  ILE  86          2HD1      ILE  86   0.923  16.728  -1.322
  659   3HD1  ILE  86          3HD1      ILE  86   1.473  17.988  -0.217
  660    H    GLN  87           H        GLN  87   5.783  15.972   1.799
  661    HA   GLN  87           HA       GLN  87   7.463  14.647  -0.100
  662   1HB   GLN  87          1HB       GLN  87   8.440  16.649   0.118
  663   2HB   GLN  87          2HB       GLN  87   7.582  16.977   1.614
  664   1HG   GLN  87          1HG       GLN  87   9.865  17.109   2.124
  665   2HG   GLN  87          2HG       GLN  87   9.312  15.570   2.779
  666   1HE2  GLN  87          1HE2      GLN  87   9.860  16.103  -0.625
  667   2HE2  GLN  87          2HE2      GLN  87  11.255  15.094  -0.761
  668    H    LEU  88           H        LEU  88   6.580  14.202   3.192
  669    HA   LEU  88           HA       LEU  88   8.863  12.655   3.954
  670   1HB   LEU  88          1HB       LEU  88   7.420  13.916   5.553
  671   2HB   LEU  88          2HB       LEU  88   6.136  12.763   5.244
  672    HG   LEU  88           HG       LEU  88   7.589  10.958   6.131
  673   1HD1  LEU  88          1HD1      LEU  88   9.427  13.242   6.834
  674   2HD1  LEU  88          2HD1      LEU  88   9.758  11.945   5.687
  675   3HD1  LEU  88          3HD1      LEU  88   9.592  11.582   7.404
  676   1HD2  LEU  88          1HD2      LEU  88   5.950  12.032   7.570
  677   2HD2  LEU  88          2HD2      LEU  88   7.117  13.285   7.990
  678   3HD2  LEU  88          3HD2      LEU  88   7.400  11.616   8.484
  679    H    VAL  89           H        VAL  89   5.489  11.883   3.115
  680    HA   VAL  89           HA       VAL  89   5.724   9.092   3.326
  681    HB   VAL  89           HB       VAL  89   3.871  10.620   1.493
  682   1HG1  VAL  89          1HG1      VAL  89   3.670   7.846   2.663
  683   2HG1  VAL  89          2HG1      VAL  89   3.979   8.247   0.973
  684   3HG1  VAL  89          3HG1      VAL  89   2.425   8.647   1.705
  685   1HG2  VAL  89          1HG2      VAL  89   2.259  10.546   3.311
  686   2HG2  VAL  89          2HG2      VAL  89   3.718  11.397   3.816
  687   3HG2  VAL  89          3HG2      VAL  89   3.436   9.737   4.345
  688    H    LYS  90           H        LYS  90   6.446  11.316   0.705
  689    HA   LYS  90           HA       LYS  90   6.708   9.467  -1.384
  690   1HB   LYS  90          1HB       LYS  90   7.416  12.235  -0.894
  691   2HB   LYS  90          2HB       LYS  90   8.657  11.420  -1.835
  692   1HG   LYS  90          1HG       LYS  90   7.424  11.607  -3.660
  693   2HG   LYS  90          2HG       LYS  90   6.115  10.714  -2.893
  694   1HD   LYS  90          1HD       LYS  90   5.232  12.747  -1.937
  695   2HD   LYS  90          2HD       LYS  90   6.582  13.664  -2.606
  696   1HE   LYS  90          1HE       LYS  90   4.613  12.107  -4.261
  697   2HE   LYS  90          2HE       LYS  90   4.463  13.825  -3.913
  698   1HZ   LYS  90          1HZ       LYS  90   6.558  14.216  -5.023
  699   2HZ   LYS  90          2HZ       LYS  90   5.499  13.412  -6.068
  700   3HZ   LYS  90          3HZ       LYS  90   6.752  12.562  -5.318
  701    H    GLY  91           H        GLY  91   8.895  10.445   1.176
  702   1HA   GLY  91          1HA       GLY  91  11.142   8.984   0.121
  703   2HA   GLY  91          2HA       GLY  91  11.038   9.746   1.704
  704    H    ILE  92           H        ILE  92   8.428   8.296   2.131
  705    HA   ILE  92           HA       ILE  92   9.437   6.104   3.579
  706    HB   ILE  92           HB       ILE  92   6.631   6.744   2.714
  707   1HG1  ILE  92          1HG1      ILE  92   8.070   7.076   5.300
  708   2HG1  ILE  92          2HG1      ILE  92   7.577   8.363   4.225
  709   1HG2  ILE  92          1HG2      ILE  92   5.916   5.107   4.433
  710   2HG2  ILE  92          2HG2      ILE  92   7.598   4.591   4.566
  711   3HG2  ILE  92          3HG2      ILE  92   6.727   4.376   3.049
  712   1HD1  ILE  92          1HD1      ILE  92   5.768   6.541   5.795
  713   2HD1  ILE  92          2HD1      ILE  92   5.230   7.771   4.652
  714   3HD1  ILE  92          3HD1      ILE  92   6.091   8.244   6.116
  715    H    ALA  93           H        ALA  93   7.862   6.349   0.424
  716    HA   ALA  93           HA       ALA  93   7.620   3.591  -0.080
  717   1HB   ALA  93          1HB       ALA  93   7.312   4.207  -2.401
  718   2HB   ALA  93          2HB       ALA  93   7.984   5.809  -2.094
  719   3HB   ALA  93          3HB       ALA  93   6.448   5.341  -1.362
  720    H    ASN  94           H        ASN  94  10.293   5.802  -0.351
  721    HA   ASN  94           HA       ASN  94  11.941   4.322  -2.077
  722   1HB   ASN  94          1HB       ASN  94  12.273   6.720  -1.374
  723   2HB   ASN  94          2HB       ASN  94  12.879   6.116   0.166
  724   1HD2  ASN  94          1HD2      ASN  94  13.478   6.406  -3.239
  725   2HD2  ASN  94          2HD2      ASN  94  15.149   5.978  -3.189
  726    H    GLU  95           H        GLU  95  11.571   4.250   1.446
  727    HA   GLU  95           HA       GLU  95  13.707   2.534   2.030
  728   1HB   GLU  95          1HB       GLU  95  12.451   3.803   3.739
  729   2HB   GLU  95          2HB       GLU  95  11.057   2.763   3.479
  730   1HG   GLU  95          1HG       GLU  95  12.293   2.125   5.474
  731   2HG   GLU  95          2HG       GLU  95  12.314   0.843   4.266
  732    H    CYS  96           H        CYS  96  10.386   1.864   1.079
  733    HA   CYS  96           HA       CYS  96  10.530  -0.952   1.452
  734   1HB   CYS  96          1HB       CYS  96   8.639   0.840  -0.064
  735   2HB   CYS  96          2HB       CYS  96   8.460  -0.912  -0.027
  736    H    ILE  97           H        ILE  97  11.099   1.175  -1.307
  737    HA   ILE  97           HA       ILE  97  11.268  -0.843  -3.278
  738    HB   ILE  97           HB       ILE  97  12.526   1.905  -3.220
  739   1HG1  ILE  97          1HG1      ILE  97  10.050   0.994  -4.685
  740   2HG1  ILE  97          2HG1      ILE  97   9.995   1.707  -3.078
  741   1HG2  ILE  97          1HG2      ILE  97  13.690   0.536  -4.827
  742   2HG2  ILE  97          2HG2      ILE  97  12.644   1.670  -5.681
  743   3HG2  ILE  97          3HG2      ILE  97  12.164  -0.019  -5.513
  744   1HD1  ILE  97          1HD1      ILE  97   9.510   3.339  -4.823
  745   2HD1  ILE  97          2HD1      ILE  97  11.090   3.036  -5.547
  746   3HD1  ILE  97          3HD1      ILE  97  10.979   3.755  -3.940
  747    H    GLU  98           H        GLU  98  13.419   0.099  -0.779
  748    HA   GLU  98           HA       GLU  98  15.797  -0.892  -2.100
  749   1HB   GLU  98          1HB       GLU  98  15.313   0.113   0.704
  750   2HB   GLU  98          2HB       GLU  98  16.881  -0.417   0.110
  751   1HG   GLU  98          1HG       GLU  98  15.265   1.846  -1.042
  752   2HG   GLU  98          2HG       GLU  98  16.623   2.021   0.068
  753    H    ASN  99           H        ASN  99  13.479  -2.047   0.284
  754    HA   ASN  99           HA       ASN  99  15.100  -4.432   0.747
  755   1HB   ASN  99          1HB       ASN  99  13.908  -4.774   2.684
  756   2HB   ASN  99          2HB       ASN  99  13.810  -3.023   2.555
  757   1HD2  ASN  99          1HD2      ASN  99  11.866  -2.066   1.946
  758   2HD2  ASN  99          2HD2      ASN  99  10.366  -2.920   2.024
  759    H    ALA 100           H        ALA 100  12.457  -3.407  -1.157
  760    HA   ALA 100           HA       ALA 100  11.508  -6.160  -1.524
  761   1HB   ALA 100          1HB       ALA 100   9.802  -4.476  -1.041
  762   2HB   ALA 100          2HB       ALA 100   9.577  -5.188  -2.639
  763   3HB   ALA 100          3HB       ALA 100  10.281  -3.578  -2.482
  764    H    LYS 101           H        LYS 101  13.363  -3.716  -3.015
  765    HA   LYS 101           HA       LYS 101  14.031  -3.340  -5.196
  766   1HB   LYS 101          1HB       LYS 101  15.263  -5.753  -5.772
  767   2HB   LYS 101          2HB       LYS 101  15.965  -4.391  -4.914
  768   1HG   LYS 101          1HG       LYS 101  16.395  -6.121  -3.472
  769   2HG   LYS 101          2HG       LYS 101  14.884  -5.491  -2.820
  770   1HD   LYS 101          1HD       LYS 101  13.707  -7.224  -4.237
  771   2HD   LYS 101          2HD       LYS 101  15.296  -7.939  -4.510
  772   1HE   LYS 101          1HE       LYS 101  14.121  -7.423  -1.786
  773   2HE   LYS 101          2HE       LYS 101  14.002  -8.960  -2.633
  774   1HZ   LYS 101          1HZ       LYS 101  16.533  -7.618  -1.853
  775   2HZ   LYS 101          2HZ       LYS 101  16.409  -9.109  -2.642
  776   3HZ   LYS 101          3HZ       LYS 101  15.838  -8.940  -1.059
  777    H    GLY 102           H        GLY 102  13.596  -6.800  -5.769
  778   1HA   GLY 102          1HA       GLY 102  11.231  -6.480  -7.343
  779   2HA   GLY 102          2HA       GLY 102  12.671  -6.579  -8.346
  780    H    GLU 103           H        GLU 103  10.882  -8.272  -5.800
  781    HA   GLU 103           HA       GLU 103  12.277 -10.732  -6.109
  782   1HB   GLU 103          1HB       GLU 103   9.643 -10.025  -4.819
  783   2HB   GLU 103          2HB       GLU 103  10.300 -11.653  -4.808
  784   1HG   GLU 103          1HG       GLU 103  11.601  -9.209  -3.631
  785   2HG   GLU 103          2HG       GLU 103  10.786 -10.490  -2.735
  786    H    THR 104           H        THR 104  11.620 -12.640  -7.118
  787    HA   THR 104           HA       THR 104  10.186 -12.259  -9.575
  788    HB   THR 104           HB       THR 104  10.667 -14.638  -9.999
  789    HG1  THR 104           1HG      THR 104  10.711 -14.874  -7.435
  790   1HG2  THR 104          1HG2      THR 104  12.364 -12.965 -10.549
  791   2HG2  THR 104          2HG2      THR 104  13.115 -14.473 -10.025
  792   3HG2  THR 104          3HG2      THR 104  13.033 -13.097  -8.923
  793    H    ASP 105           H        ASP 105   9.342 -13.269  -6.415
  794    HA   ASP 105           HA       ASP 105   6.912 -14.600  -7.367
  795   1HB   ASP 105          1HB       ASP 105   8.216 -15.788  -5.664
  796   2HB   ASP 105          2HB       ASP 105   8.068 -14.411  -4.580
  797    H    GLU 106           H        GLU 106   4.861 -13.889  -6.839
  798    HA   GLU 106           HA       GLU 106   4.453 -11.128  -6.694
  799   1HB   GLU 106          1HB       GLU 106   2.815 -12.739  -7.604
  800   2HB   GLU 106          2HB       GLU 106   2.502 -13.319  -5.974
  801   1HG   GLU 106          1HG       GLU 106   0.764 -11.802  -6.656
  802   2HG   GLU 106          2HG       GLU 106   1.704 -11.085  -5.349
  803    H    CYS 107           H        CYS 107   3.444 -13.464  -4.190
  804    HA   CYS 107           HA       CYS 107   2.937 -11.628  -2.194
  805   1HB   CYS 107          1HB       CYS 107   3.764 -14.515  -2.084
  806   2HB   CYS 107          2HB       CYS 107   3.455 -13.594  -0.615
  807    H    ASN 108           H        ASN 108   6.008 -12.734  -3.347
  808    HA   ASN 108           HA       ASN 108   7.488 -11.997  -1.008
  809   1HB   ASN 108          1HB       ASN 108   8.304 -12.640  -3.838
  810   2HB   ASN 108          2HB       ASN 108   9.469 -12.151  -2.611
  811   1HD2  ASN 108          1HD2      ASN 108  10.526 -14.122  -2.677
  812   2HD2  ASN 108          2HD2      ASN 108   9.844 -15.562  -2.009
  813    H    ILE 109           H        ILE 109   6.811 -10.472  -4.137
  814    HA   ILE 109           HA       ILE 109   8.370  -8.158  -3.682
  815    HB   ILE 109           HB       ILE 109   6.317  -8.972  -5.649
  816   1HG1  ILE 109          1HG1      ILE 109   8.956  -7.506  -5.803
  817   2HG1  ILE 109          2HG1      ILE 109   8.679  -9.209  -6.139
  818   1HG2  ILE 109          1HG2      ILE 109   6.077  -6.670  -6.541
  819   2HG2  ILE 109          2HG2      ILE 109   6.860  -6.061  -5.083
  820   3HG2  ILE 109          3HG2      ILE 109   5.310  -6.894  -4.970
  821   1HD1  ILE 109          1HD1      ILE 109   8.927  -7.991  -8.197
  822   2HD1  ILE 109          2HD1      ILE 109   7.636  -6.883  -7.732
  823   3HD1  ILE 109          3HD1      ILE 109   7.271  -8.579  -8.051
  824    H    GLY 110           H        GLY 110   4.976  -8.940  -3.080
  825   1HA   GLY 110          1HA       GLY 110   4.237  -6.317  -2.255
  826   2HA   GLY 110          2HA       GLY 110   3.310  -7.785  -2.002
  827    H    ASN 111           H        ASN 111   4.929  -9.296  -0.411
  828    HA   ASN 111           HA       ASN 111   4.429  -8.308   2.114
  829   1HB   ASN 111          1HB       ASN 111   4.863 -10.621   1.954
  830   2HB   ASN 111          2HB       ASN 111   6.418 -10.363   1.165
  831   1HD2  ASN 111          1HD2      ASN 111   5.328  -8.516   3.903
  832   2HD2  ASN 111          2HD2      ASN 111   6.445  -9.171   5.041
  833    H    LYS 112           H        LYS 112   7.638  -8.418   0.549
  834    HA   LYS 112           HA       LYS 112   9.036  -7.010   2.476
  835   1HB   LYS 112          1HB       LYS 112   9.442  -7.115  -0.509
  836   2HB   LYS 112          2HB       LYS 112  10.602  -6.411   0.607
  837   1HG   LYS 112          1HG       LYS 112   9.665  -9.247   0.875
  838   2HG   LYS 112          2HG       LYS 112  11.013  -8.798  -0.169
  839   1HD   LYS 112          1HD       LYS 112  12.203  -9.216   1.716
  840   2HD   LYS 112          2HD       LYS 112  11.769  -7.542   2.069
  841   1HE   LYS 112          1HE       LYS 112   9.839  -8.330   3.367
  842   2HE   LYS 112          2HE       LYS 112  10.300  -9.998   3.027
  843   1HZ   LYS 112          1HZ       LYS 112  11.058  -9.299   5.208
  844   2HZ   LYS 112          2HZ       LYS 112  11.937  -8.025   4.528
  845   3HZ   LYS 112          3HZ       LYS 112  12.380  -9.624   4.201
  846    H    TYR 113           H        TYR 113   7.291  -5.726  -0.336
  847    HA   TYR 113           HA       TYR 113   8.039  -3.015   0.156
  848   1HB   TYR 113          1HB       TYR 113   7.392  -3.993  -2.074
  849   2HB   TYR 113          2HB       TYR 113   5.723  -4.007  -1.513
  850    HD1  TYR 113           1HD      TYR 113   4.475  -1.937  -1.287
  851    HD2  TYR 113           2HD      TYR 113   8.524  -1.901  -2.593
  852    HE1  TYR 113           1HE      TYR 113   4.204   0.386  -2.043
  853    HE2  TYR 113           2HE      TYR 113   8.264   0.423  -3.353
  854    HH   TYR 113           HH       TYR 113   6.487   1.954  -4.025
  855    H    THR 114           H        THR 114   4.786  -4.467   0.211
  856    HA   THR 114           HA       THR 114   3.444  -2.399   1.411
  857    HB   THR 114           HB       THR 114   1.705  -3.958   1.995
  858    HG1  THR 114           1HG      THR 114   2.757  -5.641   2.964
  859   1HG2  THR 114          1HG2      THR 114   3.080  -4.899  -0.521
  860   2HG2  THR 114          2HG2      THR 114   2.035  -3.487  -0.398
  861   3HG2  THR 114          3HG2      THR 114   1.375  -5.098  -0.124
  862    H    ASP 115           H        ASP 115   5.162  -5.051   3.034
  863    HA   ASP 115           HA       ASP 115   4.486  -4.792   5.634
  864   1HB   ASP 115          1HB       ASP 115   6.158  -6.386   4.859
  865   2HB   ASP 115          2HB       ASP 115   7.300  -5.072   4.568
  866    H    CYS 116           H        CYS 116   7.314  -3.028   4.378
  867    HA   CYS 116           HA       CYS 116   7.709  -1.444   6.629
  868   1HB   CYS 116          1HB       CYS 116   8.801   0.125   4.773
  869   2HB   CYS 116          2HB       CYS 116   9.547  -1.385   5.292
  870    H    TYR 117           H        TYR 117   5.401  -1.006   4.055
  871    HA   TYR 117           HA       TYR 117   5.002   1.752   4.245
  872   1HB   TYR 117          1HB       TYR 117   3.853  -0.272   2.791
  873   2HB   TYR 117          2HB       TYR 117   2.536   0.201   3.859
  874    HD1  TYR 117           1HD      TYR 117   1.039   1.384   2.521
  875    HD2  TYR 117           2HD      TYR 117   5.190   2.290   2.267
  876    HE1  TYR 117           1HE      TYR 117   0.531   3.290   1.051
  877    HE2  TYR 117           2HE      TYR 117   4.694   4.198   0.802
  878    HH   TYR 117           HH       TYR 117   1.570   5.429   0.378
  879    H    ILE 118           H        ILE 118   3.989  -0.846   6.329
  880    HA   ILE 118           HA       ILE 118   2.200   0.825   7.888
  881    HB   ILE 118           HB       ILE 118   3.210  -1.954   8.509
  882   1HG1  ILE 118          1HG1      ILE 118   2.029  -1.933   6.365
  883   2HG1  ILE 118          2HG1      ILE 118   1.070  -2.752   7.594
  884   1HG2  ILE 118          1HG2      ILE 118   2.345  -0.809  10.459
  885   2HG2  ILE 118          2HG2      ILE 118   1.226  -2.077   9.959
  886   3HG2  ILE 118          3HG2      ILE 118   0.870  -0.389   9.588
  887   1HD1  ILE 118          1HD1      ILE 118  -0.325  -1.350   6.207
  888   2HD1  ILE 118          2HD1      ILE 118   0.660   0.060   6.599
  889   3HD1  ILE 118          3HD1      ILE 118  -0.289  -0.732   7.857
  890    H    GLU 119           H        GLU 119   5.510  -0.199   7.912
  891    HA   GLU 119           HA       GLU 119   6.047   0.309  10.656
  892   1HB   GLU 119          1HB       GLU 119   7.477  -1.123   9.241
  893   2HB   GLU 119          2HB       GLU 119   7.947   0.286   8.304
  894   1HG   GLU 119          1HG       GLU 119   9.684  -0.264   9.868
  895   2HG   GLU 119          2HG       GLU 119   8.947   1.272  10.319
  896    H    LYS 120           H        LYS 120   6.766   2.176   7.703
  897    HA   LYS 120           HA       LYS 120   7.491   4.497   9.270
  898   1HB   LYS 120          1HB       LYS 120   7.226   4.315   6.278
  899   2HB   LYS 120          2HB       LYS 120   8.161   5.483   7.203
  900   1HG   LYS 120          1HG       LYS 120   8.738   2.531   7.055
  901   2HG   LYS 120          2HG       LYS 120   9.556   3.779   6.113
  902   1HD   LYS 120          1HD       LYS 120  10.384   4.807   8.151
  903   2HD   LYS 120          2HD       LYS 120   9.513   3.621   9.125
  904   1HE   LYS 120          1HE       LYS 120  10.854   1.828   8.121
  905   2HE   LYS 120          2HE       LYS 120  11.733   3.027   7.171
  906   1HZ   LYS 120          1HZ       LYS 120  11.680   2.892  10.139
  907   2HZ   LYS 120          2HZ       LYS 120  12.546   4.013   9.214
  908   3HZ   LYS 120          3HZ       LYS 120  12.956   2.373   9.155
  909    H    LEU 121           H        LEU 121   5.126   3.885   6.662
  910    HA   LEU 121           HA       LEU 121   3.748   6.353   7.282
  911   1HB   LEU 121          1HB       LEU 121   4.115   5.664   4.961
  912   2HB   LEU 121          2HB       LEU 121   3.145   4.232   5.229
  913    HG   LEU 121           HG       LEU 121   1.169   5.627   5.609
  914   1HD1  LEU 121          1HD1      LEU 121   3.007   7.923   4.947
  915   2HD1  LEU 121          2HD1      LEU 121   2.240   7.612   6.504
  916   3HD1  LEU 121          3HD1      LEU 121   1.253   8.026   5.102
  917   1HD2  LEU 121          1HD2      LEU 121   0.881   6.392   3.308
  918   2HD2  LEU 121          2HD2      LEU 121   1.649   4.805   3.370
  919   3HD2  LEU 121          3HD2      LEU 121   2.618   6.240   3.041
  920    H    PHE 122           H        PHE 122   3.492   3.165   8.403
  921    HA   PHE 122           HA       PHE 122   1.984   2.150   9.770
  922   1HB   PHE 122          1HB       PHE 122   1.621   3.925  11.176
  923   2HB   PHE 122          2HB       PHE 122   1.097   4.988   9.879
  924    HD1  PHE 122           1HD      PHE 122  -0.005   1.929  11.693
  925    HD2  PHE 122           2HD      PHE 122  -1.131   5.549   9.764
  926    HE1  PHE 122           1HE      PHE 122  -2.341   1.549  12.359
  927    HE2  PHE 122           2HE      PHE 122  -3.466   5.185  10.430
  928    HZ   PHE 122           HZ       PHE 122  -4.087   3.185  11.702
  929    H    SER 123           H        SER 123   1.031   3.627   6.832
  930    HA   SER 123           HA       SER 123  -0.543   1.478   6.004
  931   1HB   SER 123          1HB       SER 123  -2.229   2.186   7.574
  932   2HB   SER 123          2HB       SER 123  -2.126   3.853   7.007
  933    HG   SER 123           HG       SER 123  -3.662   1.887   6.088
  934   1H4   TSD 124          1H4       TSP 124  -4.057  -2.502  -0.432
  935   2H4   TSD 124          2H4       TSP 124  -4.899  -1.122  -1.094
  936   3H4   TSD 124          3H4       TSP 124  -5.118  -1.554   0.585
  937   1H5   TSD 124          1H5       TSP 124  -2.015  -2.441   1.123
  938   2H5   TSD 124          2H5       TSP 124  -1.417  -1.016   1.943
  939   3H5   TSD 124          3H5       TSP 124  -0.821  -1.424   0.351
  940   1H6   TSD 124          1H6       TSP 124  -4.370   1.417   0.952
  941   2H6   TSD 124          2H6       TSP 124  -2.754   1.520   1.613
  942   3H6   TSD 124          3H6       TSP 124  -3.911   0.407   2.304
  943   1D3   TSD 124          1D3       TSP 124  -2.083  -0.418  -1.966
  944   2D3   TSD 124          2D3       TSP 124  -3.173   0.931  -1.716
  945   1D2   TSD 124          1D2       TSP 124  -0.335   0.740  -0.657
  946   2D2   TSD 124          2D2       TSP 124  -1.431   2.096  -0.394
  Start of MODEL   15
    1    HA   ILE   1           HA       ILE   1  -1.917  14.639  10.911
    2    HB   ILE   1           HB       ILE   1  -1.284  12.768   9.405
    3   1HG1  ILE   1          1HG1      ILE   1   0.838  12.222  11.498
    4   2HG1  ILE   1          2HG1      ILE   1  -0.547  11.188  11.163
    5   1HG2  ILE   1          1HG2      ILE   1   0.901  13.670   8.793
    6   2HG2  ILE   1          2HG2      ILE   1   1.019  14.465  10.363
    7   3HG2  ILE   1          3HG2      ILE   1  -0.224  14.962   9.214
    8   1HD1  ILE   1          1HD1      ILE   1   1.718  11.814   9.284
    9   2HD1  ILE   1          2HD1      ILE   1   0.307  10.837   8.882
   10   3HD1  ILE   1          3HD1      ILE   1   1.432  10.291  10.126
   11    H    ASP   2           H        ASP   2  -3.901  13.801  10.643
   12    HA   ASP   2           HA       ASP   2  -4.881  11.951  12.608
   13   1HB   ASP   2          1HB       ASP   2  -6.256  13.232  10.237
   14   2HB   ASP   2          2HB       ASP   2  -7.066  12.306  11.497
   15    H    GLN   3           H        GLN   3  -5.455   9.863  12.373
   16    HA   GLN   3           HA       GLN   3  -4.255   8.249  10.452
   17   1HB   GLN   3          1HB       GLN   3  -5.943   6.518  11.244
   18   2HB   GLN   3          2HB       GLN   3  -4.904   7.226  12.474
   19   1HG   GLN   3          1HG       GLN   3  -6.717   8.731  13.127
   20   2HG   GLN   3          2HG       GLN   3  -7.753   8.006  11.899
   21   1HE2  GLN   3          1HE2      GLN   3  -8.084   8.147  14.801
   22   2HE2  GLN   3          2HE2      GLN   3  -8.241   6.513  15.340
   23    H    ASP   4           H        ASP   4  -7.374   9.793  10.495
   24    HA   ASP   4           HA       ASP   4  -8.785   8.456   8.564
   25   1HB   ASP   4          1HB       ASP   4  -9.710  10.323   9.847
   26   2HB   ASP   4          2HB       ASP   4  -8.666  11.450   8.987
   27    H    THR   5           H        THR   5  -6.312  10.947   8.064
   28    HA   THR   5           HA       THR   5  -6.553  11.299   5.321
   29    HB   THR   5           HB       THR   5  -5.030  12.538   6.998
   30    HG1  THR   5           1HG      THR   5  -3.823  13.264   5.258
   31   1HG2  THR   5          1HG2      THR   5  -3.034  10.496   6.018
   32   2HG2  THR   5          2HG2      THR   5  -3.745  10.473   7.631
   33   3HG2  THR   5          3HG2      THR   5  -2.745  11.835   7.129
   34    H    VAL   6           H        VAL   6  -5.027   8.710   7.103
   35    HA   VAL   6           HA       VAL   6  -3.872   7.567   4.696
   36    HB   VAL   6           HB       VAL   6  -3.902   6.517   7.527
   37   1HG1  VAL   6          1HG1      VAL   6  -3.644   4.707   5.931
   38   2HG1  VAL   6          2HG1      VAL   6  -2.118   5.008   6.761
   39   3HG1  VAL   6          3HG1      VAL   6  -2.353   5.588   5.112
   40   1HG2  VAL   6          1HG2      VAL   6  -2.665   8.594   7.346
   41   2HG2  VAL   6          2HG2      VAL   6  -1.762   7.963   5.970
   42   3HG2  VAL   6          3HG2      VAL   6  -1.551   7.245   7.567
   43    H    VAL   7           H        VAL   7  -5.953   6.206   7.255
   44    HA   VAL   7           HA       VAL   7  -6.759   3.973   5.776
   45    HB   VAL   7           HB       VAL   7  -8.279   5.271   8.036
   46   1HG1  VAL   7          1HG1      VAL   7  -8.243   2.431   7.015
   47   2HG1  VAL   7          2HG1      VAL   7  -9.568   3.582   6.855
   48   3HG1  VAL   7          3HG1      VAL   7  -9.100   2.993   8.449
   49   1HG2  VAL   7          1HG2      VAL   7  -6.048   3.241   8.115
   50   2HG2  VAL   7          2HG2      VAL   7  -7.016   3.750   9.499
   51   3HG2  VAL   7          3HG2      VAL   7  -5.966   4.909   8.682
   52    H    ALA   8           H        ALA   8  -8.786   6.792   6.621
   53    HA   ALA   8           HA       ALA   8 -10.977   6.083   5.076
   54   1HB   ALA   8          1HB       ALA   8 -10.108   8.891   5.723
   55   2HB   ALA   8          2HB       ALA   8 -10.975   7.819   6.824
   56   3HB   ALA   8          3HB       ALA   8 -11.738   8.346   5.325
   57    H    LYS   9           H        LYS   9  -7.970   7.523   4.008
   58    HA   LYS   9           HA       LYS   9  -9.172   8.356   1.488
   59   1HB   LYS   9          1HB       LYS   9  -6.362   8.569   2.554
   60   2HB   LYS   9          2HB       LYS   9  -6.813   9.064   0.931
   61   1HG   LYS   9          1HG       LYS   9  -7.960  10.189   3.478
   62   2HG   LYS   9          2HG       LYS   9  -6.723  10.954   2.480
   63   1HD   LYS   9          1HD       LYS   9  -9.497  10.244   1.524
   64   2HD   LYS   9          2HD       LYS   9  -9.017  11.842   2.097
   65   1HE   LYS   9          1HE       LYS   9  -7.339  11.971   0.317
   66   2HE   LYS   9          2HE       LYS   9  -7.826  10.375  -0.257
   67   1HZ   LYS   9          1HZ       LYS   9  -9.562  12.785  -0.171
   68   2HZ   LYS   9          2HZ       LYS   9 -10.026  11.257  -0.728
   69   3HZ   LYS   9          3HZ       LYS   9  -8.844  12.136  -1.559
   70    H    TYR  10           H        TYR  10  -6.421   6.251   2.377
   71    HA   TYR  10           HA       TYR  10  -6.042   5.130  -0.130
   72   1HB   TYR  10          1HB       TYR  10  -5.498   4.086   2.638
   73   2HB   TYR  10          2HB       TYR  10  -5.116   3.130   1.210
   74    HD1  TYR  10           1HD      TYR  10  -3.843   4.635  -0.672
   75    HD2  TYR  10           2HD      TYR  10  -3.734   5.270   3.531
   76    HE1  TYR  10           1HE      TYR  10  -1.707   5.828  -0.914
   77    HE2  TYR  10           2HE      TYR  10  -1.599   6.469   3.303
   78    HH   TYR  10           HH       TYR  10   0.282   6.597   1.725
   79    H    MET  11           H        MET  11  -8.597   4.615   2.093
   80    HA   MET  11           HA       MET  11  -9.391   2.063   0.985
   81   1HB   MET  11          1HB       MET  11 -10.494   3.896   3.085
   82   2HB   MET  11          2HB       MET  11 -11.494   2.606   2.435
   83   1HG   MET  11          1HG       MET  11  -8.822   2.267   3.779
   84   2HG   MET  11          2HG       MET  11 -10.397   1.941   4.500
   85   1HE   MET  11          1HE       MET  11  -8.943  -1.657   4.051
   86   2HE   MET  11          2HE       MET  11  -9.700  -0.525   5.170
   87   3HE   MET  11          3HE       MET  11  -8.088  -0.194   4.535
   88    H    GLU  12           H        GLU  12 -10.880   5.293   1.161
   89    HA   GLU  12           HA       GLU  12 -12.950   4.745  -0.675
   90   1HB   GLU  12          1HB       GLU  12 -13.090   6.566   0.934
   91   2HB   GLU  12          2HB       GLU  12 -11.724   7.372   0.177
   92   1HG   GLU  12          1HG       GLU  12 -13.032   7.678  -1.861
   93   2HG   GLU  12          2HG       GLU  12 -14.400   6.867  -1.103
   94    H    TYR  13           H        TYR  13  -9.851   6.415  -1.067
   95    HA   TYR  13           HA       TYR  13  -9.963   7.302  -3.634
   96   1HB   TYR  13          1HB       TYR  13  -8.037   7.352  -1.878
   97   2HB   TYR  13          2HB       TYR  13  -7.490   5.889  -2.689
   98    HD1  TYR  13           1HD      TYR  13  -7.703   9.490  -2.829
   99    HD2  TYR  13           2HD      TYR  13  -6.857   5.999  -5.111
  100    HE1  TYR  13           1HE      TYR  13  -6.570  10.873  -4.516
  101    HE2  TYR  13           2HE      TYR  13  -5.722   7.375  -6.805
  102    HH   TYR  13           HH       TYR  13  -5.723   9.702  -7.587
  103    H    LEU  14           H        LEU  14  -9.512   3.971  -2.586
  104    HA   LEU  14           HA       LEU  14  -9.891   3.118  -5.367
  105   1HB   LEU  14          1HB       LEU  14  -7.802   1.957  -3.524
  106   2HB   LEU  14          2HB       LEU  14  -8.167   1.407  -5.147
  107    HG   LEU  14           HG       LEU  14  -7.111   4.159  -4.514
  108   1HD1  LEU  14          1HD1      LEU  14  -5.621   1.715  -5.462
  109   2HD1  LEU  14          2HD1      LEU  14  -5.478   2.465  -3.872
  110   3HD1  LEU  14          3HD1      LEU  14  -4.954   3.341  -5.309
  111   1HD2  LEU  14          1HD2      LEU  14  -7.320   2.634  -7.109
  112   2HD2  LEU  14          2HD2      LEU  14  -6.637   4.246  -6.902
  113   3HD2  LEU  14          3HD2      LEU  14  -8.355   3.973  -6.615
  114    H    MET  15           H        MET  15 -11.911   3.153  -3.518
  115    HA   MET  15           HA       MET  15 -12.142   0.702  -2.093
  116   1HB   MET  15          1HB       MET  15 -13.370   2.542  -1.261
  117   2HB   MET  15          2HB       MET  15 -14.105   2.860  -2.826
  118   1HG   MET  15          1HG       MET  15 -15.367   0.787  -2.658
  119   2HG   MET  15          2HG       MET  15 -14.635   0.463  -1.088
  120   1HE   MET  15          1HE       MET  15 -15.854   3.923  -2.544
  121   2HE   MET  15          2HE       MET  15 -17.505   3.983  -1.928
  122   3HE   MET  15          3HE       MET  15 -17.055   2.775  -3.132
  123    HA   PRO  16           HA       PRO  16 -15.080  -0.610  -5.708
  124   1HB   PRO  16          1HB       PRO  16 -14.857   0.713  -8.064
  125   2HB   PRO  16          2HB       PRO  16 -15.986   1.203  -6.796
  126   1HG   PRO  16          1HG       PRO  16 -13.281   2.307  -7.456
  127   2HG   PRO  16          2HG       PRO  16 -14.777   3.175  -7.059
  128   1HD   PRO  16          1HD       PRO  16 -12.808   2.772  -5.251
  129   2HD   PRO  16          2HD       PRO  16 -14.523   2.834  -4.793
  130    H    ASP  17           H        ASP  17 -11.816   0.074  -5.727
  131    HA   ASP  17           HA       ASP  17 -11.249  -1.736  -7.966
  132   1HB   ASP  17          1HB       ASP  17  -9.419   0.142  -6.458
  133   2HB   ASP  17          2HB       ASP  17  -8.927  -0.890  -7.797
  134    H    ILE  18           H        ILE  18 -11.247  -1.541  -4.538
  135    HA   ILE  18           HA       ILE  18  -9.323  -3.678  -4.177
  136    HB   ILE  18           HB       ILE  18 -11.061  -2.144  -2.255
  137   1HG1  ILE  18          1HG1      ILE  18  -8.053  -2.387  -2.418
  138   2HG1  ILE  18          2HG1      ILE  18  -8.967  -1.122  -3.232
  139   1HG2  ILE  18          1HG2      ILE  18  -9.232  -4.465  -1.652
  140   2HG2  ILE  18          2HG2      ILE  18 -10.975  -4.394  -1.397
  141   3HG2  ILE  18          3HG2      ILE  18  -9.904  -3.374  -0.437
  142   1HD1  ILE  18          1HD1      ILE  18  -8.883  -1.599  -0.262
  143   2HD1  ILE  18          2HD1      ILE  18  -9.778  -0.319  -1.080
  144   3HD1  ILE  18          3HD1      ILE  18  -8.015  -0.338  -1.137
  145    H    MET  19           H        MET  19 -12.825  -3.284  -4.118
  146    HA   MET  19           HA       MET  19 -13.638  -5.634  -2.948
  147   1HB   MET  19          1HB       MET  19 -15.180  -4.977  -5.361
  148   2HB   MET  19          2HB       MET  19 -15.707  -5.133  -3.693
  149   1HG   MET  19          1HG       MET  19 -14.804  -2.885  -3.234
  150   2HG   MET  19          2HG       MET  19 -14.380  -2.736  -4.939
  151   1HE   MET  19          1HE       MET  19 -16.224  -2.853  -6.907
  152   2HE   MET  19          2HE       MET  19 -17.960  -2.936  -6.604
  153   3HE   MET  19          3HE       MET  19 -16.931  -4.314  -6.216
  154    HA   PRO  20           HA       PRO  20 -13.525  -7.616  -7.612
  155   1HB   PRO  20          1HB       PRO  20 -10.787  -6.438  -7.933
  156   2HB   PRO  20          2HB       PRO  20 -11.945  -6.937  -9.173
  157   1HG   PRO  20          1HG       PRO  20 -11.678  -4.370  -8.501
  158   2HG   PRO  20          2HG       PRO  20 -13.265  -5.059  -8.886
  159   1HD   PRO  20          1HD       PRO  20 -12.170  -4.204  -6.280
  160   2HD   PRO  20          2HD       PRO  20 -13.858  -4.364  -6.799
  161    H    CYS  21           H        CYS  21 -10.436  -7.107  -5.867
  162    HA   CYS  21           HA       CYS  21  -9.879  -9.962  -6.016
  163   1HB   CYS  21          1HB       CYS  21  -8.218  -7.790  -4.734
  164   2HB   CYS  21          2HB       CYS  21  -7.691  -9.410  -5.180
  165    H    ALA  22           H        ALA  22 -10.488  -7.514  -3.540
  166    HA   ALA  22           HA       ALA  22 -10.098  -9.194  -1.316
  167   1HB   ALA  22          1HB       ALA  22 -10.120  -6.752  -1.156
  168   2HB   ALA  22          2HB       ALA  22 -11.268  -7.486  -0.036
  169   3HB   ALA  22          3HB       ALA  22 -11.843  -6.743  -1.529
  170    H    ASP  23           H        ASP  23 -12.458  -9.375  -3.673
  171    HA   ASP  23           HA       ASP  23 -14.595 -10.254  -1.927
  172   1HB   ASP  23          1HB       ASP  23 -14.302  -9.686  -4.810
  173   2HB   ASP  23          2HB       ASP  23 -15.433 -10.971  -4.406
  174    H    GLU  24           H        GLU  24 -12.064 -11.682  -3.849
  175    HA   GLU  24           HA       GLU  24 -13.195 -14.342  -3.711
  176   1HB   GLU  24          1HB       GLU  24 -11.868 -13.448  -5.666
  177   2HB   GLU  24          2HB       GLU  24 -10.440 -13.558  -4.648
  178   1HG   GLU  24          1HG       GLU  24 -10.751 -15.954  -4.425
  179   2HG   GLU  24          2HG       GLU  24 -12.224 -15.867  -5.392
  180    H    LEU  25           H        LEU  25 -10.211 -12.809  -2.531
  181    HA   LEU  25           HA       LEU  25  -9.983 -14.936  -0.507
  182   1HB   LEU  25          1HB       LEU  25  -7.699 -13.187  -1.089
  183   2HB   LEU  25          2HB       LEU  25  -7.714 -14.878  -0.659
  184    HG   LEU  25           HG       LEU  25  -8.855 -14.778  -3.211
  185   1HD1  LEU  25          1HD1      LEU  25  -6.376 -13.056  -3.106
  186   2HD1  LEU  25          2HD1      LEU  25  -8.011 -12.472  -3.426
  187   3HD1  LEU  25          3HD1      LEU  25  -7.234 -13.582  -4.556
  188   1HD2  LEU  25          1HD2      LEU  25  -7.429 -16.541  -2.342
  189   2HD2  LEU  25          2HD2      LEU  25  -6.047 -15.444  -2.337
  190   3HD2  LEU  25          3HD2      LEU  25  -6.785 -15.926  -3.865
  191    H    HIS  26           H        HIS  26 -11.663 -12.858   0.030
  192    HA   HIS  26           HA       HIS  26 -10.731 -10.609   1.290
  193   1HB   HIS  26          1HB       HIS  26 -13.140 -11.214   0.753
  194   2HB   HIS  26          2HB       HIS  26 -13.136 -12.168   2.229
  195    HD1  HIS  26           1HD      HIS  26 -12.908  -8.599   1.045
  196    HD2  HIS  26           2HD      HIS  26 -13.454 -10.736   4.567
  197    HE1  HIS  26           1HE      HIS  26 -13.557  -6.892   2.773
  198    HE2  HIS  26           2HE      HIS  26 -13.976  -8.221   4.870
  199    H    ILE  27           H        ILE  27  -8.861 -11.312   2.352
  200    HA   ILE  27           HA       ILE  27  -9.353 -12.027   5.146
  201    HB   ILE  27           HB       ILE  27  -7.305 -13.421   5.199
  202   1HG1  ILE  27          1HG1      ILE  27  -7.441 -13.336   2.178
  203   2HG1  ILE  27          2HG1      ILE  27  -6.284 -12.419   3.132
  204   1HG2  ILE  27          1HG2      ILE  27  -9.500 -14.467   5.025
  205   2HG2  ILE  27          2HG2      ILE  27  -8.284 -15.405   4.159
  206   3HG2  ILE  27          3HG2      ILE  27  -9.410 -14.385   3.265
  207   1HD1  ILE  27          1HD1      ILE  27  -5.315 -14.469   3.970
  208   2HD1  ILE  27          2HD1      ILE  27  -5.330 -14.471   2.206
  209   3HD1  ILE  27          3HD1      ILE  27  -6.520 -15.418   3.099
  210    H    SER  28           H        SER  28  -9.147  -9.524   4.352
  211    HA   SER  28           HA       SER  28  -6.728  -8.300   3.922
  212   1HB   SER  28          1HB       SER  28  -8.841  -7.109   3.807
  213   2HB   SER  28          2HB       SER  28  -9.062  -7.281   5.549
  214    HG   SER  28           HG       SER  28  -7.942  -5.526   5.745
  215    H    GLU  29           H        GLU  29  -5.880  -6.612   5.642
  216    HA   GLU  29           HA       GLU  29  -4.112  -7.810   7.292
  217   1HB   GLU  29          1HB       GLU  29  -5.366  -5.135   7.227
  218   2HB   GLU  29          2HB       GLU  29  -4.513  -5.555   8.705
  219   1HG   GLU  29          1HG       GLU  29  -2.481  -5.851   7.566
  220   2HG   GLU  29          2HG       GLU  29  -3.267  -5.827   5.989
  221    H    ASP  30           H        ASP  30  -7.484  -7.632   7.883
  222    HA   ASP  30           HA       ASP  30  -7.221  -7.913  10.751
  223   1HB   ASP  30          1HB       ASP  30  -9.634  -7.994   8.937
  224   2HB   ASP  30          2HB       ASP  30  -9.715  -8.149  10.689
  225    H    ILE  31           H        ILE  31  -8.941  -9.921   8.355
  226    HA   ILE  31           HA       ILE  31  -8.848 -12.228  10.043
  227    HB   ILE  31           HB       ILE  31  -9.551 -12.093   7.106
  228   1HG1  ILE  31          1HG1      ILE  31 -11.389 -11.887   9.500
  229   2HG1  ILE  31          2HG1      ILE  31 -10.869 -10.516   8.526
  230   1HG2  ILE  31          1HG2      ILE  31 -10.222 -14.113   9.246
  231   2HG2  ILE  31          2HG2      ILE  31  -9.157 -14.356   7.862
  232   3HG2  ILE  31          3HG2      ILE  31 -10.885 -14.111   7.612
  233   1HD1  ILE  31          1HD1      ILE  31 -11.958 -11.498   6.573
  234   2HD1  ILE  31          2HD1      ILE  31 -13.093 -11.238   7.899
  235   3HD1  ILE  31          3HD1      ILE  31 -12.490 -12.860   7.560
  236    H    ALA  32           H        ALA  32  -6.626 -10.869   7.862
  237    HA   ALA  32           HA       ALA  32  -5.402 -12.985   6.612
  238   1HB   ALA  32          1HB       ALA  32  -4.720 -10.651   6.300
  239   2HB   ALA  32          2HB       ALA  32  -3.337 -11.686   6.652
  240   3HB   ALA  32          3HB       ALA  32  -4.003 -10.645   7.911
  241    H    THR  33           H        THR  33  -4.761 -11.780   9.884
  242    HA   THR  33           HA       THR  33  -4.326 -14.357  10.962
  243    HB   THR  33           HB       THR  33  -1.888 -12.754  10.242
  244    HG1  THR  33           1HG      THR  33  -1.269 -15.134   9.915
  245   1HG2  THR  33          1HG2      THR  33  -2.106 -14.799  12.451
  246   2HG2  THR  33          2HG2      THR  33  -1.697 -13.093  12.630
  247   3HG2  THR  33          3HG2      THR  33  -0.593 -14.181  11.791
  248    H    ASN  34           H        ASN  34  -5.119 -14.126  12.921
  249    HA   ASN  34           HA       ASN  34  -5.865 -11.955  14.269
  250   1HB   ASN  34          1HB       ASN  34  -5.460 -13.241  16.415
  251   2HB   ASN  34          2HB       ASN  34  -6.414 -14.063  15.188
  252   1HD2  ASN  34          1HD2      ASN  34  -4.848 -15.132  17.411
  253   2HD2  ASN  34          2HD2      ASN  34  -3.717 -16.232  16.710
  254    H    ILE  35           H        ILE  35  -2.900 -13.437  15.577
  255    HA   ILE  35           HA       ILE  35  -1.513 -10.890  15.435
  256    HB   ILE  35           HB       ILE  35  -0.976 -11.037  17.931
  257   1HG1  ILE  35          1HG1      ILE  35  -3.556 -12.621  17.933
  258   2HG1  ILE  35          2HG1      ILE  35  -1.962 -13.305  18.235
  259   1HG2  ILE  35          1HG2      ILE  35  -3.771 -10.277  17.097
  260   2HG2  ILE  35          2HG2      ILE  35  -2.334  -9.270  16.926
  261   3HG2  ILE  35          3HG2      ILE  35  -2.922  -9.705  18.532
  262   1HD1  ILE  35          1HD1      ILE  35  -3.327 -11.207  19.906
  263   2HD1  ILE  35          2HD1      ILE  35  -1.732 -11.895  20.212
  264   3HD1  ILE  35          3HD1      ILE  35  -3.166 -12.917  20.307
  265    H    GLN  36           H        GLN  36  -1.064 -13.579  14.365
  266    HA   GLN  36           HA       GLN  36   1.000 -14.841  15.876
  267   1HB   GLN  36          1HB       GLN  36  -0.351 -16.032  14.174
  268   2HB   GLN  36          2HB       GLN  36   0.425 -15.079  12.919
  269   1HG   GLN  36          1HG       GLN  36   2.599 -16.029  13.578
  270   2HG   GLN  36          2HG       GLN  36   1.772 -17.034  14.766
  271   1HE2  GLN  36          1HE2      GLN  36  -0.536 -17.456  13.022
  272   2HE2  GLN  36          2HE2      GLN  36  -0.026 -18.587  11.821
  273    H    ALA  37           H        ALA  37   1.296 -13.279  12.673
  274    HA   ALA  37           HA       ALA  37   4.070 -12.980  12.753
  275   1HB   ALA  37          1HB       ALA  37   3.796 -11.381  10.931
  276   2HB   ALA  37          2HB       ALA  37   2.070 -11.270  11.276
  277   3HB   ALA  37          3HB       ALA  37   2.760 -12.788  10.699
  278    H    ALA  38           H        ALA  38   1.498 -10.758  13.704
  279    HA   ALA  38           HA       ALA  38   1.443  -8.979  15.105
  280   1HB   ALA  38          1HB       ALA  38   3.107  -8.781  16.849
  281   2HB   ALA  38          2HB       ALA  38   4.174  -9.889  15.987
  282   3HB   ALA  38          3HB       ALA  38   2.642 -10.470  16.639
  283    H    LYS  39           H        LYS  39   3.442  -9.143  12.513
  284    HA   LYS  39           HA       LYS  39   5.213  -7.017  12.733
  285   1HB   LYS  39          1HB       LYS  39   4.914  -8.635  10.773
  286   2HB   LYS  39          2HB       LYS  39   3.615  -7.578  10.234
  287   1HG   LYS  39          1HG       LYS  39   5.615  -7.027   9.043
  288   2HG   LYS  39          2HG       LYS  39   5.229  -5.706  10.147
  289   1HD   LYS  39          1HD       LYS  39   6.869  -6.599  11.753
  290   2HD   LYS  39          2HD       LYS  39   7.277  -7.874  10.606
  291   1HE   LYS  39          1HE       LYS  39   7.981  -6.166   8.984
  292   2HE   LYS  39          2HE       LYS  39   7.606  -4.909  10.162
  293   1HZ   LYS  39          1HZ       LYS  39   9.964  -5.430  10.141
  294   2HZ   LYS  39          2HZ       LYS  39   9.637  -7.048  10.510
  295   3HZ   LYS  39          3HZ       LYS  39   9.280  -5.836  11.634
  296    H    ASN  40           H        ASN  40   1.985  -6.897  11.267
  297    HA   ASN  40           HA       ASN  40   1.676  -4.151  12.283
  298   1HB   ASN  40          1HB       ASN  40   0.434  -5.036   9.690
  299   2HB   ASN  40          2HB       ASN  40   0.775  -3.401  10.252
  300   1HD2  ASN  40          1HD2      ASN  40   2.036  -6.228   8.722
  301   2HD2  ASN  40          2HD2      ASN  40   3.545  -5.547   8.230
  302    H    GLY  41           H        GLY  41   0.809  -7.101  12.815
  303   1HA   GLY  41          1HA       GLY  41  -0.999  -7.747  14.202
  304   2HA   GLY  41          2HA       GLY  41  -1.954  -6.430  13.525
  305    H    ALA  42           H        ALA  42  -0.782  -7.342  10.838
  306    HA   ALA  42           HA       ALA  42  -2.953  -9.157  10.192
  307   1HB   ALA  42          1HB       ALA  42  -0.922  -8.062   8.271
  308   2HB   ALA  42          2HB       ALA  42  -2.292  -7.108   8.836
  309   3HB   ALA  42          3HB       ALA  42  -2.570  -8.602   7.944
  310    H    ASP  43           H        ASP  43  -1.547 -10.280   7.893
  311    HA   ASP  43           HA       ASP  43   0.036 -12.331   9.281
  312   1HB   ASP  43          1HB       ASP  43  -2.033 -13.100   8.129
  313   2HB   ASP  43          2HB       ASP  43  -1.372 -12.511   6.608
  314    H    MET  44           H        MET  44   0.028  -9.977   6.742
  315    HA   MET  44           HA       MET  44   1.708  -8.995   5.581
  316   1HB   MET  44          1HB       MET  44   3.703  -8.925   6.578
  317   2HB   MET  44          2HB       MET  44   3.066 -10.076   7.744
  318   1HG   MET  44          1HG       MET  44   3.935 -11.921   6.391
  319   2HG   MET  44          2HG       MET  44   4.579 -10.761   5.231
  320   1HE   MET  44          1HE       MET  44   6.298 -13.074   6.690
  321   2HE   MET  44          2HE       MET  44   7.781 -12.179   7.025
  322   3HE   MET  44          3HE       MET  44   6.955 -11.967   5.483
  323    H    SER  45           H        SER  45   1.569 -12.497   5.652
  324    HA   SER  45           HA       SER  45   2.999 -12.964   3.262
  325   1HB   SER  45          1HB       SER  45   0.844 -14.633   4.573
  326   2HB   SER  45          2HB       SER  45   1.929 -15.189   3.301
  327    HG   SER  45           HG       SER  45   2.494 -14.569   5.982
  328    H    GLN  46           H        GLN  46  -0.535 -12.978   3.837
  329    HA   GLN  46           HA       GLN  46  -0.987 -12.877   0.978
  330   1HB   GLN  46          1HB       GLN  46  -2.878 -13.077   3.307
  331   2HB   GLN  46          2HB       GLN  46  -3.407 -12.972   1.634
  332   1HG   GLN  46          1HG       GLN  46  -1.852 -15.166   2.959
  333   2HG   GLN  46          2HG       GLN  46  -3.425 -15.250   2.178
  334   1HE2  GLN  46          1HE2      GLN  46  -2.612 -13.666  -0.116
  335   2HE2  GLN  46          2HE2      GLN  46  -1.591 -14.676  -1.079
  336    H    LEU  47           H        LEU  47  -0.615 -10.644   3.485
  337    HA   LEU  47           HA       LEU  47  -2.397  -8.610   2.782
  338   1HB   LEU  47          1HB       LEU  47  -0.607  -8.884   4.734
  339   2HB   LEU  47          2HB       LEU  47   0.399  -7.959   3.642
  340    HG   LEU  47           HG       LEU  47  -2.216  -7.067   4.859
  341   1HD1  LEU  47          1HD1      LEU  47   0.627  -6.143   5.266
  342   2HD1  LEU  47          2HD1      LEU  47  -0.340  -7.072   6.412
  343   3HD1  LEU  47          3HD1      LEU  47  -0.805  -5.421   5.998
  344   1HD2  LEU  47          1HD2      LEU  47  -0.379  -5.636   2.939
  345   2HD2  LEU  47          2HD2      LEU  47  -1.723  -4.893   3.805
  346   3HD2  LEU  47          3HD2      LEU  47  -2.031  -6.160   2.620
  347    H    GLY  48           H        GLY  48   0.836  -9.367   1.560
  348   1HA   GLY  48          1HA       GLY  48   0.819  -7.172  -0.303
  349   2HA   GLY  48          2HA       GLY  48   1.992  -8.485  -0.241
  350    H    CYS  49           H        CYS  49  -1.503  -8.766  -0.492
  351    HA   CYS  49           HA       CYS  49  -1.314  -9.621  -3.253
  352   1HB   CYS  49          1HB       CYS  49  -2.785 -11.319  -1.286
  353   2HB   CYS  49          2HB       CYS  49  -2.269 -11.741  -2.913
  354    H    LEU  50           H        LEU  50  -3.820 -10.139  -0.833
  355    HA   LEU  50           HA       LEU  50  -5.962  -9.280  -2.357
  356   1HB   LEU  50          1HB       LEU  50  -5.463  -9.514   0.586
  357   2HB   LEU  50          2HB       LEU  50  -6.954  -8.768   0.038
  358    HG   LEU  50           HG       LEU  50  -7.267 -11.122   0.530
  359   1HD1  LEU  50          1HD1      LEU  50  -8.480  -9.891  -1.323
  360   2HD1  LEU  50          2HD1      LEU  50  -8.491 -11.648  -1.418
  361   3HD1  LEU  50          3HD1      LEU  50  -7.404 -10.719  -2.446
  362   1HD2  LEU  50          1HD2      LEU  50  -4.852 -11.683  -0.131
  363   2HD2  LEU  50          2HD2      LEU  50  -5.466 -11.776  -1.781
  364   3HD2  LEU  50          3HD2      LEU  50  -6.106 -12.851  -0.541
  365    H    LYS  51           H        LYS  51  -4.016  -7.473  -0.017
  366    HA   LYS  51           HA       LYS  51  -5.321  -4.988  -0.636
  367   1HB   LYS  51          1HB       LYS  51  -3.061  -5.831   1.136
  368   2HB   LYS  51          2HB       LYS  51  -3.227  -4.131   0.721
  369   1HG   LYS  51          1HG       LYS  51  -4.298  -4.522   2.821
  370   2HG   LYS  51          2HG       LYS  51  -5.537  -4.187   1.613
  371   1HD   LYS  51          1HD       LYS  51  -4.829  -7.028   2.009
  372   2HD   LYS  51          2HD       LYS  51  -5.667  -6.239   3.346
  373   1HE   LYS  51          1HE       LYS  51  -6.601  -6.405   0.483
  374   2HE   LYS  51          2HE       LYS  51  -7.269  -7.284   1.856
  375   1HZ   LYS  51          1HZ       LYS  51  -7.319  -4.341   1.456
  376   2HZ   LYS  51          2HZ       LYS  51  -7.882  -5.134   2.840
  377   3HZ   LYS  51          3HZ       LYS  51  -8.640  -5.394   1.351
  378    H    ALA  52           H        ALA  52  -2.478  -6.763  -1.666
  379    HA   ALA  52           HA       ALA  52  -1.334  -4.459  -3.035
  380   1HB   ALA  52          1HB       ALA  52  -0.470  -7.340  -3.201
  381   2HB   ALA  52          2HB       ALA  52   0.086  -6.205  -1.971
  382   3HB   ALA  52          3HB       ALA  52   0.457  -5.915  -3.669
  383    H    CYS  53           H        CYS  53  -3.931  -6.232  -3.652
  384    HA   CYS  53           HA       CYS  53  -3.434  -6.801  -6.439
  385   1HB   CYS  53          1HB       CYS  53  -4.949  -8.163  -4.847
  386   2HB   CYS  53          2HB       CYS  53  -6.137  -6.891  -5.120
  387    H    VAL  54           H        VAL  54  -4.912  -4.340  -4.462
  388    HA   VAL  54           HA       VAL  54  -6.378  -3.055  -6.542
  389    HB   VAL  54           HB       VAL  54  -6.782  -2.726  -4.079
  390   1HG1  VAL  54          1HG1      VAL  54  -5.439  -1.159  -2.847
  391   2HG1  VAL  54          2HG1      VAL  54  -4.419  -0.862  -4.255
  392   3HG1  VAL  54          3HG1      VAL  54  -4.395  -2.437  -3.466
  393   1HG2  VAL  54          1HG2      VAL  54  -7.784  -1.261  -5.745
  394   2HG2  VAL  54          2HG2      VAL  54  -6.347  -0.242  -5.735
  395   3HG2  VAL  54          3HG2      VAL  54  -7.359  -0.355  -4.296
  396    H    MET  55           H        MET  55  -3.089  -3.179  -5.655
  397    HA   MET  55           HA       MET  55  -2.185  -0.699  -6.661
  398   1HB   MET  55          1HB       MET  55  -0.695  -3.324  -6.462
  399   2HB   MET  55          2HB       MET  55   0.033  -1.735  -6.646
  400   1HG   MET  55          1HG       MET  55  -0.836  -1.069  -4.474
  401   2HG   MET  55          2HG       MET  55  -1.601  -2.647  -4.289
  402   1HE   MET  55          1HE       MET  55   0.316  -1.458  -2.051
  403   2HE   MET  55          2HE       MET  55   1.261  -2.897  -1.667
  404   3HE   MET  55          3HE       MET  55  -0.472  -3.032  -1.968
  405    H    LYS  56           H        LYS  56  -2.428  -3.935  -8.096
  406    HA   LYS  56           HA       LYS  56  -1.301  -3.332 -10.591
  407   1HB   LYS  56          1HB       LYS  56  -3.452  -5.372  -9.995
  408   2HB   LYS  56          2HB       LYS  56  -2.371  -5.370 -11.381
  409   1HG   LYS  56          1HG       LYS  56  -0.460  -5.681  -9.872
  410   2HG   LYS  56          2HG       LYS  56  -1.568  -5.729  -8.501
  411   1HD   LYS  56          1HD       LYS  56  -1.689  -7.629 -10.840
  412   2HD   LYS  56          2HD       LYS  56  -0.847  -7.976  -9.329
  413   1HE   LYS  56          1HE       LYS  56  -2.934  -7.756  -8.098
  414   2HE   LYS  56          2HE       LYS  56  -3.786  -7.344  -9.585
  415   1HZ   LYS  56          1HZ       LYS  56  -4.085  -9.672  -8.958
  416   2HZ   LYS  56          2HZ       LYS  56  -2.417  -9.928  -9.069
  417   3HZ   LYS  56          3HZ       LYS  56  -3.304  -9.529 -10.452
  418    H    ARG  57           H        ARG  57  -4.288  -2.392  -9.249
  419    HA   ARG  57           HA       ARG  57  -5.781  -2.177 -11.673
  420   1HB   ARG  57          1HB       ARG  57  -6.242  -0.715  -9.070
  421   2HB   ARG  57          2HB       ARG  57  -7.413  -0.980 -10.352
  422   1HG   ARG  57          1HG       ARG  57  -6.142  -3.183  -8.743
  423   2HG   ARG  57          2HG       ARG  57  -7.708  -2.457  -8.381
  424   1HD   ARG  57          1HD       ARG  57  -8.147  -4.444  -9.598
  425   2HD   ARG  57          2HD       ARG  57  -8.423  -3.103 -10.707
  426    HE   ARG  57           HE       ARG  57  -5.770  -4.209 -10.844
  427   1HH1  ARG  57          1HH1      ARG  57  -9.044  -4.447 -12.017
  428   2HH1  ARG  57          2HH1      ARG  57  -8.595  -5.239 -13.490
  429   1HH2  ARG  57          1HH2      ARG  57  -5.171  -5.249 -12.782
  430   2HH2  ARG  57          2HH2      ARG  57  -6.393  -5.691 -13.926
  431    H    ILE  58           H        ILE  58  -4.026   0.175  -9.657
  432    HA   ILE  58           HA       ILE  58  -4.459   2.245 -11.663
  433    HB   ILE  58           HB       ILE  58  -3.337   3.751 -10.056
  434   1HG1  ILE  58          1HG1      ILE  58  -3.308   1.348  -8.216
  435   2HG1  ILE  58          2HG1      ILE  58  -1.885   1.988  -9.031
  436   1HG2  ILE  58          1HG2      ILE  58  -5.582   2.112  -8.885
  437   2HG2  ILE  58          2HG2      ILE  58  -5.757   3.462 -10.006
  438   3HG2  ILE  58          3HG2      ILE  58  -5.122   3.740  -8.385
  439   1HD1  ILE  58          1HD1      ILE  58  -2.161   4.103  -7.837
  440   2HD1  ILE  58          2HD1      ILE  58  -1.985   2.741  -6.731
  441   3HD1  ILE  58          3HD1      ILE  58  -3.575   3.447  -7.013
  442    H    GLU  59           H        GLU  59  -2.784   0.005 -12.374
  443    HA   GLU  59           HA       GLU  59  -0.782  -0.475 -13.348
  444   1HB   GLU  59          1HB       GLU  59  -0.781   2.531 -13.662
  445   2HB   GLU  59          2HB       GLU  59   0.372   1.460 -14.449
  446   1HG   GLU  59          1HG       GLU  59  -2.613   1.379 -14.826
  447   2HG   GLU  59          2HG       GLU  59  -1.461   2.131 -15.930
  448    H    MET  60           H        MET  60  -0.835  -0.038 -10.469
  449    HA   MET  60           HA       MET  60   1.751   1.161  -9.876
  450   1HB   MET  60          1HB       MET  60  -0.094   1.690  -8.387
  451   2HB   MET  60          2HB       MET  60  -0.378  -0.017  -8.082
  452   1HG   MET  60          1HG       MET  60   0.787   1.118  -6.242
  453   2HG   MET  60          2HG       MET  60   1.710  -0.219  -6.927
  454   1HE   MET  60          1HE       MET  60   4.510   2.285  -5.876
  455   2HE   MET  60          2HE       MET  60   3.983   0.603  -5.834
  456   3HE   MET  60          3HE       MET  60   3.024   1.849  -5.033
  457    H    LEU  61           H        LEU  61   0.501  -1.870 -10.664
  458    HA   LEU  61           HA       LEU  61   3.027  -3.134 -10.065
  459   1HB   LEU  61          1HB       LEU  61   1.908  -3.491  -7.968
  460   2HB   LEU  61          2HB       LEU  61   0.459  -4.055  -8.777
  461    HG   LEU  61           HG       LEU  61   1.698  -6.040  -9.576
  462   1HD1  LEU  61          1HD1      LEU  61   3.933  -4.941  -7.877
  463   2HD1  LEU  61          2HD1      LEU  61   3.939  -5.115  -9.632
  464   3HD1  LEU  61          3HD1      LEU  61   3.894  -6.547  -8.605
  465   1HD2  LEU  61          1HD2      LEU  61   0.402  -6.134  -7.505
  466   2HD2  LEU  61          2HD2      LEU  61   1.820  -5.615  -6.591
  467   3HD2  LEU  61          3HD2      LEU  61   1.826  -7.172  -7.420
  468    H    LYS  62           H        LYS  62   3.510  -4.012 -11.955
  469    HA   LYS  62           HA       LYS  62   1.368  -5.273 -13.530
  470   1HB   LYS  62          1HB       LYS  62   4.019  -4.078 -14.336
  471   2HB   LYS  62          2HB       LYS  62   3.068  -5.082 -15.422
  472   1HG   LYS  62          1HG       LYS  62   1.645  -2.829 -14.159
  473   2HG   LYS  62          2HG       LYS  62   2.895  -2.409 -15.329
  474   1HD   LYS  62          1HD       LYS  62   0.846  -2.581 -16.527
  475   2HD   LYS  62          2HD       LYS  62   1.801  -4.008 -16.927
  476   1HE   LYS  62          1HE       LYS  62   0.521  -5.319 -15.307
  477   2HE   LYS  62          2HE       LYS  62  -0.430  -3.891 -14.898
  478   1HZ   LYS  62          1HZ       LYS  62  -1.591  -5.328 -16.460
  479   2HZ   LYS  62          2HZ       LYS  62  -0.325  -5.181 -17.572
  480   3HZ   LYS  62          3HZ       LYS  62  -1.253  -3.826 -17.163
  481    H    GLY  63           H        GLY  63   1.540  -7.167 -12.139
  482   1HA   GLY  63          1HA       GLY  63   2.128  -9.400 -12.011
  483   2HA   GLY  63          2HA       GLY  63   3.333  -9.116 -13.259
  484    H    THR  64           H        THR  64   5.261  -7.810 -12.506
  485    HA   THR  64           HA       THR  64   5.925  -8.219  -9.700
  486    HB   THR  64           HB       THR  64   8.150  -9.168 -10.310
  487    HG1  THR  64           1HG      THR  64   8.659  -9.453 -12.352
  488   1HG2  THR  64          1HG2      THR  64   5.766 -10.795 -11.205
  489   2HG2  THR  64          2HG2      THR  64   6.352 -10.641  -9.549
  490   3HG2  THR  64          3HG2      THR  64   7.347 -11.443 -10.765
  491    H    GLU  65           H        GLU  65   5.466  -6.010 -11.764
  492    HA   GLU  65           HA       GLU  65   8.037  -4.616 -11.558
  493   1HB   GLU  65          1HB       GLU  65   5.583  -3.922 -13.176
  494   2HB   GLU  65          2HB       GLU  65   7.132  -3.096 -13.242
  495   1HG   GLU  65          1HG       GLU  65   8.193  -5.085 -14.127
  496   2HG   GLU  65          2HG       GLU  65   6.678  -5.976 -13.990
  497    H    LEU  66           H        LEU  66   8.225  -3.439  -9.764
  498    HA   LEU  66           HA       LEU  66   5.913  -2.310  -8.449
  499   1HB   LEU  66          1HB       LEU  66   8.827  -2.505  -7.828
  500   2HB   LEU  66          2HB       LEU  66   7.857  -1.316  -6.981
  501    HG   LEU  66           HG       LEU  66   7.295  -4.283  -7.006
  502   1HD1  LEU  66          1HD1      LEU  66   8.534  -2.558  -4.867
  503   2HD1  LEU  66          2HD1      LEU  66   9.373  -3.770  -5.834
  504   3HD1  LEU  66          3HD1      LEU  66   8.109  -4.264  -4.708
  505   1HD2  LEU  66          1HD2      LEU  66   5.745  -3.741  -5.183
  506   2HD2  LEU  66          2HD2      LEU  66   5.293  -2.937  -6.687
  507   3HD2  LEU  66          3HD2      LEU  66   6.091  -2.027  -5.405
  508    H    TYR  67           H        TYR  67   5.059  -0.451  -9.066
  509    HA   TYR  67           HA       TYR  67   6.726   1.556 -10.394
  510   1HB   TYR  67          1HB       TYR  67   3.731   1.254 -10.114
  511   2HB   TYR  67          2HB       TYR  67   4.492   2.670 -10.830
  512    HD1  TYR  67           1HD      TYR  67   4.086  -0.995 -11.197
  513    HD2  TYR  67           2HD      TYR  67   5.204   2.651 -13.081
  514    HE1  TYR  67           1HE      TYR  67   4.149  -2.143 -13.370
  515    HE2  TYR  67           2HE      TYR  67   5.270   1.513 -15.259
  516    HH   TYR  67           HH       TYR  67   3.986  -1.599 -15.746
  517    H    VAL  68           H        VAL  68   5.327   3.877  -9.752
  518    HA   VAL  68           HA       VAL  68   4.867   4.217  -6.992
  519    HB   VAL  68           HB       VAL  68   7.343   3.764  -6.965
  520   1HG1  VAL  68          1HG1      VAL  68   8.849   5.550  -7.664
  521   2HG1  VAL  68          2HG1      VAL  68   7.483   6.469  -8.292
  522   3HG1  VAL  68          3HG1      VAL  68   7.925   4.929  -9.031
  523   1HG2  VAL  68          1HG2      VAL  68   6.406   6.450  -5.957
  524   2HG2  VAL  68          2HG2      VAL  68   7.845   5.595  -5.402
  525   3HG2  VAL  68          3HG2      VAL  68   6.247   4.904  -5.123
  526    H    GLU  69           H        GLU  69   5.288   5.415 -10.153
  527    HA   GLU  69           HA       GLU  69   5.153   8.181  -9.737
  528   1HB   GLU  69          1HB       GLU  69   4.145   6.534 -12.059
  529   2HB   GLU  69          2HB       GLU  69   4.277   8.287 -12.065
  530   1HG   GLU  69          1HG       GLU  69   6.695   8.097 -11.713
  531   2HG   GLU  69          2HG       GLU  69   6.549   6.340 -11.749
  532    HA   PRO  70           HA       PRO  70   0.306   7.767 -10.235
  533   1HB   PRO  70          1HB       PRO  70  -0.685   5.366  -9.311
  534   2HB   PRO  70          2HB       PRO  70  -0.443   5.765 -11.015
  535   1HG   PRO  70          1HG       PRO  70   1.285   4.173  -9.171
  536   2HG   PRO  70          2HG       PRO  70   0.908   3.892 -10.880
  537   1HD   PRO  70          1HD       PRO  70   3.253   4.947 -10.096
  538   2HD   PRO  70          2HD       PRO  70   2.464   5.438 -11.608
  539    H    VAL  71           H        VAL  71   2.278   6.460  -7.711
  540    HA   VAL  71           HA       VAL  71   0.367   6.826  -5.599
  541    HB   VAL  71           HB       VAL  71   3.349   6.650  -5.222
  542   1HG1  VAL  71          1HG1      VAL  71   2.781   5.675  -3.100
  543   2HG1  VAL  71          2HG1      VAL  71   1.070   5.648  -3.523
  544   3HG1  VAL  71          3HG1      VAL  71   1.895   7.188  -3.283
  545   1HG2  VAL  71          1HG2      VAL  71   3.110   4.212  -5.141
  546   2HG2  VAL  71          2HG2      VAL  71   2.717   4.854  -6.737
  547   3HG2  VAL  71          3HG2      VAL  71   1.425   4.364  -5.640
  548    H    TYR  72           H        TYR  72   3.270   8.602  -6.659
  549    HA   TYR  72           HA       TYR  72   3.239  10.611  -4.759
  550   1HB   TYR  72          1HB       TYR  72   3.964  10.875  -7.680
  551   2HB   TYR  72          2HB       TYR  72   4.405  12.014  -6.421
  552    HD1  TYR  72           1HD      TYR  72   5.963   9.947  -8.433
  553    HD2  TYR  72           2HD      TYR  72   5.257  10.244  -4.248
  554    HE1  TYR  72           1HE      TYR  72   8.010   8.658  -8.003
  555    HE2  TYR  72           2HE      TYR  72   7.304   8.956  -3.807
  556    HH   TYR  72           HH       TYR  72   9.649   8.367  -6.152
  557    H    LYS  73           H        LYS  73   1.044  10.021  -7.334
  558    HA   LYS  73           HA       LYS  73   0.002  12.692  -7.476
  559   1HB   LYS  73          1HB       LYS  73  -0.587  10.083  -8.755
  560   2HB   LYS  73          2HB       LYS  73  -1.915  11.235  -8.665
  561   1HG   LYS  73          1HG       LYS  73   0.786  11.909  -9.802
  562   2HG   LYS  73          2HG       LYS  73  -0.567  11.317 -10.772
  563   1HD   LYS  73          1HD       LYS  73  -1.802  13.244 -10.461
  564   2HD   LYS  73          2HD       LYS  73  -0.959  13.667  -8.970
  565   1HE   LYS  73          1HE       LYS  73   1.016  14.282 -10.215
  566   2HE   LYS  73          2HE       LYS  73   0.270  13.750 -11.722
  567   1HZ   LYS  73          1HZ       LYS  73   0.168  16.162 -11.434
  568   2HZ   LYS  73          2HZ       LYS  73  -0.725  15.967 -10.011
  569   3HZ   LYS  73          3HZ       LYS  73  -1.380  15.481 -11.494
  570    H    MET  74           H        MET  74  -1.055   9.645  -5.957
  571    HA   MET  74           HA       MET  74  -3.465  10.837  -4.957
  572   1HB   MET  74          1HB       MET  74  -3.681   8.700  -3.669
  573   2HB   MET  74          2HB       MET  74  -3.545   8.493  -5.409
  574   1HG   MET  74          1HG       MET  74  -1.139   8.004  -5.104
  575   2HG   MET  74          2HG       MET  74  -1.391   8.057  -3.360
  576   1HE   MET  74          1HE       MET  74  -3.262   6.509  -2.173
  577   2HE   MET  74          2HE       MET  74  -3.996   5.101  -2.939
  578   3HE   MET  74          3HE       MET  74  -4.473   6.723  -3.438
  579    H    ILE  75           H        ILE  75  -0.254  10.131  -3.698
  580    HA   ILE  75           HA       ILE  75  -0.639  10.537  -0.994
  581    HB   ILE  75           HB       ILE  75   1.727  11.415  -2.664
  582   1HG1  ILE  75          1HG1      ILE  75   1.412   8.913  -0.999
  583   2HG1  ILE  75          2HG1      ILE  75   1.086   8.965  -2.728
  584   1HG2  ILE  75          1HG2      ILE  75   1.667  12.521  -0.477
  585   2HG2  ILE  75          2HG2      ILE  75   3.005  11.380  -0.601
  586   3HG2  ILE  75          3HG2      ILE  75   1.558  10.945   0.306
  587   1HD1  ILE  75          1HD1      ILE  75   3.728   9.585  -1.426
  588   2HD1  ILE  75          2HD1      ILE  75   3.396   9.590  -3.156
  589   3HD1  ILE  75          3HD1      ILE  75   3.305   8.083  -2.246
  590    H    GLU  76           H        GLU  76  -0.732  12.789  -3.609
  591    HA   GLU  76           HA       GLU  76  -0.254  15.193  -2.234
  592   1HB   GLU  76          1HB       GLU  76  -1.919  14.623  -4.687
  593   2HB   GLU  76          2HB       GLU  76  -1.566  16.245  -4.105
  594   1HG   GLU  76          1HG       GLU  76   0.813  15.857  -4.417
  595   2HG   GLU  76          2HG       GLU  76   0.489  14.212  -4.954
  596    H    VAL  77           H        VAL  77  -3.426  13.810  -3.165
  597    HA   VAL  77           HA       VAL  77  -4.785  15.634  -1.367
  598    HB   VAL  77           HB       VAL  77  -5.996  13.382  -2.971
  599   1HG1  VAL  77          1HG1      VAL  77  -7.430  14.234  -1.206
  600   2HG1  VAL  77          2HG1      VAL  77  -8.048  14.717  -2.786
  601   3HG1  VAL  77          3HG1      VAL  77  -7.189  15.883  -1.783
  602   1HG2  VAL  77          1HG2      VAL  77  -4.769  14.864  -4.461
  603   2HG2  VAL  77          2HG2      VAL  77  -5.579  16.264  -3.761
  604   3HG2  VAL  77          3HG2      VAL  77  -6.507  15.075  -4.674
  605    H    VAL  78           H        VAL  78  -4.000  12.227  -1.528
  606    HA   VAL  78           HA       VAL  78  -5.603  11.241   0.517
  607    HB   VAL  78           HB       VAL  78  -2.954  10.344  -0.608
  608   1HG1  VAL  78          1HG1      VAL  78  -4.558   8.940   1.535
  609   2HG1  VAL  78          2HG1      VAL  78  -2.938   9.610   1.715
  610   3HG1  VAL  78          3HG1      VAL  78  -3.210   8.237   0.645
  611   1HG2  VAL  78          1HG2      VAL  78  -4.344   8.497  -1.467
  612   2HG2  VAL  78          2HG2      VAL  78  -4.875  10.079  -2.035
  613   3HG2  VAL  78          3HG2      VAL  78  -5.763   9.260  -0.751
  614    H    HIS  79           H        HIS  79  -3.106  13.474   0.738
  615    HA   HIS  79           HA       HIS  79  -2.997  13.143   3.647
  616   1HB   HIS  79          1HB       HIS  79  -0.602  13.741   1.894
  617   2HB   HIS  79          2HB       HIS  79  -0.607  13.741   3.652
  618    HD1  HIS  79           1HD      HIS  79  -0.382  11.515   4.831
  619    HD2  HIS  79           2HD      HIS  79  -0.865  11.142   0.721
  620    HE1  HIS  79           1HE      HIS  79   0.067   9.094   4.319
  621    HE2  HIS  79           2HE      HIS  79  -0.178   8.902   1.818
  622    H    ALA  80           H        ALA  80  -4.747  14.828   2.531
  623    HA   ALA  80           HA       ALA  80  -3.784  17.433   2.001
  624   1HB   ALA  80          1HB       ALA  80  -5.995  16.655   1.286
  625   2HB   ALA  80          2HB       ALA  80  -6.099  18.142   2.228
  626   3HB   ALA  80          3HB       ALA  80  -6.515  16.598   2.969
  627    H    GLY  81           H        GLY  81  -3.357  19.131   3.297
  628   1HA   GLY  81          1HA       GLY  81  -4.140  20.096   5.570
  629   2HA   GLY  81          2HA       GLY  81  -3.407  18.625   6.193
  630    H    ASN  82           H        ASN  82  -1.102  18.332   4.974
  631    HA   ASN  82           HA       ASN  82   0.322  20.893   5.247
  632   1HB   ASN  82          1HB       ASN  82   1.148  18.202   6.350
  633   2HB   ASN  82          2HB       ASN  82   2.208  19.606   6.280
  634   1HD2  ASN  82          1HD2      ASN  82   1.834  21.342   7.643
  635   2HD2  ASN  82          2HD2      ASN  82   0.802  21.224   9.022
  636    H    ALA  83           H        ALA  83   1.624  21.380   3.610
  637    HA   ALA  83           HA       ALA  83   1.727  19.840   1.267
  638   1HB   ALA  83          1HB       ALA  83   3.378  21.463   0.485
  639   2HB   ALA  83          2HB       ALA  83   3.553  22.083   2.127
  640   3HB   ALA  83          3HB       ALA  83   2.020  22.265   1.275
  641    H    ASP  84           H        ASP  84   3.766  19.899   4.091
  642    HA   ASP  84           HA       ASP  84   5.882  18.402   2.804
  643   1HB   ASP  84          1HB       ASP  84   5.540  19.001   5.746
  644   2HB   ASP  84          2HB       ASP  84   6.998  18.425   4.937
  645    H    ASP  85           H        ASP  85   3.014  17.738   4.658
  646    HA   ASP  85           HA       ASP  85   3.667  15.188   5.633
  647   1HB   ASP  85          1HB       ASP  85   1.610  16.428   6.282
  648   2HB   ASP  85          2HB       ASP  85   0.962  16.163   4.664
  649    H    ILE  86           H        ILE  86   2.692  16.394   2.541
  650    HA   ILE  86           HA       ILE  86   2.299  13.854   1.278
  651    HB   ILE  86           HB       ILE  86   2.805  16.576   0.053
  652   1HG1  ILE  86          1HG1      ILE  86   0.154  15.185   0.456
  653   2HG1  ILE  86          2HG1      ILE  86   0.797  16.383   1.575
  654   1HG2  ILE  86          1HG2      ILE  86   1.586  14.108  -1.181
  655   2HG2  ILE  86          2HG2      ILE  86   3.223  14.692  -1.477
  656   3HG2  ILE  86          3HG2      ILE  86   1.837  15.664  -1.971
  657   1HD1  ILE  86          1HD1      ILE  86  -0.805  17.377   0.057
  658   2HD1  ILE  86          2HD1      ILE  86   0.148  16.841  -1.327
  659   3HD1  ILE  86          3HD1      ILE  86   0.806  18.043  -0.216
  660    H    GLN  87           H        GLN  87   4.922  16.054   1.847
  661    HA   GLN  87           HA       GLN  87   6.721  14.875  -0.046
  662   1HB   GLN  87          1HB       GLN  87   7.713  16.853   0.246
  663   2HB   GLN  87          2HB       GLN  87   6.647  17.210   1.594
  664   1HG   GLN  87          1HG       GLN  87   8.162  16.222   3.142
  665   2HG   GLN  87          2HG       GLN  87   9.197  15.642   1.838
  666   1HE2  GLN  87          1HE2      GLN  87  10.985  16.738   2.627
  667   2HE2  GLN  87          2HE2      GLN  87  11.142  18.454   2.514
  668    H    LEU  88           H        LEU  88   5.872  14.340   3.269
  669    HA   LEU  88           HA       LEU  88   8.225  12.990   4.079
  670   1HB   LEU  88          1HB       LEU  88   6.637  13.889   5.696
  671   2HB   LEU  88          2HB       LEU  88   5.396  12.793   5.120
  672    HG   LEU  88           HG       LEU  88   6.829  10.884   5.880
  673   1HD1  LEU  88          1HD1      LEU  88   8.419  13.078   7.202
  674   2HD1  LEU  88          2HD1      LEU  88   8.974  12.053   5.878
  675   3HD1  LEU  88          3HD1      LEU  88   8.627  11.344   7.454
  676   1HD2  LEU  88          1HD2      LEU  88   6.276  11.148   8.240
  677   2HD2  LEU  88          2HD2      LEU  88   4.953  11.699   7.212
  678   3HD2  LEU  88          3HD2      LEU  88   6.011  12.875   7.991
  679    H    VAL  89           H        VAL  89   4.993  11.666   3.372
  680    HA   VAL  89           HA       VAL  89   5.819   8.992   3.203
  681    HB   VAL  89           HB       VAL  89   3.575   8.925   3.352
  682   1HG1  VAL  89          1HG1      VAL  89   3.455  11.499   1.803
  683   2HG1  VAL  89          2HG1      VAL  89   3.287  11.291   3.545
  684   3HG1  VAL  89          3HG1      VAL  89   2.051  10.658   2.461
  685   1HG2  VAL  89          1HG2      VAL  89   3.683   9.349   0.370
  686   2HG2  VAL  89          2HG2      VAL  89   2.393   8.552   1.271
  687   3HG2  VAL  89          3HG2      VAL  89   3.998   7.823   1.196
  688    H    LYS  90           H        LYS  90   5.890  11.582   0.886
  689    HA   LYS  90           HA       LYS  90   6.052  10.326  -1.536
  690   1HB   LYS  90          1HB       LYS  90   6.522  12.861  -0.595
  691   2HB   LYS  90          2HB       LYS  90   8.112  12.381  -1.163
  692   1HG   LYS  90          1HG       LYS  90   7.040  13.498  -2.949
  693   2HG   LYS  90          2HG       LYS  90   7.046  11.782  -3.343
  694   1HD   LYS  90          1HD       LYS  90   4.763  11.548  -2.795
  695   2HD   LYS  90          2HD       LYS  90   4.703  13.142  -2.057
  696   1HE   LYS  90          1HE       LYS  90   5.290  12.667  -4.964
  697   2HE   LYS  90          2HE       LYS  90   3.686  13.002  -4.328
  698   1HZ   LYS  90          1HZ       LYS  90   4.505  15.118  -3.483
  699   2HZ   LYS  90          2HZ       LYS  90   4.733  15.009  -5.155
  700   3HZ   LYS  90          3HZ       LYS  90   6.043  14.791  -4.110
  701    H    GLY  91           H        GLY  91   8.685  10.813   0.802
  702   1HA   GLY  91          1HA       GLY  91  10.574   9.342  -0.815
  703   2HA   GLY  91          2HA       GLY  91  10.853   9.987   0.797
  704    H    ILE  92           H        ILE  92   8.405   8.639   1.822
  705    HA   ILE  92           HA       ILE  92   9.607   6.274   2.758
  706    HB   ILE  92           HB       ILE  92   6.667   6.977   2.736
  707   1HG1  ILE  92          1HG1      ILE  92   7.941   8.709   3.863
  708   2HG1  ILE  92          2HG1      ILE  92   7.077   7.750   5.059
  709   1HG2  ILE  92          1HG2      ILE  92   7.010   4.620   3.153
  710   2HG2  ILE  92          2HG2      ILE  92   6.514   5.426   4.642
  711   3HG2  ILE  92          3HG2      ILE  92   8.205   4.986   4.398
  712   1HD1  ILE  92          1HD1      ILE  92  10.000   7.524   4.376
  713   2HD1  ILE  92          2HD1      ILE  92   9.141   6.529   5.553
  714   3HD1  ILE  92          3HD1      ILE  92   9.313   8.263   5.823
  715    H    ALA  93           H        ALA  93   7.540   6.949   0.024
  716    HA   ALA  93           HA       ALA  93   6.705   4.330  -0.561
  717   1HB   ALA  93          1HB       ALA  93   7.174   6.617  -2.472
  718   2HB   ALA  93          2HB       ALA  93   5.688   6.312  -1.572
  719   3HB   ALA  93          3HB       ALA  93   6.225   5.167  -2.801
  720    H    ASN  94           H        ASN  94   9.741   5.908  -0.961
  721    HA   ASN  94           HA       ASN  94  10.722   4.062  -2.961
  722   1HB   ASN  94          1HB       ASN  94  11.506   6.370  -3.002
  723   2HB   ASN  94          2HB       ASN  94  12.137   6.210  -1.365
  724   1HD2  ASN  94          1HD2      ASN  94  14.228   6.689  -1.967
  725   2HD2  ASN  94          2HD2      ASN  94  15.208   5.602  -2.886
  726    H    GLU  95           H        GLU  95  11.008   4.544   0.515
  727    HA   GLU  95           HA       GLU  95  13.127   2.770   1.001
  728   1HB   GLU  95          1HB       GLU  95  10.813   3.432   2.831
  729   2HB   GLU  95          2HB       GLU  95  12.354   2.742   3.318
  730   1HG   GLU  95          1HG       GLU  95  11.921   5.478   2.141
  731   2HG   GLU  95          2HG       GLU  95  12.273   5.105   3.827
  732    H    CYS  96           H        CYS  96   9.802   2.205   0.274
  733    HA   CYS  96           HA       CYS  96   9.816  -0.517   1.271
  734   1HB   CYS  96          1HB       CYS  96   7.718   0.892  -0.385
  735   2HB   CYS  96          2HB       CYS  96   7.515  -0.597   0.533
  736    H    ILE  97           H        ILE  97  10.184   1.158  -1.781
  737    HA   ILE  97           HA       ILE  97   9.849  -1.148  -3.432
  738    HB   ILE  97           HB       ILE  97  11.184   1.490  -4.050
  739   1HG1  ILE  97          1HG1      ILE  97   8.423   0.542  -4.821
  740   2HG1  ILE  97          2HG1      ILE  97   8.738   1.524  -3.395
  741   1HG2  ILE  97          1HG2      ILE  97  10.851   0.879  -6.405
  742   2HG2  ILE  97          2HG2      ILE  97  10.258  -0.704  -5.901
  743   3HG2  ILE  97          3HG2      ILE  97  11.931  -0.244  -5.579
  744   1HD1  ILE  97          1HD1      ILE  97   7.966   2.871  -5.267
  745   2HD1  ILE  97          2HD1      ILE  97   9.330   2.314  -6.238
  746   3HD1  ILE  97          3HD1      ILE  97   9.612   3.302  -4.803
  747    H    GLU  98           H        GLU  98  12.592   0.447  -1.921
  748    HA   GLU  98           HA       GLU  98  14.608  -0.947  -3.349
  749   1HB   GLU  98          1HB       GLU  98  14.711   0.468  -0.684
  750   2HB   GLU  98          2HB       GLU  98  16.117  -0.116  -1.562
  751   1HG   GLU  98          1HG       GLU  98  15.605   1.384  -3.407
  752   2HG   GLU  98          2HG       GLU  98  14.171   1.954  -2.556
  753    H    ASN  99           H        ASN  99  12.526  -1.954  -0.825
  754    HA   ASN  99           HA       ASN  99  14.376  -4.128  -0.122
  755   1HB   ASN  99          1HB       ASN  99  13.495  -4.182   1.988
  756   2HB   ASN  99          2HB       ASN  99  13.264  -2.482   1.618
  757   1HD2  ASN  99          1HD2      ASN  99  11.208  -1.697   1.269
  758   2HD2  ASN  99          2HD2      ASN  99   9.789  -2.603   1.656
  759    H    ALA 100           H        ALA 100  11.522  -3.442  -1.834
  760    HA   ALA 100           HA       ALA 100  10.560  -6.200  -1.609
  761   1HB   ALA 100          1HB       ALA 100   9.270  -3.800  -2.903
  762   2HB   ALA 100          2HB       ALA 100   8.897  -4.449  -1.305
  763   3HB   ALA 100          3HB       ALA 100   8.547  -5.401  -2.747
  764    H    LYS 101           H        LYS 101  12.326  -4.156  -3.711
  765    HA   LYS 101           HA       LYS 101  11.710  -5.367  -6.192
  766   1HB   LYS 101          1HB       LYS 101  13.207  -3.915  -7.074
  767   2HB   LYS 101          2HB       LYS 101  13.078  -3.161  -5.492
  768   1HG   LYS 101          1HG       LYS 101  15.171  -5.164  -6.266
  769   2HG   LYS 101          2HG       LYS 101  15.401  -3.416  -6.287
  770   1HD   LYS 101          1HD       LYS 101  15.820  -3.383  -4.098
  771   2HD   LYS 101          2HD       LYS 101  14.342  -4.284  -3.748
  772   1HE   LYS 101          1HE       LYS 101  15.479  -6.381  -4.178
  773   2HE   LYS 101          2HE       LYS 101  16.943  -5.519  -4.650
  774   1HZ   LYS 101          1HZ       LYS 101  17.137  -4.670  -2.404
  775   2HZ   LYS 101          2HZ       LYS 101  17.073  -6.360  -2.380
  776   3HZ   LYS 101          3HZ       LYS 101  15.710  -5.458  -1.946
  777    H    GLY 102           H        GLY 102  13.731  -6.343  -7.472
  778   1HA   GLY 102          1HA       GLY 102  15.124  -8.142  -7.777
  779   2HA   GLY 102          2HA       GLY 102  15.514  -8.025  -6.069
  780    H    GLU 103           H        GLU 103  12.223  -8.325  -6.344
  781    HA   GLU 103           HA       GLU 103  12.361 -11.122  -5.564
  782   1HB   GLU 103          1HB       GLU 103  10.215  -9.023  -5.457
  783   2HB   GLU 103          2HB       GLU 103   9.841 -10.720  -5.182
  784   1HG   GLU 103          1HG       GLU 103  11.787  -9.052  -3.603
  785   2HG   GLU 103          2HG       GLU 103  10.170  -9.537  -3.089
  786    H    THR 104           H        THR 104  10.725 -12.654  -6.441
  787    HA   THR 104           HA       THR 104  10.267 -12.155  -9.311
  788    HB   THR 104           HB       THR 104  12.003 -13.826  -9.039
  789    HG1  THR 104           1HG      THR 104   9.488 -14.541 -10.036
  790   1HG2  THR 104          1HG2      THR 104   9.976 -15.368  -7.413
  791   2HG2  THR 104          2HG2      THR 104  11.435 -14.600  -6.788
  792   3HG2  THR 104          3HG2      THR 104  11.562 -15.956  -7.908
  793    H    ASP 105           H        ASP 105   8.891 -13.166  -6.309
  794    HA   ASP 105           HA       ASP 105   6.496 -14.175  -7.649
  795   1HB   ASP 105          1HB       ASP 105   7.406 -15.535  -5.825
  796   2HB   ASP 105          2HB       ASP 105   7.230 -14.177  -4.718
  797    H    GLU 106           H        GLU 106   4.480 -13.271  -7.421
  798    HA   GLU 106           HA       GLU 106   4.305 -10.494  -7.229
  799   1HB   GLU 106          1HB       GLU 106   2.672 -11.840  -8.446
  800   2HB   GLU 106          2HB       GLU 106   2.110 -12.549  -6.937
  801   1HG   GLU 106          1HG       GLU 106   1.371 -10.331  -6.187
  802   2HG   GLU 106          2HG       GLU 106   1.898  -9.653  -7.727
  803    H    CYS 107           H        CYS 107   2.685 -12.753  -4.984
  804    HA   CYS 107           HA       CYS 107   2.075 -10.920  -3.031
  805   1HB   CYS 107          1HB       CYS 107   2.526 -13.877  -2.977
  806   2HB   CYS 107          2HB       CYS 107   2.225 -13.011  -1.473
  807    H    ASN 108           H        ASN 108   5.155 -12.382  -3.704
  808    HA   ASN 108           HA       ASN 108   6.346 -11.801  -1.180
  809   1HB   ASN 108          1HB       ASN 108   7.374 -12.581  -3.879
  810   2HB   ASN 108          2HB       ASN 108   8.506 -11.943  -2.691
  811   1HD2  ASN 108          1HD2      ASN 108   8.979 -13.130  -0.867
  812   2HD2  ASN 108          2HD2      ASN 108   8.539 -14.793  -0.697
  813    H    ILE 109           H        ILE 109   6.108 -10.117  -4.267
  814    HA   ILE 109           HA       ILE 109   7.759  -7.917  -3.555
  815    HB   ILE 109           HB       ILE 109   5.793  -8.464  -5.739
  816   1HG1  ILE 109          1HG1      ILE 109   8.653  -7.476  -5.725
  817   2HG1  ILE 109          2HG1      ILE 109   8.155  -9.148  -5.938
  818   1HG2  ILE 109          1HG2      ILE 109   6.867  -5.721  -5.100
  819   2HG2  ILE 109          2HG2      ILE 109   5.176  -6.221  -5.116
  820   3HG2  ILE 109          3HG2      ILE 109   6.095  -6.172  -6.619
  821   1HD1  ILE 109          1HD1      ILE 109   6.982  -8.512  -8.001
  822   2HD1  ILE 109          2HD1      ILE 109   8.712  -8.177  -8.062
  823   3HD1  ILE 109          3HD1      ILE 109   7.567  -6.861  -7.796
  824    H    GLY 110           H        GLY 110   4.331  -8.628  -3.277
  825   1HA   GLY 110          1HA       GLY 110   3.475  -6.038  -2.530
  826   2HA   GLY 110          2HA       GLY 110   2.609  -7.536  -2.227
  827    H    ASN 111           H        ASN 111   4.115  -8.920  -0.517
  828    HA   ASN 111           HA       ASN 111   3.617  -7.776   1.954
  829   1HB   ASN 111          1HB       ASN 111   3.951 -10.118   1.883
  830   2HB   ASN 111          2HB       ASN 111   5.532  -9.950   1.133
  831   1HD2  ASN 111          1HD2      ASN 111   4.621  -7.862   3.766
  832   2HD2  ASN 111          2HD2      ASN 111   5.639  -8.594   4.954
  833    H    LYS 112           H        LYS 112   6.822  -8.108   0.420
  834    HA   LYS 112           HA       LYS 112   8.263  -6.662   2.299
  835   1HB   LYS 112          1HB       LYS 112   8.759  -6.860  -0.675
  836   2HB   LYS 112          2HB       LYS 112   9.936  -6.330   0.517
  837   1HG   LYS 112          1HG       LYS 112   8.654  -9.047   0.591
  838   2HG   LYS 112          2HG       LYS 112  10.146  -8.705  -0.286
  839   1HD   LYS 112          1HD       LYS 112  11.052  -9.369   1.693
  840   2HD   LYS 112          2HD       LYS 112  10.825  -7.658   2.061
  841   1HE   LYS 112          1HE       LYS 112   8.695  -8.179   3.151
  842   2HE   LYS 112          2HE       LYS 112   8.918  -9.886   2.774
  843   1HZ   LYS 112          1HZ       LYS 112  10.893  -9.901   4.157
  844   2HZ   LYS 112          2HZ       LYS 112   9.556  -9.374   5.050
  845   3HZ   LYS 112          3HZ       LYS 112  10.700  -8.255   4.502
  846    H    TYR 113           H        TYR 113   6.025  -5.535  -0.056
  847    HA   TYR 113           HA       TYR 113   7.047  -2.821  -0.049
  848   1HB   TYR 113          1HB       TYR 113   5.991  -3.926  -2.070
  849   2HB   TYR 113          2HB       TYR 113   4.445  -3.778  -1.238
  850    HD1  TYR 113           1HD      TYR 113   3.152  -2.005  -1.957
  851    HD2  TYR 113           2HD      TYR 113   7.384  -1.569  -1.905
  852    HE1  TYR 113           1HE      TYR 113   2.918   0.294  -2.803
  853    HE2  TYR 113           2HE      TYR 113   7.169   0.725  -2.746
  854    HH   TYR 113           HH       TYR 113   5.520   2.079  -4.011
  855    H    THR 114           H        THR 114   3.827  -4.187   0.682
  856    HA   THR 114           HA       THR 114   2.817  -1.982   2.026
  857    HB   THR 114           HB       THR 114   1.387  -3.824   1.304
  858    HG1  THR 114           1HG      THR 114   0.623  -2.516   3.018
  859   1HG2  THR 114          1HG2      THR 114   2.955  -5.661   1.876
  860   2HG2  THR 114          2HG2      THR 114   1.322  -5.938   2.478
  861   3HG2  THR 114          3HG2      THR 114   2.588  -5.403   3.582
  862    H    ASP 115           H        ASP 115   4.901  -4.537   3.156
  863    HA   ASP 115           HA       ASP 115   4.595  -4.283   5.916
  864   1HB   ASP 115          1HB       ASP 115   5.871  -6.096   4.814
  865   2HB   ASP 115          2HB       ASP 115   7.126  -4.934   4.388
  866    H    CYS 116           H        CYS 116   7.058  -2.796   3.829
  867    HA   CYS 116           HA       CYS 116   8.223  -1.199   5.801
  868   1HB   CYS 116          1HB       CYS 116   9.600  -1.267   3.993
  869   2HB   CYS 116          2HB       CYS 116   8.265  -1.317   2.847
  870    H    TYR 117           H        TYR 117   5.559  -0.540   3.571
  871    HA   TYR 117           HA       TYR 117   5.290   2.196   4.001
  872   1HB   TYR 117          1HB       TYR 117   3.957   0.313   2.517
  873   2HB   TYR 117          2HB       TYR 117   2.745   0.760   3.713
  874    HD1  TYR 117           1HD      TYR 117   1.227   2.257   2.842
  875    HD2  TYR 117           2HD      TYR 117   5.327   2.673   1.792
  876    HE1  TYR 117           1HE      TYR 117   0.683   4.274   1.546
  877    HE2  TYR 117           2HE      TYR 117   4.795   4.691   0.491
  878    HH   TYR 117           HH       TYR 117   2.810   5.672  -0.654
  879    H    ILE 118           H        ILE 118   3.947  -0.519   5.831
  880    HA   ILE 118           HA       ILE 118   2.495   1.177   7.644
  881    HB   ILE 118           HB       ILE 118   3.202  -1.746   7.940
  882   1HG1  ILE 118          1HG1      ILE 118   0.648  -0.505   6.893
  883   2HG1  ILE 118          2HG1      ILE 118   1.905  -1.191   5.870
  884   1HG2  ILE 118          1HG2      ILE 118   2.568  -0.698  10.045
  885   2HG2  ILE 118          2HG2      ILE 118   1.315  -1.813   9.499
  886   3HG2  ILE 118          3HG2      ILE 118   1.095  -0.074   9.304
  887   1HD1  ILE 118          1HD1      ILE 118   1.555  -3.373   6.931
  888   2HD1  ILE 118          2HD1      ILE 118   0.092  -2.758   6.160
  889   3HD1  ILE 118          3HD1      ILE 118   0.268  -2.674   7.913
  890    H    GLU 119           H        GLU 119   5.710  -0.041   7.426
  891    HA   GLU 119           HA       GLU 119   6.360   0.019  10.187
  892   1HB   GLU 119          1HB       GLU 119   7.628  -1.154   8.311
  893   2HB   GLU 119          2HB       GLU 119   8.305   0.421   7.921
  894   1HG   GLU 119          1HG       GLU 119   8.546  -0.881  10.622
  895   2HG   GLU 119          2HG       GLU 119   9.748  -1.036   9.342
  896    H    LYS 120           H        LYS 120   7.265   2.293   7.572
  897    HA   LYS 120           HA       LYS 120   7.990   4.288   9.545
  898   1HB   LYS 120          1HB       LYS 120   8.044   4.398   6.531
  899   2HB   LYS 120          2HB       LYS 120   8.710   5.618   7.608
  900   1HG   LYS 120          1HG       LYS 120  10.237   3.882   8.527
  901   2HG   LYS 120          2HG       LYS 120   9.644   2.777   7.284
  902   1HD   LYS 120          1HD       LYS 120  10.412   4.305   5.545
  903   2HD   LYS 120          2HD       LYS 120  10.976   5.435   6.777
  904   1HE   LYS 120          1HE       LYS 120  11.999   2.639   6.301
  905   2HE   LYS 120          2HE       LYS 120  12.835   4.141   5.910
  906   1HZ   LYS 120          1HZ       LYS 120  12.851   4.674   8.287
  907   2HZ   LYS 120          2HZ       LYS 120  13.673   3.232   7.960
  908   3HZ   LYS 120          3HZ       LYS 120  12.120   3.187   8.631
  909    H    LEU 121           H        LEU 121   5.742   4.154   6.780
  910    HA   LEU 121           HA       LEU 121   4.486   6.622   7.593
  911   1HB   LEU 121          1HB       LEU 121   4.861   6.027   5.217
  912   2HB   LEU 121          2HB       LEU 121   3.714   4.716   5.391
  913    HG   LEU 121           HG       LEU 121   1.936   6.340   5.880
  914   1HD1  LEU 121          1HD1      LEU 121   2.340   8.727   5.465
  915   2HD1  LEU 121          2HD1      LEU 121   4.062   8.393   5.292
  916   3HD1  LEU 121          3HD1      LEU 121   3.264   8.125   6.841
  917   1HD2  LEU 121          1HD2      LEU 121   2.227   5.569   3.611
  918   2HD2  LEU 121          2HD2      LEU 121   3.444   6.809   3.316
  919   3HD2  LEU 121          3HD2      LEU 121   1.767   7.272   3.608
  920    H    PHE 122           H        PHE 122   4.044   3.390   8.482
  921    HA   PHE 122           HA       PHE 122   2.452   2.345   9.721
  922   1HB   PHE 122          1HB       PHE 122   2.214   4.072  11.243
  923   2HB   PHE 122          2HB       PHE 122   1.650   5.207  10.028
  924    HD1  PHE 122           1HD      PHE 122   0.617   2.100  11.797
  925    HD2  PHE 122           2HD      PHE 122  -0.597   5.718   9.914
  926    HE1  PHE 122           1HE      PHE 122  -1.702   1.676  12.486
  927    HE2  PHE 122           2HE      PHE 122  -2.922   5.301  10.606
  928    HZ   PHE 122           HZ       PHE 122  -3.478   3.279  11.894
  929    H    SER 123           H        SER 123   1.841   3.865   6.811
  930    HA   SER 123           HA       SER 123  -0.918   3.111   6.515
  931   1HB   SER 123          1HB       SER 123  -0.115   5.037   5.290
  932   2HB   SER 123          2HB       SER 123   1.138   4.070   4.512
  933    HG   SER 123           HG       SER 123  -0.278   3.379   3.118
  934   1H4   TSD 124          1H4       TSP 124  -4.335   0.843  -0.154
  935   2H4   TSD 124          2H4       TSP 124  -4.832  -0.649   0.612
  936   3H4   TSD 124          3H4       TSP 124  -3.551  -0.661  -0.579
  937   1H5   TSD 124          1H5       TSP 124  -1.089   0.857  -0.041
  938   2H5   TSD 124          2H5       TSP 124  -0.569   1.149   1.602
  939   3H5   TSD 124          3H5       TSP 124  -1.726   2.223   0.847
  940   1H6   TSD 124          1H6       TSP 124  -1.523  -1.890   1.376
  941   2H6   TSD 124          2H6       TSP 124  -2.937  -2.084   2.386
  942   3H6   TSD 124          3H6       TSP 124  -1.518  -1.276   3.013
  943   1D3   TSD 124          1D3       TSP 124  -2.821   1.241   3.676
  944   2D3   TSD 124          2D3       TSP 124  -3.959   1.967   2.560
  945   1D2   TSD 124          1D2       TSP 124  -4.350  -0.638   4.065
  946   2D2   TSD 124          2D2       TSP 124  -5.480   0.012   2.877
  Start of MODEL   16
    1    HA   ILE   1           HA       ILE   1  -0.278  12.842  11.602
    2    HB   ILE   1           HB       ILE   1  -1.039  11.954   9.390
    3   1HG1  ILE   1          1HG1      ILE   1   1.276  10.034   9.727
    4   2HG1  ILE   1          2HG1      ILE   1  -0.419   9.579   9.848
    5   1HG2  ILE   1          1HG2      ILE   1   0.663  13.686   9.553
    6   2HG2  ILE   1          2HG2      ILE   1   0.992  12.613   8.194
    7   3HG2  ILE   1          3HG2      ILE   1   1.920  12.456   9.686
    8   1HD1  ILE   1          1HD1      ILE   1  -0.758  10.250   7.522
    9   2HD1  ILE   1          2HD1      ILE   1   0.488   9.010   7.675
   10   3HD1  ILE   1          3HD1      ILE   1   0.946  10.693   7.408
   11    H    ASP   2           H        ASP   2  -2.591  12.431  10.988
   12    HA   ASP   2           HA       ASP   2  -3.799  10.755  12.938
   13   1HB   ASP   2          1HB       ASP   2  -5.075  12.139  10.569
   14   2HB   ASP   2          2HB       ASP   2  -5.919  11.503  11.979
   15    H    GLN   3           H        GLN   3  -4.663   8.774  12.801
   16    HA   GLN   3           HA       GLN   3  -3.864   6.926  10.919
   17   1HB   GLN   3          1HB       GLN   3  -5.843   5.565  11.736
   18   2HB   GLN   3          2HB       GLN   3  -4.724   6.119  12.972
   19   1HG   GLN   3          1HG       GLN   3  -6.250   7.945  13.530
   20   2HG   GLN   3          2HG       GLN   3  -7.373   7.378  12.295
   21   1HE2  GLN   3          1HE2      GLN   3  -9.010   7.031  13.787
   22   2HE2  GLN   3          2HE2      GLN   3  -8.976   5.720  14.910
   23    H    ASP   4           H        ASP   4  -6.674   8.999  10.940
   24    HA   ASP   4           HA       ASP   4  -8.210   7.928   8.922
   25   1HB   ASP   4          1HB       ASP   4  -7.707  10.870   9.423
   26   2HB   ASP   4          2HB       ASP   4  -9.083  10.191   8.559
   27    H    THR   5           H        THR   5  -5.516  10.203   8.637
   28    HA   THR   5           HA       THR   5  -5.488  10.717   5.939
   29    HB   THR   5           HB       THR   5  -3.072  10.224   7.687
   30    HG1  THR   5           1HG      THR   5  -3.294  12.702   7.611
   31   1HG2  THR   5          1HG2      THR   5  -1.967  11.804   6.110
   32   2HG2  THR   5          2HG2      THR   5  -3.401  11.714   5.088
   33   3HG2  THR   5          3HG2      THR   5  -2.427  10.272   5.369
   34    H    VAL   6           H        VAL   6  -4.342   7.850   7.609
   35    HA   VAL   6           HA       VAL   6  -3.337   6.700   5.138
   36    HB   VAL   6           HB       VAL   6  -3.494   5.451   7.883
   37   1HG1  VAL   6          1HG1      VAL   6  -1.795   3.909   7.020
   38   2HG1  VAL   6          2HG1      VAL   6  -1.912   4.674   5.436
   39   3HG1  VAL   6          3HG1      VAL   6  -3.296   3.809   6.101
   40   1HG2  VAL   6          1HG2      VAL   6  -1.190   6.868   6.547
   41   2HG2  VAL   6          2HG2      VAL   6  -1.135   6.040   8.102
   42   3HG2  VAL   6          3HG2      VAL   6  -2.134   7.479   7.905
   43    H    VAL   7           H        VAL   7  -5.514   5.426   7.663
   44    HA   VAL   7           HA       VAL   7  -6.571   3.387   6.061
   45    HB   VAL   7           HB       VAL   7  -7.840   4.660   8.482
   46   1HG1  VAL   7          1HG1      VAL   7  -8.962   2.489   8.742
   47   2HG1  VAL   7          2HG1      VAL   7  -8.255   1.952   7.219
   48   3HG1  VAL   7          3HG1      VAL   7  -9.408   3.285   7.233
   49   1HG2  VAL   7          1HG2      VAL   7  -5.565   3.910   8.941
   50   2HG2  VAL   7          2HG2      VAL   7  -5.947   2.320   8.279
   51   3HG2  VAL   7          3HG2      VAL   7  -6.744   2.878   9.750
   52    H    ALA   8           H        ALA   8  -8.295   6.305   7.184
   53    HA   ALA   8           HA       ALA   8 -10.576   5.895   5.638
   54   1HB   ALA   8          1HB       ALA   8  -9.477   8.521   6.625
   55   2HB   ALA   8          2HB       ALA   8 -10.483   7.410   7.552
   56   3HB   ALA   8          3HB       ALA   8 -11.138   8.206   6.122
   57    H    LYS   9           H        LYS   9  -7.492   7.245   4.663
   58    HA   LYS   9           HA       LYS   9  -8.693   8.431   2.285
   59   1HB   LYS   9          1HB       LYS   9  -5.806   8.334   3.154
   60   2HB   LYS   9          2HB       LYS   9  -6.432   9.236   1.782
   61   1HG   LYS   9          1HG       LYS   9  -7.292   9.696   4.630
   62   2HG   LYS   9          2HG       LYS   9  -6.022  10.610   3.815
   63   1HD   LYS   9          1HD       LYS   9  -7.621  11.371   2.143
   64   2HD   LYS   9          2HD       LYS   9  -8.895  10.420   2.908
   65   1HE   LYS   9          1HE       LYS   9  -9.006  12.799   3.520
   66   2HE   LYS   9          2HE       LYS   9  -8.731  11.760   4.918
   67   1HZ   LYS   9          1HZ       LYS   9  -7.319  13.723   4.970
   68   2HZ   LYS   9          2HZ       LYS   9  -6.640  13.304   3.480
   69   3HZ   LYS   9          3HZ       LYS   9  -6.385  12.319   4.831
   70    H    TYR  10           H        TYR  10  -6.046   6.112   2.895
   71    HA   TYR  10           HA       TYR  10  -5.748   5.235   0.276
   72   1HB   TYR  10          1HB       TYR  10  -5.204   3.907   2.920
   73   2HB   TYR  10          2HB       TYR  10  -4.896   3.072   1.403
   74    HD1  TYR  10           1HD      TYR  10  -3.572   4.702  -0.353
   75    HD2  TYR  10           2HD      TYR  10  -3.359   4.885   3.891
   76    HE1  TYR  10           1HE      TYR  10  -1.376   5.793  -0.517
   77    HE2  TYR  10           2HE      TYR  10  -1.158   5.980   3.745
   78    HH   TYR  10           HH       TYR  10   0.060   7.245   0.832
   79    H    MET  11           H        MET  11  -8.303   4.632   2.469
   80    HA   MET  11           HA       MET  11  -9.194   2.198   1.183
   81   1HB   MET  11          1HB       MET  11  -9.566   2.475   3.576
   82   2HB   MET  11          2HB       MET  11 -10.488   3.942   3.287
   83   1HG   MET  11          1HG       MET  11 -12.229   2.701   2.202
   84   2HG   MET  11          2HG       MET  11 -11.282   1.217   2.292
   85   1HE   MET  11          1HE       MET  11 -11.256   0.465   6.118
   86   2HE   MET  11          2HE       MET  11 -10.034   1.310   5.167
   87   3HE   MET  11          3HE       MET  11 -10.825  -0.126   4.514
   88    H    GLU  12           H        GLU  12 -10.619   5.430   1.652
   89    HA   GLU  12           HA       GLU  12 -12.706   5.103  -0.199
   90   1HB   GLU  12          1HB       GLU  12 -12.724   6.818   1.547
   91   2HB   GLU  12          2HB       GLU  12 -11.370   7.634   0.776
   92   1HG   GLU  12          1HG       GLU  12 -12.732   8.143  -1.155
   93   2HG   GLU  12          2HG       GLU  12 -14.084   7.243  -0.469
   94    H    TYR  13           H        TYR  13  -9.368   5.851  -0.626
   95    HA   TYR  13           HA       TYR  13  -9.501   7.229  -3.085
   96   1HB   TYR  13          1HB       TYR  13  -7.517   6.949  -1.441
   97   2HB   TYR  13          2HB       TYR  13  -7.201   5.454  -2.313
   98    HD1  TYR  13           1HD      TYR  13  -7.397   9.126  -2.640
   99    HD2  TYR  13           2HD      TYR  13  -6.178   5.481  -4.465
  100    HE1  TYR  13           1HE      TYR  13  -6.149  10.399  -4.332
  101    HE2  TYR  13           2HE      TYR  13  -4.929   6.746  -6.167
  102    HH   TYR  13           HH       TYR  13  -4.981   9.023  -7.176
  103    H    LEU  14           H        LEU  14  -9.335   3.794  -2.290
  104    HA   LEU  14           HA       LEU  14 -10.129   3.170  -5.031
  105   1HB   LEU  14          1HB       LEU  14  -7.743   1.945  -3.648
  106   2HB   LEU  14          2HB       LEU  14  -8.456   1.321  -5.120
  107    HG   LEU  14           HG       LEU  14  -7.276   4.084  -4.865
  108   1HD1  LEU  14          1HD1      LEU  14  -6.065   1.595  -6.059
  109   2HD1  LEU  14          2HD1      LEU  14  -5.565   2.365  -4.553
  110   3HD1  LEU  14          3HD1      LEU  14  -5.362   3.212  -6.087
  111   1HD2  LEU  14          1HD2      LEU  14  -8.126   2.468  -7.267
  112   2HD2  LEU  14          2HD2      LEU  14  -7.350   4.051  -7.313
  113   3HD2  LEU  14          3HD2      LEU  14  -8.962   3.878  -6.614
  114    H    MET  15           H        MET  15 -11.811   3.112  -2.888
  115    HA   MET  15           HA       MET  15 -11.920   0.665  -1.502
  116   1HB   MET  15          1HB       MET  15 -13.156   2.905  -1.065
  117   2HB   MET  15          2HB       MET  15 -14.372   2.257  -2.155
  118   1HG   MET  15          1HG       MET  15 -14.559   0.272  -0.690
  119   2HG   MET  15          2HG       MET  15 -13.441   1.044   0.430
  120   1HE   MET  15          1HE       MET  15 -13.973   3.359   1.671
  121   2HE   MET  15          2HE       MET  15 -15.496   4.229   1.496
  122   3HE   MET  15          3HE       MET  15 -14.382   4.119   0.133
  123    HA   PRO  16           HA       PRO  16 -15.121  -0.780  -4.833
  124   1HB   PRO  16          1HB       PRO  16 -15.123   0.485  -7.227
  125   2HB   PRO  16          2HB       PRO  16 -16.136   1.003  -5.874
  126   1HG   PRO  16          1HG       PRO  16 -13.501   2.094  -6.794
  127   2HG   PRO  16          2HG       PRO  16 -14.965   2.971  -6.310
  128   1HD   PRO  16          1HD       PRO  16 -12.864   2.640  -4.648
  129   2HD   PRO  16          2HD       PRO  16 -14.538   2.694  -4.058
  130    H    ASP  17           H        ASP  17 -11.874   0.079  -5.320
  131    HA   ASP  17           HA       ASP  17 -11.504  -1.825  -7.509
  132   1HB   ASP  17          1HB       ASP  17  -9.535   0.055  -6.192
  133   2HB   ASP  17          2HB       ASP  17  -9.191  -0.970  -7.583
  134    H    ILE  18           H        ILE  18 -11.269  -1.622  -4.115
  135    HA   ILE  18           HA       ILE  18  -9.271  -3.698  -3.834
  136    HB   ILE  18           HB       ILE  18 -11.005  -2.238  -1.848
  137   1HG1  ILE  18          1HG1      ILE  18  -8.000  -2.359  -2.066
  138   2HG1  ILE  18          2HG1      ILE  18  -8.963  -1.151  -2.910
  139   1HG2  ILE  18          1HG2      ILE  18  -9.733  -3.427  -0.079
  140   2HG2  ILE  18          2HG2      ILE  18  -9.068  -4.487  -1.320
  141   3HG2  ILE  18          3HG2      ILE  18 -10.802  -4.481  -1.003
  142   1HD1  ILE  18          1HD1      ILE  18  -8.845  -1.545   0.072
  143   2HD1  ILE  18          2HD1      ILE  18  -9.799  -0.325  -0.773
  144   3HD1  ILE  18          3HD1      ILE  18  -8.038  -0.271  -0.842
  145    H    MET  19           H        MET  19 -12.759  -3.370  -3.268
  146    HA   MET  19           HA       MET  19 -13.428  -5.789  -2.237
  147   1HB   MET  19          1HB       MET  19 -14.954  -4.334  -4.402
  148   2HB   MET  19          2HB       MET  19 -15.616  -5.552  -3.321
  149   1HG   MET  19          1HG       MET  19 -15.259  -4.122  -1.419
  150   2HG   MET  19          2HG       MET  19 -14.455  -2.924  -2.431
  151   1HE   MET  19          1HE       MET  19 -16.029  -1.048  -1.459
  152   2HE   MET  19          2HE       MET  19 -16.891  -2.214  -0.457
  153   3HE   MET  19          3HE       MET  19 -17.792  -1.112  -1.498
  154    HA   PRO  20           HA       PRO  20 -13.723  -7.501  -6.983
  155   1HB   PRO  20          1HB       PRO  20 -11.034  -6.279  -7.497
  156   2HB   PRO  20          2HB       PRO  20 -12.304  -6.714  -8.647
  157   1HG   PRO  20          1HG       PRO  20 -11.975  -4.185  -7.867
  158   2HG   PRO  20          2HG       PRO  20 -13.592  -4.862  -8.131
  159   1HD   PRO  20          1HD       PRO  20 -12.236  -4.159  -5.601
  160   2HD   PRO  20          2HD       PRO  20 -13.968  -4.268  -5.961
  161    H    CYS  21           H        CYS  21 -10.367  -7.036  -5.808
  162    HA   CYS  21           HA       CYS  21  -9.791  -9.816  -6.111
  163   1HB   CYS  21          1HB       CYS  21  -8.259  -7.493  -4.990
  164   2HB   CYS  21          2HB       CYS  21  -7.650  -9.137  -4.834
  165    H    ALA  22           H        ALA  22 -10.898  -7.834  -3.474
  166    HA   ALA  22           HA       ALA  22 -10.163  -9.338  -1.275
  167   1HB   ALA  22          1HB       ALA  22 -12.154  -8.442  -0.165
  168   2HB   ALA  22          2HB       ALA  22 -12.793  -7.927  -1.725
  169   3HB   ALA  22          3HB       ALA  22 -11.318  -7.199  -1.093
  170    H    ASP  23           H        ASP  23 -12.874  -9.834  -3.491
  171    HA   ASP  23           HA       ASP  23 -13.755 -12.202  -2.073
  172   1HB   ASP  23          1HB       ASP  23 -15.436 -10.760  -3.095
  173   2HB   ASP  23          2HB       ASP  23 -14.683 -10.961  -4.674
  174    H    GLU  24           H        GLU  24 -11.520 -11.415  -4.496
  175    HA   GLU  24           HA       GLU  24 -11.601 -13.650  -6.165
  176   1HB   GLU  24          1HB       GLU  24 -10.278 -11.525  -6.502
  177   2HB   GLU  24          2HB       GLU  24  -9.094 -12.177  -5.381
  178   1HG   GLU  24          1HG       GLU  24  -8.392 -12.564  -7.655
  179   2HG   GLU  24          2HG       GLU  24  -8.753 -14.096  -6.860
  180    H    LEU  25           H        LEU  25  -9.478 -13.110  -3.312
  181    HA   LEU  25           HA       LEU  25  -8.688 -15.919  -3.423
  182   1HB   LEU  25          1HB       LEU  25  -7.940 -13.786  -1.416
  183   2HB   LEU  25          2HB       LEU  25  -7.164 -15.346  -1.617
  184    HG   LEU  25           HG       LEU  25  -7.191 -13.304  -3.831
  185   1HD1  LEU  25          1HD1      LEU  25  -5.029 -12.539  -3.092
  186   2HD1  LEU  25          2HD1      LEU  25  -5.062 -13.655  -1.726
  187   3HD1  LEU  25          3HD1      LEU  25  -6.201 -12.310  -1.793
  188   1HD2  LEU  25          1HD2      LEU  25  -5.327 -15.592  -3.205
  189   2HD2  LEU  25          2HD2      LEU  25  -5.282 -14.552  -4.628
  190   3HD2  LEU  25          3HD2      LEU  25  -6.640 -15.649  -4.382
  191    H    HIS  26           H        HIS  26 -10.421 -13.721  -1.257
  192    HA   HIS  26           HA       HIS  26 -12.227 -15.599  -0.312
  193   1HB   HIS  26          1HB       HIS  26 -10.216 -16.661   0.712
  194   2HB   HIS  26          2HB       HIS  26  -9.944 -15.188   1.633
  195    HD1  HIS  26           1HD      HIS  26 -10.549 -15.712   3.975
  196    HD2  HIS  26           2HD      HIS  26 -13.283 -17.300   1.279
  197    HE1  HIS  26           1HE      HIS  26 -12.358 -16.747   5.381
  198    HE2  HIS  26           2HE      HIS  26 -14.043 -17.624   3.730
  199    H    ILE  27           H        ILE  27 -10.174 -13.184   1.229
  200    HA   ILE  27           HA       ILE  27 -12.443 -11.374   1.637
  201    HB   ILE  27           HB       ILE  27 -11.736 -11.087   4.021
  202   1HG1  ILE  27          1HG1      ILE  27  -9.906 -13.339   3.200
  203   2HG1  ILE  27          2HG1      ILE  27  -9.508 -11.840   4.033
  204   1HG2  ILE  27          1HG2      ILE  27 -13.656 -12.514   3.377
  205   2HG2  ILE  27          2HG2      ILE  27 -12.861 -13.061   4.853
  206   3HG2  ILE  27          3HG2      ILE  27 -12.574 -13.904   3.330
  207   1HD1  ILE  27          1HD1      ILE  27  -9.312 -13.712   5.535
  208   2HD1  ILE  27          2HD1      ILE  27 -10.980 -14.183   5.215
  209   3HD1  ILE  27          3HD1      ILE  27 -10.636 -12.666   6.047
  210    H    SER  28           H        SER  28 -11.670  -9.246   2.536
  211    HA   SER  28           HA       SER  28  -9.188  -8.459   1.251
  212   1HB   SER  28          1HB       SER  28 -10.496  -6.406   2.868
  213   2HB   SER  28          2HB       SER  28 -10.096  -6.396   1.149
  214    HG   SER  28           HG       SER  28 -12.197  -6.528   0.962
  215    H    GLU  29           H        GLU  29  -7.295  -8.288   2.278
  216    HA   GLU  29           HA       GLU  29  -6.841  -9.196   4.846
  217   1HB   GLU  29          1HB       GLU  29  -5.297  -7.702   2.846
  218   2HB   GLU  29          2HB       GLU  29  -4.757  -7.475   4.502
  219   1HG   GLU  29          1HG       GLU  29  -4.758  -9.933   2.829
  220   2HG   GLU  29          2HG       GLU  29  -3.488  -9.236   3.830
  221    H    ASP  30           H        ASP  30  -7.375  -5.875   3.756
  222    HA   ASP  30           HA       ASP  30  -6.753  -4.625   6.185
  223   1HB   ASP  30          1HB       ASP  30  -8.666  -3.747   4.012
  224   2HB   ASP  30          2HB       ASP  30  -8.093  -2.717   5.320
  225    H    ILE  31           H        ILE  31  -9.562  -6.344   5.130
  226    HA   ILE  31           HA       ILE  31 -11.050  -5.508   7.527
  227    HB   ILE  31           HB       ILE  31 -12.144  -7.129   5.230
  228   1HG1  ILE  31          1HG1      ILE  31 -12.294  -4.124   5.552
  229   2HG1  ILE  31          2HG1      ILE  31 -11.215  -4.946   4.429
  230   1HG2  ILE  31          1HG2      ILE  31 -13.459  -7.203   7.256
  231   2HG2  ILE  31          2HG2      ILE  31 -14.300  -6.241   6.039
  232   3HG2  ILE  31          3HG2      ILE  31 -13.448  -5.443   7.362
  233   1HD1  ILE  31          1HD1      ILE  31 -13.155  -5.890   3.275
  234   2HD1  ILE  31          2HD1      ILE  31 -13.180  -4.127   3.285
  235   3HD1  ILE  31          3HD1      ILE  31 -14.223  -5.030   4.385
  236    H    ALA  32           H        ALA  32  -9.070  -7.939   6.400
  237    HA   ALA  32           HA       ALA  32 -10.199 -10.318   7.222
  238   1HB   ALA  32          1HB       ALA  32  -8.072 -10.180   6.025
  239   2HB   ALA  32          2HB       ALA  32  -7.923 -11.160   7.485
  240   3HB   ALA  32          3HB       ALA  32  -7.304  -9.508   7.464
  241    H    THR  33           H        THR  33  -8.380  -7.957   9.123
  242    HA   THR  33           HA       THR  33  -9.733  -8.841  11.535
  243    HB   THR  33           HB       THR  33  -8.054 -10.050  12.356
  244    HG1  THR  33           1HG      THR  33  -5.996  -8.287  12.313
  245   1HG2  THR  33          1HG2      THR  33  -7.250 -10.568  10.146
  246   2HG2  THR  33          2HG2      THR  33  -5.864 -10.282  11.197
  247   3HG2  THR  33          3HG2      THR  33  -6.379  -9.038  10.059
  248    H    ASN  34           H        ASN  34 -10.520  -7.012  12.312
  249    HA   ASN  34           HA       ASN  34  -9.998  -4.454  11.678
  250   1HB   ASN  34          1HB       ASN  34 -10.624  -5.422  14.473
  251   2HB   ASN  34          2HB       ASN  34 -10.873  -3.785  13.874
  252   1HD2  ASN  34          1HD2      ASN  34 -11.732  -4.735  11.240
  253   2HD2  ASN  34          2HD2      ASN  34 -13.338  -5.329  11.455
  254    H    ILE  35           H        ILE  35  -8.731  -5.609  14.790
  255    HA   ILE  35           HA       ILE  35  -6.115  -4.475  14.167
  256    HB   ILE  35           HB       ILE  35  -6.068  -3.309  16.396
  257   1HG1  ILE  35          1HG1      ILE  35  -9.076  -3.615  16.218
  258   2HG1  ILE  35          2HG1      ILE  35  -8.047  -4.500  17.340
  259   1HG2  ILE  35          1HG2      ILE  35  -8.044  -2.291  14.356
  260   2HG2  ILE  35          2HG2      ILE  35  -6.293  -2.088  14.301
  261   3HG2  ILE  35          3HG2      ILE  35  -7.229  -1.315  15.579
  262   1HD1  ILE  35          1HD1      ILE  35  -7.382  -2.399  18.386
  263   2HD1  ILE  35          2HD1      ILE  35  -9.131  -2.623  18.427
  264   3HD1  ILE  35          3HD1      ILE  35  -8.411  -1.514  17.260
  265    H    GLN  36           H        GLN  36  -6.627  -7.127  14.302
  266    HA   GLN  36           HA       GLN  36  -5.500  -7.901  16.913
  267   1HB   GLN  36          1HB       GLN  36  -7.453  -9.399  15.171
  268   2HB   GLN  36          2HB       GLN  36  -6.608 -10.132  16.526
  269   1HG   GLN  36          1HG       GLN  36  -8.379  -9.516  17.725
  270   2HG   GLN  36          2HG       GLN  36  -7.674  -7.901  17.674
  271   1HE2  GLN  36          1HE2      GLN  36  -8.206  -7.642  14.794
  272   2HE2  GLN  36          2HE2      GLN  36  -9.899  -7.332  14.658
  273    H    ALA  37           H        ALA  37  -4.496  -7.393  13.924
  274    HA   ALA  37           HA       ALA  37  -3.179  -9.928  13.422
  275   1HB   ALA  37          1HB       ALA  37  -2.785  -7.326  11.965
  276   2HB   ALA  37          2HB       ALA  37  -4.031  -8.511  11.571
  277   3HB   ALA  37          3HB       ALA  37  -2.328  -8.939  11.418
  278    H    ALA  38           H        ALA  38  -1.742  -6.656  13.419
  279    HA   ALA  38           HA       ALA  38   0.013  -7.089  15.568
  280   1HB   ALA  38          1HB       ALA  38   2.112  -7.523  14.427
  281   2HB   ALA  38          2HB       ALA  38   1.271  -7.603  12.879
  282   3HB   ALA  38          3HB       ALA  38   0.958  -8.819  14.118
  283    H    LYS  39           H        LYS  39   0.883  -5.813  12.362
  284    HA   LYS  39           HA       LYS  39   1.835  -3.378  13.478
  285   1HB   LYS  39          1HB       LYS  39   1.290  -4.115  10.601
  286   2HB   LYS  39          2HB       LYS  39   2.175  -2.691  11.130
  287   1HG   LYS  39          1HG       LYS  39   3.000  -5.531  11.693
  288   2HG   LYS  39          2HG       LYS  39   3.637  -4.530  10.387
  289   1HD   LYS  39          1HD       LYS  39   4.475  -2.921  12.028
  290   2HD   LYS  39          2HD       LYS  39   3.824  -3.911  13.336
  291   1HE   LYS  39          1HE       LYS  39   5.943  -4.759  11.364
  292   2HE   LYS  39          2HE       LYS  39   6.226  -4.276  13.035
  293   1HZ   LYS  39          1HZ       LYS  39   4.633  -6.621  12.150
  294   2HZ   LYS  39          2HZ       LYS  39   4.868  -6.151  13.757
  295   3HZ   LYS  39          3HZ       LYS  39   6.182  -6.672  12.830
  296    H    ASN  40           H        ASN  40  -0.829  -3.906  11.144
  297    HA   ASN  40           HA       ASN  40  -2.157  -1.560  12.333
  298   1HB   ASN  40          1HB       ASN  40  -3.032  -1.004  10.088
  299   2HB   ASN  40          2HB       ASN  40  -1.271  -0.936  10.150
  300   1HD2  ASN  40          1HD2      ASN  40  -0.080  -2.664   9.210
  301   2HD2  ASN  40          2HD2      ASN  40  -0.770  -3.623   7.949
  302    H    GLY  41           H        GLY  41  -2.369  -4.837  11.584
  303   1HA   GLY  41          1HA       GLY  41  -4.202  -6.074  12.569
  304   2HA   GLY  41          2HA       GLY  41  -5.272  -4.768  12.084
  305    H    ALA  42           H        ALA  42  -3.622  -4.814   9.435
  306    HA   ALA  42           HA       ALA  42  -5.437  -6.653   8.111
  307   1HB   ALA  42          1HB       ALA  42  -4.595  -5.692   6.040
  308   2HB   ALA  42          2HB       ALA  42  -3.353  -4.815   6.932
  309   3HB   ALA  42          3HB       ALA  42  -5.055  -4.422   7.172
  310    H    ASP  43           H        ASP  43  -2.678  -7.169   9.681
  311    HA   ASP  43           HA       ASP  43  -1.072  -8.781   9.661
  312   1HB   ASP  43          1HB       ASP  43  -3.095 -10.212   9.241
  313   2HB   ASP  43          2HB       ASP  43  -2.749 -10.102   7.519
  314    H    MET  44           H        MET  44   0.525  -9.981   8.137
  315    HA   MET  44           HA       MET  44   1.099  -8.244   5.818
  316   1HB   MET  44          1HB       MET  44   2.596  -7.930   7.827
  317   2HB   MET  44          2HB       MET  44   3.176  -9.568   7.557
  318   1HG   MET  44          1HG       MET  44   3.995  -8.942   5.359
  319   2HG   MET  44          2HG       MET  44   3.360  -7.311   5.576
  320   1HE   MET  44          1HE       MET  44   5.028  -9.521   8.327
  321   2HE   MET  44          2HE       MET  44   6.716  -9.020   8.248
  322   3HE   MET  44          3HE       MET  44   6.008  -9.946   6.924
  323    H    SER  45           H        SER  45   0.457 -11.406   6.820
  324    HA   SER  45           HA       SER  45   2.138 -12.822   5.008
  325   1HB   SER  45          1HB       SER  45   1.205 -13.898   7.006
  326   2HB   SER  45          2HB       SER  45  -0.424 -13.707   6.356
  327    HG   SER  45           HG       SER  45   1.555 -15.059   4.881
  328    H    GLN  46           H        GLN  46  -1.398 -12.240   4.942
  329    HA   GLN  46           HA       GLN  46  -1.469 -12.980   2.133
  330   1HB   GLN  46          1HB       GLN  46  -3.281 -13.188   4.219
  331   2HB   GLN  46          2HB       GLN  46  -3.928 -11.881   3.239
  332   1HG   GLN  46          1HG       GLN  46  -3.575 -14.755   2.570
  333   2HG   GLN  46          2HG       GLN  46  -4.951 -13.693   2.304
  334   1HE2  GLN  46          1HE2      GLN  46  -1.978 -14.881   1.042
  335   2HE2  GLN  46          2HE2      GLN  46  -2.083 -14.129  -0.509
  336    H    LEU  47           H        LEU  47  -1.024 -10.186   3.964
  337    HA   LEU  47           HA       LEU  47  -2.350  -8.276   2.347
  338   1HB   LEU  47          1HB       LEU  47  -1.511  -7.984   4.722
  339   2HB   LEU  47          2HB       LEU  47   0.089  -7.789   4.043
  340    HG   LEU  47           HG       LEU  47  -0.858  -5.857   2.695
  341   1HD1  LEU  47          1HD1      LEU  47  -3.093  -6.154   4.691
  342   2HD1  LEU  47          2HD1      LEU  47  -3.215  -6.440   2.955
  343   3HD1  LEU  47          3HD1      LEU  47  -2.880  -4.817   3.560
  344   1HD2  LEU  47          1HD2      LEU  47  -0.909  -5.556   5.692
  345   2HD2  LEU  47          2HD2      LEU  47  -0.577  -4.300   4.499
  346   3HD2  LEU  47          3HD2      LEU  47   0.561  -5.630   4.719
  347    H    GLY  48           H        GLY  48   0.765  -9.840   2.133
  348   1HA   GLY  48          1HA       GLY  48   1.862  -7.988   0.242
  349   2HA   GLY  48          2HA       GLY  48   2.496  -9.580   0.636
  350    H    CYS  49           H        CYS  49  -0.780  -9.686  -0.195
  351    HA   CYS  49           HA       CYS  49  -0.226 -10.134  -3.031
  352   1HB   CYS  49          1HB       CYS  49  -0.856 -12.176  -1.070
  353   2HB   CYS  49          2HB       CYS  49  -1.998 -12.153  -2.406
  354    H    LEU  50           H        LEU  50  -2.990 -10.783  -0.881
  355    HA   LEU  50           HA       LEU  50  -4.992 -10.025  -2.603
  356   1HB   LEU  50          1HB       LEU  50  -5.329 -11.109  -0.403
  357   2HB   LEU  50          2HB       LEU  50  -4.951  -9.598   0.391
  358    HG   LEU  50           HG       LEU  50  -7.411 -10.240   0.201
  359   1HD1  LEU  50          1HD1      LEU  50  -8.128  -7.964  -0.102
  360   2HD1  LEU  50          2HD1      LEU  50  -6.625  -7.560  -0.925
  361   3HD1  LEU  50          3HD1      LEU  50  -6.605  -7.980   0.788
  362   1HD2  LEU  50          1HD2      LEU  50  -7.362 -10.988  -2.126
  363   2HD2  LEU  50          2HD2      LEU  50  -6.976  -9.349  -2.646
  364   3HD2  LEU  50          3HD2      LEU  50  -8.530  -9.690  -1.889
  365    H    LYS  51           H        LYS  51  -3.235  -8.008  -0.285
  366    HA   LYS  51           HA       LYS  51  -4.532  -5.599  -1.143
  367   1HB   LYS  51          1HB       LYS  51  -3.492  -6.051   1.157
  368   2HB   LYS  51          2HB       LYS  51  -1.936  -5.779   0.387
  369   1HG   LYS  51          1HG       LYS  51  -4.053  -3.715   0.079
  370   2HG   LYS  51          2HG       LYS  51  -3.209  -3.845   1.622
  371   1HD   LYS  51          1HD       LYS  51  -1.658  -3.730  -0.934
  372   2HD   LYS  51          2HD       LYS  51  -2.295  -2.249  -0.219
  373   1HE   LYS  51          1HE       LYS  51  -0.103  -2.457   0.608
  374   2HE   LYS  51          2HE       LYS  51  -1.154  -2.968   1.927
  375   1HZ   LYS  51          1HZ       LYS  51   0.682  -4.480   1.709
  376   2HZ   LYS  51          2HZ       LYS  51   0.334  -4.750   0.077
  377   3HZ   LYS  51          3HZ       LYS  51  -0.741  -5.280   1.269
  378    H    ALA  52           H        ALA  52  -1.778  -7.489  -2.087
  379    HA   ALA  52           HA       ALA  52  -0.310  -5.441  -3.409
  380   1HB   ALA  52          1HB       ALA  52  -0.326  -8.401  -3.995
  381   2HB   ALA  52          2HB       ALA  52   0.663  -7.616  -2.765
  382   3HB   ALA  52          3HB       ALA  52   0.914  -7.241  -4.469
  383    H    CYS  53           H        CYS  53  -3.237  -6.976  -4.099
  384    HA   CYS  53           HA       CYS  53  -3.187  -6.960  -6.930
  385   1HB   CYS  53          1HB       CYS  53  -4.866  -8.301  -5.999
  386   2HB   CYS  53          2HB       CYS  53  -5.368  -7.052  -4.864
  387    H    VAL  54           H        VAL  54  -4.233  -4.623  -4.505
  388    HA   VAL  54           HA       VAL  54  -5.369  -2.730  -6.243
  389    HB   VAL  54           HB       VAL  54  -3.976  -2.169  -3.619
  390   1HG1  VAL  54          1HG1      VAL  54  -4.436  -0.160  -4.894
  391   2HG1  VAL  54          2HG1      VAL  54  -5.518  -0.256  -3.504
  392   3HG1  VAL  54          3HG1      VAL  54  -6.114  -0.658  -5.114
  393   1HG2  VAL  54          1HG2      VAL  54  -5.585  -3.879  -3.208
  394   2HG2  VAL  54          2HG2      VAL  54  -6.794  -3.061  -4.196
  395   3HG2  VAL  54          3HG2      VAL  54  -6.285  -2.356  -2.662
  396    H    MET  55           H        MET  55  -2.082  -3.457  -5.399
  397    HA   MET  55           HA       MET  55  -0.857  -1.050  -6.201
  398   1HB   MET  55          1HB       MET  55   0.330  -3.827  -6.355
  399   2HB   MET  55          2HB       MET  55   1.205  -2.305  -6.236
  400   1HG   MET  55          1HG       MET  55   0.257  -1.951  -4.002
  401   2HG   MET  55          2HG       MET  55  -0.579  -3.498  -4.125
  402   1HE   MET  55          1HE       MET  55   3.067  -2.586  -5.365
  403   2HE   MET  55          2HE       MET  55   4.008  -3.024  -3.939
  404   3HE   MET  55          3HE       MET  55   2.868  -1.680  -3.865
  405    H    LYS  56           H        LYS  56  -1.184  -4.143  -7.950
  406    HA   LYS  56           HA       LYS  56  -0.199  -3.138 -10.404
  407   1HB   LYS  56          1HB       LYS  56  -2.093  -5.460 -10.253
  408   2HB   LYS  56          2HB       LYS  56  -0.708  -5.229 -11.313
  409   1HG   LYS  56          1HG       LYS  56   0.787  -5.514  -9.375
  410   2HG   LYS  56          2HG       LYS  56  -0.624  -5.839  -8.366
  411   1HD   LYS  56          1HD       LYS  56   0.145  -7.438 -10.805
  412   2HD   LYS  56          2HD       LYS  56   0.536  -7.892  -9.146
  413   1HE   LYS  56          1HE       LYS  56  -1.850  -7.975  -8.609
  414   2HE   LYS  56          2HE       LYS  56  -2.241  -7.513 -10.265
  415   1HZ   LYS  56          1HZ       LYS  56  -0.835  -9.995  -9.440
  416   2HZ   LYS  56          2HZ       LYS  56  -1.179  -9.550 -11.035
  417   3HZ   LYS  56          3HZ       LYS  56  -2.440  -9.891  -9.963
  418    H    ARG  57           H        ARG  57  -3.202  -2.826  -8.832
  419    HA   ARG  57           HA       ARG  57  -4.900  -2.573 -11.090
  420   1HB   ARG  57          1HB       ARG  57  -5.626  -2.998  -8.711
  421   2HB   ARG  57          2HB       ARG  57  -5.289  -1.307  -8.377
  422   1HG   ARG  57          1HG       ARG  57  -7.572  -1.341  -8.755
  423   2HG   ARG  57          2HG       ARG  57  -6.912  -0.812 -10.305
  424   1HD   ARG  57          1HD       ARG  57  -7.697  -3.644  -9.623
  425   2HD   ARG  57          2HD       ARG  57  -8.686  -2.513 -10.546
  426    HE   ARG  57           HE       ARG  57  -6.344  -2.576 -11.912
  427   1HH1  ARG  57          1HH1      ARG  57  -8.555  -5.030 -10.803
  428   2HH1  ARG  57          2HH1      ARG  57  -8.198  -6.119 -12.101
  429   1HH2  ARG  57          1HH2      ARG  57  -5.866  -4.007 -13.624
  430   2HH2  ARG  57          2HH2      ARG  57  -6.670  -5.537 -13.704
  431    H    ILE  58           H        ILE  58  -2.806  -0.361  -9.375
  432    HA   ILE  58           HA       ILE  58  -3.694   1.818 -11.147
  433    HB   ILE  58           HB       ILE  58  -2.658   3.356  -9.467
  434   1HG1  ILE  58          1HG1      ILE  58  -2.611   0.876  -7.733
  435   2HG1  ILE  58          2HG1      ILE  58  -1.184   1.640  -8.424
  436   1HG2  ILE  58          1HG2      ILE  58  -4.900   1.591  -8.491
  437   2HG2  ILE  58          2HG2      ILE  58  -5.060   2.996  -9.546
  438   3HG2  ILE  58          3HG2      ILE  58  -4.521   3.202  -7.879
  439   1HD1  ILE  58          1HD1      ILE  58  -1.463   2.259  -6.101
  440   2HD1  ILE  58          2HD1      ILE  58  -3.077   2.883  -6.442
  441   3HD1  ILE  58          3HD1      ILE  58  -1.662   3.666  -7.142
  442    H    GLU  59           H        GLU  59  -1.775  -0.255 -11.849
  443    HA   GLU  59           HA       GLU  59   0.227  -0.483 -12.897
  444   1HB   GLU  59          1HB       GLU  59   0.038   2.529 -13.024
  445   2HB   GLU  59          2HB       GLU  59   1.211   1.564 -13.911
  446   1HG   GLU  59          1HG       GLU  59  -0.648   0.414 -15.052
  447   2HG   GLU  59          2HG       GLU  59  -1.782   1.471 -14.212
  448    H    MET  60           H        MET  60   0.021   0.321  -9.887
  449    HA   MET  60           HA       MET  60   2.606   1.452  -9.337
  450   1HB   MET  60          1HB       MET  60   0.839   1.932  -7.791
  451   2HB   MET  60          2HB       MET  60   0.475   0.227  -7.581
  452   1HG   MET  60          1HG       MET  60   1.669   1.262  -5.675
  453   2HG   MET  60          2HG       MET  60   2.489  -0.134  -6.369
  454   1HE   MET  60          1HE       MET  60   3.948   1.811  -4.405
  455   2HE   MET  60          2HE       MET  60   5.487   2.079  -5.225
  456   3HE   MET  60          3HE       MET  60   4.772   0.467  -5.195
  457    H    LEU  61           H        LEU  61   1.568  -1.570 -10.263
  458    HA   LEU  61           HA       LEU  61   4.119  -2.751  -9.640
  459   1HB   LEU  61          1HB       LEU  61   2.976  -3.229  -7.576
  460   2HB   LEU  61          2HB       LEU  61   1.573  -3.829  -8.439
  461    HG   LEU  61           HG       LEU  61   2.913  -5.730  -9.270
  462   1HD1  LEU  61          1HD1      LEU  61   5.113  -4.759  -9.274
  463   2HD1  LEU  61          2HD1      LEU  61   5.109  -6.164  -8.210
  464   3HD1  LEU  61          3HD1      LEU  61   5.062  -4.540  -7.526
  465   1HD2  LEU  61          1HD2      LEU  61   1.584  -5.971  -7.244
  466   2HD2  LEU  61          2HD2      LEU  61   2.932  -5.378  -6.275
  467   3HD2  LEU  61          3HD2      LEU  61   3.071  -6.912  -7.132
  468    H    LYS  62           H        LYS  62   4.562  -3.276 -11.710
  469    HA   LYS  62           HA       LYS  62   2.525  -4.427 -13.415
  470   1HB   LYS  62          1HB       LYS  62   5.419  -3.692 -13.822
  471   2HB   LYS  62          2HB       LYS  62   4.500  -4.560 -15.046
  472   1HG   LYS  62          1HG       LYS  62   3.246  -2.108 -14.006
  473   2HG   LYS  62          2HG       LYS  62   4.719  -1.886 -14.948
  474   1HD   LYS  62          1HD       LYS  62   2.891  -1.770 -16.469
  475   2HD   LYS  62          2HD       LYS  62   3.683  -3.324 -16.727
  476   1HE   LYS  62          1HE       LYS  62   1.256  -3.560 -16.729
  477   2HE   LYS  62          2HE       LYS  62   1.977  -4.426 -15.375
  478   1HZ   LYS  62          1HZ       LYS  62   1.379  -2.591 -13.925
  479   2HZ   LYS  62          2HZ       LYS  62   0.006  -3.200 -14.704
  480   3HZ   LYS  62          3HZ       LYS  62   0.699  -1.749 -15.227
  481    H    GLY  63           H        GLY  63   2.192  -6.303 -12.013
  482   1HA   GLY  63          1HA       GLY  63   2.341  -8.600 -11.838
  483   2HA   GLY  63          2HA       GLY  63   3.689  -8.560 -12.966
  484    H    THR  64           H        THR  64   5.662  -7.311 -11.865
  485    HA   THR  64           HA       THR  64   6.000  -8.091  -9.088
  486    HB   THR  64           HB       THR  64   8.038  -9.346  -9.471
  487    HG1  THR  64           1HG      THR  64   7.533  -9.058 -12.261
  488   1HG2  THR  64          1HG2      THR  64   5.850 -10.380 -11.278
  489   2HG2  THR  64          2HG2      THR  64   5.915 -10.595  -9.529
  490   3HG2  THR  64          3HG2      THR  64   7.145 -11.335 -10.554
  491    H    GLU  65           H        GLU  65   6.212  -5.760 -11.259
  492    HA   GLU  65           HA       GLU  65   8.850  -4.741 -10.501
  493   1HB   GLU  65          1HB       GLU  65   8.040  -4.726 -12.896
  494   2HB   GLU  65          2HB       GLU  65   6.868  -3.506 -12.413
  495   1HG   GLU  65          1HG       GLU  65   8.776  -2.453 -13.427
  496   2HG   GLU  65          2HG       GLU  65   8.710  -2.040 -11.714
  497    H    LEU  66           H        LEU  66   8.913  -3.640  -8.627
  498    HA   LEU  66           HA       LEU  66   6.646  -2.318  -7.530
  499   1HB   LEU  66          1HB       LEU  66   9.568  -2.179  -6.787
  500   2HB   LEU  66          2HB       LEU  66   8.259  -1.514  -5.831
  501    HG   LEU  66           HG       LEU  66   8.835  -3.528  -4.800
  502   1HD1  LEU  66          1HD1      LEU  66   6.870  -4.911  -4.977
  503   2HD1  LEU  66          2HD1      LEU  66   6.478  -4.191  -6.537
  504   3HD1  LEU  66          3HD1      LEU  66   6.419  -3.209  -5.074
  505   1HD2  LEU  66          1HD2      LEU  66   8.535  -5.149  -7.280
  506   2HD2  LEU  66          2HD2      LEU  66   9.367  -5.543  -5.778
  507   3HD2  LEU  66          3HD2      LEU  66  10.066  -4.368  -6.889
  508    H    TYR  67           H        TYR  67   5.862  -0.506  -8.414
  509    HA   TYR  67           HA       TYR  67   7.618   1.377  -9.752
  510   1HB   TYR  67          1HB       TYR  67   4.667   0.994  -9.547
  511   2HB   TYR  67          2HB       TYR  67   5.267   2.604  -9.930
  512    HD1  TYR  67           1HD      TYR  67   6.116  -0.888 -10.975
  513    HD2  TYR  67           2HD      TYR  67   5.208   3.089 -12.182
  514    HE1  TYR  67           1HE      TYR  67   6.352  -1.555 -13.330
  515    HE2  TYR  67           2HE      TYR  67   5.441   2.434 -14.541
  516    HH   TYR  67           HH       TYR  67   6.575   0.674 -15.862
  517    H    VAL  68           H        VAL  68   6.401   3.808  -9.233
  518    HA   VAL  68           HA       VAL  68   6.124   4.326  -6.455
  519    HB   VAL  68           HB       VAL  68   8.598   3.841  -6.666
  520   1HG1  VAL  68          1HG1      VAL  68   8.580   6.480  -8.124
  521   2HG1  VAL  68          2HG1      VAL  68   9.008   4.910  -8.804
  522   3HG1  VAL  68          3HG1      VAL  68  10.018   5.633  -7.553
  523   1HG2  VAL  68          1HG2      VAL  68   7.802   4.988  -4.739
  524   2HG2  VAL  68          2HG2      VAL  68   7.654   6.504  -5.626
  525   3HG2  VAL  68          3HG2      VAL  68   9.249   5.830  -5.290
  526    H    GLU  69           H        GLU  69   6.004   5.239  -9.686
  527    HA   GLU  69           HA       GLU  69   5.962   8.072  -9.361
  528   1HB   GLU  69          1HB       GLU  69   4.876   6.402 -11.632
  529   2HB   GLU  69          2HB       GLU  69   5.127   8.141 -11.663
  530   1HG   GLU  69          1HG       GLU  69   6.987   7.357 -12.757
  531   2HG   GLU  69          2HG       GLU  69   7.583   7.552 -11.110
  532    HA   PRO  70           HA       PRO  70   1.109   7.451  -9.792
  533   1HB   PRO  70          1HB       PRO  70   0.260   5.072  -8.668
  534   2HB   PRO  70          2HB       PRO  70   0.423   5.374 -10.401
  535   1HG   PRO  70          1HG       PRO  70   2.302   3.998  -8.529
  536   2HG   PRO  70          2HG       PRO  70   1.871   3.579 -10.197
  537   1HD   PRO  70          1HD       PRO  70   4.186   4.790  -9.619
  538   2HD   PRO  70          2HD       PRO  70   3.284   5.183 -11.097
  539    H    VAL  71           H        VAL  71   2.821   5.869  -7.109
  540    HA   VAL  71           HA       VAL  71   1.011   6.486  -5.071
  541    HB   VAL  71           HB       VAL  71   4.017   6.279  -4.840
  542   1HG1  VAL  71          1HG1      VAL  71   3.605   5.721  -2.506
  543   2HG1  VAL  71          2HG1      VAL  71   1.872   5.949  -2.745
  544   3HG1  VAL  71          3HG1      VAL  71   2.972   7.320  -2.889
  545   1HG2  VAL  71          1HG2      VAL  71   3.034   4.298  -5.875
  546   2HG2  VAL  71          2HG2      VAL  71   1.891   4.161  -4.540
  547   3HG2  VAL  71          3HG2      VAL  71   3.616   3.942  -4.250
  548    H    TYR  72           H        TYR  72   3.742   8.375  -6.328
  549    HA   TYR  72           HA       TYR  72   3.727  10.438  -4.481
  550   1HB   TYR  72          1HB       TYR  72   4.323  10.466  -7.437
  551   2HB   TYR  72          2HB       TYR  72   4.547  11.876  -6.416
  552    HD1  TYR  72           1HD      TYR  72   6.952  11.542  -7.482
  553    HD2  TYR  72           2HD      TYR  72   5.228   8.961  -4.567
  554    HE1  TYR  72           1HE      TYR  72   9.191  10.738  -6.874
  555    HE2  TYR  72           2HE      TYR  72   7.466   8.152  -3.955
  556    HH   TYR  72           HH       TYR  72   9.695   7.996  -4.910
  557    H    LYS  73           H        LYS  73   1.546   9.819  -7.146
  558    HA   LYS  73           HA       LYS  73   0.276  12.377  -7.060
  559   1HB   LYS  73          1HB       LYS  73  -0.010   9.891  -8.578
  560   2HB   LYS  73          2HB       LYS  73  -1.544  10.686  -8.248
  561   1HG   LYS  73          1HG       LYS  73   0.827  12.062  -9.486
  562   2HG   LYS  73          2HG       LYS  73  -0.488  11.329 -10.406
  563   1HD   LYS  73          1HD       LYS  73  -2.069  12.866  -9.558
  564   2HD   LYS  73          2HD       LYS  73  -0.970  13.416  -8.293
  565   1HE   LYS  73          1HE       LYS  73  -1.163  15.053 -10.103
  566   2HE   LYS  73          2HE       LYS  73   0.479  14.425  -9.966
  567   1HZ   LYS  73          1HZ       LYS  73  -1.553  13.548 -11.948
  568   2HZ   LYS  73          2HZ       LYS  73   0.016  12.932 -11.815
  569   3HZ   LYS  73          3HZ       LYS  73  -0.224  14.544 -12.269
  570    H    MET  74           H        MET  74  -0.217   9.312  -5.449
  571    HA   MET  74           HA       MET  74  -2.831   9.982  -4.469
  572   1HB   MET  74          1HB       MET  74  -1.110   7.874  -3.222
  573   2HB   MET  74          2HB       MET  74  -2.849   7.884  -3.472
  574   1HG   MET  74          1HG       MET  74  -2.359   7.712  -5.945
  575   2HG   MET  74          2HG       MET  74  -0.691   7.380  -5.492
  576   1HE   MET  74          1HE       MET  74  -0.970   5.680  -2.857
  577   2HE   MET  74          2HE       MET  74   0.106   5.240  -4.183
  578   3HE   MET  74          3HE       MET  74  -0.995   4.042  -3.506
  579    H    ILE  75           H        ILE  75   0.443   9.819  -3.103
  580    HA   ILE  75           HA       ILE  75  -0.084  10.428  -0.475
  581    HB   ILE  75           HB       ILE  75   2.259  11.461  -2.081
  582   1HG1  ILE  75          1HG1      ILE  75   2.083   8.917  -0.457
  583   2HG1  ILE  75          2HG1      ILE  75   1.871   8.970  -2.203
  584   1HG2  ILE  75          1HG2      ILE  75   3.430  11.501   0.060
  585   2HG2  ILE  75          2HG2      ILE  75   1.958  10.974   0.879
  586   3HG2  ILE  75          3HG2      ILE  75   2.010  12.547   0.084
  587   1HD1  ILE  75          1HD1      ILE  75   4.135   9.811  -2.465
  588   2HD1  ILE  75          2HD1      ILE  75   4.124   8.284  -1.584
  589   3HD1  ILE  75          3HD1      ILE  75   4.351   9.802  -0.715
  590    H    GLU  76           H        GLU  76  -0.236  12.480  -3.268
  591    HA   GLU  76           HA       GLU  76  -0.021  14.994  -2.033
  592   1HB   GLU  76          1HB       GLU  76  -1.468  14.112  -4.525
  593   2HB   GLU  76          2HB       GLU  76  -1.390  15.794  -4.019
  594   1HG   GLU  76          1HG       GLU  76   1.072  15.670  -4.107
  595   2HG   GLU  76          2HG       GLU  76   0.940  14.021  -4.711
  596    H    VAL  77           H        VAL  77  -3.028  13.295  -2.984
  597    HA   VAL  77           HA       VAL  77  -4.593  15.097  -1.329
  598    HB   VAL  77           HB       VAL  77  -5.514  12.728  -2.962
  599   1HG1  VAL  77          1HG1      VAL  77  -7.096  13.350  -1.224
  600   2HG1  VAL  77          2HG1      VAL  77  -7.723  13.782  -2.814
  601   3HG1  VAL  77          3HG1      VAL  77  -7.051  15.029  -1.762
  602   1HG2  VAL  77          1HG2      VAL  77  -5.451  15.659  -3.671
  603   2HG2  VAL  77          2HG2      VAL  77  -6.172  14.378  -4.646
  604   3HG2  VAL  77          3HG2      VAL  77  -4.430  14.399  -4.365
  605    H    VAL  78           H        VAL  78  -3.843  11.645  -1.456
  606    HA   VAL  78           HA       VAL  78  -5.381  10.669   0.593
  607    HB   VAL  78           HB       VAL  78  -2.607   9.870  -0.295
  608   1HG1  VAL  78          1HG1      VAL  78  -4.451   8.360   1.561
  609   2HG1  VAL  78          2HG1      VAL  78  -2.928   9.121   2.020
  610   3HG1  VAL  78          3HG1      VAL  78  -2.933   7.764   0.898
  611   1HG2  VAL  78          1HG2      VAL  78  -3.833   8.015  -1.363
  612   2HG2  VAL  78          2HG2      VAL  78  -4.324   9.599  -1.965
  613   3HG2  VAL  78          3HG2      VAL  78  -5.350   8.734  -0.820
  614    H    HIS  79           H        HIS  79  -2.798  12.886   0.857
  615    HA   HIS  79           HA       HIS  79  -2.860  12.641   3.778
  616   1HB   HIS  79          1HB       HIS  79  -0.432  13.227   2.075
  617   2HB   HIS  79          2HB       HIS  79  -0.473  13.317   3.832
  618    HD1  HIS  79           1HD      HIS  79   0.088  11.219   5.051
  619    HD2  HIS  79           2HD      HIS  79  -0.929  10.509   1.087
  620    HE1  HIS  79           1HE      HIS  79   0.524   8.770   4.671
  621    HE2  HIS  79           2HE      HIS  79   0.028   8.400   2.232
  622    H    ALA  80           H        ALA  80  -4.621  14.286   2.726
  623    HA   ALA  80           HA       ALA  80  -3.739  16.891   2.096
  624   1HB   ALA  80          1HB       ALA  80  -6.046  17.568   2.437
  625   2HB   ALA  80          2HB       ALA  80  -6.393  16.046   3.255
  626   3HB   ALA  80          3HB       ALA  80  -5.980  16.051   1.540
  627    H    GLY  81           H        GLY  81  -3.014  18.494   3.334
  628   1HA   GLY  81          1HA       GLY  81  -3.721  19.595   5.603
  629   2HA   GLY  81          2HA       GLY  81  -3.025  18.114   6.243
  630    H    ASN  82           H        ASN  82  -0.759  17.695   5.825
  631    HA   ASN  82           HA       ASN  82   0.781  20.168   5.888
  632   1HB   ASN  82          1HB       ASN  82   1.515  17.299   6.483
  633   2HB   ASN  82          2HB       ASN  82   2.667  18.629   6.535
  634   1HD2  ASN  82          1HD2      ASN  82   3.068  18.334   8.712
  635   2HD2  ASN  82          2HD2      ASN  82   1.924  18.770   9.932
  636    H    ALA  83           H        ALA  83   2.464  20.654   4.498
  637    HA   ALA  83           HA       ALA  83   2.209  19.564   1.839
  638   1HB   ALA  83          1HB       ALA  83   3.786  21.309   1.194
  639   2HB   ALA  83          2HB       ALA  83   4.065  21.694   2.893
  640   3HB   ALA  83          3HB       ALA  83   2.478  21.968   2.176
  641    H    ASP  84           H        ASP  84   4.578  19.426   4.451
  642    HA   ASP  84           HA       ASP  84   6.517  18.068   2.804
  643   1HB   ASP  84          1HB       ASP  84   7.850  17.873   4.811
  644   2HB   ASP  84          2HB       ASP  84   7.251  19.522   4.652
  645    H    ASP  85           H        ASP  85   3.953  17.209   4.993
  646    HA   ASP  85           HA       ASP  85   4.675  14.579   5.587
  647   1HB   ASP  85          1HB       ASP  85   2.741  15.706   6.630
  648   2HB   ASP  85          2HB       ASP  85   1.889  15.664   5.089
  649    H    ILE  86           H        ILE  86   3.511  16.070   2.711
  650    HA   ILE  86           HA       ILE  86   2.864  13.627   1.346
  651    HB   ILE  86           HB       ILE  86   3.238  16.434   0.274
  652   1HG1  ILE  86          1HG1      ILE  86   0.664  14.950   0.839
  653   2HG1  ILE  86          2HG1      ILE  86   1.386  16.111   1.950
  654   1HG2  ILE  86          1HG2      ILE  86   3.541  14.745  -1.457
  655   2HG2  ILE  86          2HG2      ILE  86   2.037  15.632  -1.702
  656   3HG2  ILE  86          3HG2      ILE  86   1.999  14.006  -1.023
  657   1HD1  ILE  86          1HD1      ILE  86   0.451  16.698  -0.849
  658   2HD1  ILE  86          2HD1      ILE  86   1.156  17.861   0.272
  659   3HD1  ILE  86          3HD1      ILE  86  -0.397  17.114   0.640
  660    H    GLN  87           H        GLN  87   5.536  15.811   1.716
  661    HA   GLN  87           HA       GLN  87   7.137  14.693  -0.380
  662   1HB   GLN  87          1HB       GLN  87   7.902  16.500   1.912
  663   2HB   GLN  87          2HB       GLN  87   8.922  16.123   0.529
  664   1HG   GLN  87          1HG       GLN  87   7.166  17.135  -0.927
  665   2HG   GLN  87          2HG       GLN  87   6.338  17.643   0.542
  666   1HE2  GLN  87          1HE2      GLN  87   7.477  19.245  -1.612
  667   2HE2  GLN  87          2HE2      GLN  87   8.626  20.299  -0.869
  668    H    LEU  88           H        LEU  88   6.439  13.915   2.864
  669    HA   LEU  88           HA       LEU  88   8.882  12.564   3.476
  670   1HB   LEU  88          1HB       LEU  88   7.348  13.497   5.190
  671   2HB   LEU  88          2HB       LEU  88   6.171  12.269   4.767
  672    HG   LEU  88           HG       LEU  88   7.852  10.533   5.440
  673   1HD1  LEU  88          1HD1      LEU  88   9.725  11.234   6.837
  674   2HD1  LEU  88          2HD1      LEU  88   9.328  12.924   6.528
  675   3HD1  LEU  88          3HD1      LEU  88   9.863  11.889   5.205
  676   1HD2  LEU  88          1HD2      LEU  88   7.008  12.519   7.546
  677   2HD2  LEU  88          2HD2      LEU  88   7.511  10.856   7.846
  678   3HD2  LEU  88          3HD2      LEU  88   6.041  11.181   6.927
  679    H    VAL  89           H        VAL  89   5.573  11.343   2.882
  680    HA   VAL  89           HA       VAL  89   6.247   8.641   2.730
  681    HB   VAL  89           HB       VAL  89   4.015   9.944   1.179
  682   1HG1  VAL  89          1HG1      VAL  89   2.899   7.776   1.498
  683   2HG1  VAL  89          2HG1      VAL  89   4.350   7.162   2.293
  684   3HG1  VAL  89          3HG1      VAL  89   4.404   7.624   0.591
  685   1HG2  VAL  89          1HG2      VAL  89   2.618   9.545   3.163
  686   2HG2  VAL  89          2HG2      VAL  89   3.913  10.698   3.485
  687   3HG2  VAL  89          3HG2      VAL  89   4.051   9.035   4.054
  688    H    LYS  90           H        LYS  90   6.687  11.185   0.456
  689    HA   LYS  90           HA       LYS  90   6.784   9.852  -1.970
  690   1HB   LYS  90          1HB       LYS  90   7.539  12.373  -0.957
  691   2HB   LYS  90          2HB       LYS  90   8.951  11.737  -1.782
  692   1HG   LYS  90          1HG       LYS  90   7.763  13.023  -3.356
  693   2HG   LYS  90          2HG       LYS  90   7.472  11.334  -3.770
  694   1HD   LYS  90          1HD       LYS  90   5.293  11.388  -2.962
  695   2HD   LYS  90          2HD       LYS  90   5.575  12.833  -1.998
  696   1HE   LYS  90          1HE       LYS  90   5.841  14.131  -4.083
  697   2HE   LYS  90          2HE       LYS  90   5.446  12.683  -5.006
  698   1HZ   LYS  90          1HZ       LYS  90   3.297  12.636  -3.793
  699   2HZ   LYS  90          2HZ       LYS  90   3.485  13.985  -4.794
  700   3HZ   LYS  90          3HZ       LYS  90   3.682  14.141  -3.120
  701    H    GLY  91           H        GLY  91   9.375  10.327   0.414
  702   1HA   GLY  91          1HA       GLY  91  11.225   8.670  -1.052
  703   2HA   GLY  91          2HA       GLY  91  11.486   9.380   0.538
  704    H    ILE  92           H        ILE  92   8.880   8.212   1.464
  705    HA   ILE  92           HA       ILE  92   9.882   5.876   2.648
  706    HB   ILE  92           HB       ILE  92   7.030   6.769   2.291
  707   1HG1  ILE  92          1HG1      ILE  92   8.891   6.952   4.608
  708   2HG1  ILE  92          2HG1      ILE  92   8.411   8.289   3.589
  709   1HG2  ILE  92          1HG2      ILE  92   6.458   5.188   4.069
  710   2HG2  ILE  92          2HG2      ILE  92   8.116   4.589   4.048
  711   3HG2  ILE  92          3HG2      ILE  92   7.081   4.368   2.639
  712   1HD1  ILE  92          1HD1      ILE  92   7.226   8.287   5.723
  713   2HD1  ILE  92          2HD1      ILE  92   6.580   6.686   5.361
  714   3HD1  ILE  92          3HD1      ILE  92   6.121   8.067   4.368
  715    H    ALA  93           H        ALA  93   7.851   6.377  -0.203
  716    HA   ALA  93           HA       ALA  93   7.214   3.690  -0.701
  717   1HB   ALA  93          1HB       ALA  93   7.575   5.918  -2.702
  718   2HB   ALA  93          2HB       ALA  93   6.097   5.570  -1.806
  719   3HB   ALA  93          3HB       ALA  93   6.714   4.403  -2.976
  720    H    ASN  94           H        ASN  94  10.114   5.506  -1.222
  721    HA   ASN  94           HA       ASN  94  11.277   3.572  -3.034
  722   1HB   ASN  94          1HB       ASN  94  11.808   5.952  -3.297
  723   2HB   ASN  94          2HB       ASN  94  12.490   5.988  -1.673
  724   1HD2  ASN  94          1HD2      ASN  94  14.502   6.620  -2.387
  725   2HD2  ASN  94          2HD2      ASN  94  15.567   5.556  -3.236
  726    H    GLU  95           H        GLU  95  11.326   4.335   0.367
  727    HA   GLU  95           HA       GLU  95  13.653   3.028   1.165
  728   1HB   GLU  95          1HB       GLU  95  12.283   4.479   2.635
  729   2HB   GLU  95          2HB       GLU  95  11.043   3.228   2.696
  730   1HG   GLU  95          1HG       GLU  95  12.441   3.233   4.692
  731   2HG   GLU  95          2HG       GLU  95  12.577   1.720   3.798
  732    H    CYS  96           H        CYS  96  10.550   1.756   0.239
  733    HA   CYS  96           HA       CYS  96  11.082  -0.881   1.275
  734   1HB   CYS  96          1HB       CYS  96   8.842   0.595   0.048
  735   2HB   CYS  96          2HB       CYS  96   8.872  -1.131  -0.227
  736    H    ILE  97           H        ILE  97  10.785   0.663  -1.924
  737    HA   ILE  97           HA       ILE  97  11.047  -1.583  -3.532
  738    HB   ILE  97           HB       ILE  97  12.178   1.160  -4.097
  739   1HG1  ILE  97          1HG1      ILE  97   9.477   0.017  -4.837
  740   2HG1  ILE  97          2HG1      ILE  97   9.748   1.111  -3.486
  741   1HG2  ILE  97          1HG2      ILE  97  11.931   0.528  -6.454
  742   2HG2  ILE  97          2HG2      ILE  97  11.409  -1.083  -5.961
  743   3HG2  ILE  97          3HG2      ILE  97  13.048  -0.539  -5.605
  744   1HD1  ILE  97          1HD1      ILE  97  10.542   2.819  -5.052
  745   2HD1  ILE  97          2HD1      ILE  97   8.888   2.311  -5.394
  746   3HD1  ILE  97          3HD1      ILE  97  10.216   1.723  -6.393
  747    H    GLU  98           H        GLU  98  13.554   0.320  -1.939
  748    HA   GLU  98           HA       GLU  98  15.789  -0.771  -3.221
  749   1HB   GLU  98          1HB       GLU  98  15.490   0.309  -0.415
  750   2HB   GLU  98          2HB       GLU  98  17.034  -0.066  -1.168
  751   1HG   GLU  98          1HG       GLU  98  16.632   1.601  -2.881
  752   2HG   GLU  98          2HG       GLU  98  15.048   1.948  -2.195
  753    H    ASN  99           H        ASN  99  13.823  -1.998  -0.591
  754    HA   ASN  99           HA       ASN  99  15.637  -4.284  -0.294
  755   1HB   ASN  99          1HB       ASN  99  14.934  -4.490   1.873
  756   2HB   ASN  99          2HB       ASN  99  14.650  -2.768   1.657
  757   1HD2  ASN  99          1HD2      ASN  99  13.210  -5.883   2.038
  758   2HD2  ASN  99          2HD2      ASN  99  11.585  -5.337   2.254
  759    H    ALA 100           H        ALA 100  12.852  -3.412  -1.900
  760    HA   ALA 100           HA       ALA 100  11.710  -6.114  -1.785
  761   1HB   ALA 100          1HB       ALA 100  10.164  -4.276  -1.316
  762   2HB   ALA 100          2HB       ALA 100   9.705  -5.154  -2.775
  763   3HB   ALA 100          3HB       ALA 100  10.504  -3.587  -2.905
  764    H    LYS 101           H        LYS 101  13.837  -4.384  -3.579
  765    HA   LYS 101           HA       LYS 101  14.299  -4.231  -5.870
  766   1HB   LYS 101          1HB       LYS 101  14.981  -6.871  -6.313
  767   2HB   LYS 101          2HB       LYS 101  16.003  -5.636  -5.598
  768   1HG   LYS 101          1HG       LYS 101  16.134  -7.419  -4.112
  769   2HG   LYS 101          2HG       LYS 101  14.972  -6.325  -3.365
  770   1HD   LYS 101          1HD       LYS 101  13.151  -7.689  -4.406
  771   2HD   LYS 101          2HD       LYS 101  14.388  -8.845  -4.902
  772   1HE   LYS 101          1HE       LYS 101  14.045  -7.980  -2.046
  773   2HE   LYS 101          2HE       LYS 101  13.151  -9.330  -2.731
  774   1HZ   LYS 101          1HZ       LYS 101  15.246 -10.410  -3.257
  775   2HZ   LYS 101          2HZ       LYS 101  15.156 -10.068  -1.603
  776   3HZ   LYS 101          3HZ       LYS 101  16.109  -9.104  -2.614
  777    H    GLY 102           H        GLY 102  13.143  -7.552  -6.055
  778   1HA   GLY 102          1HA       GLY 102  10.687  -7.093  -7.308
  779   2HA   GLY 102          2HA       GLY 102  11.922  -7.192  -8.558
  780    H    GLU 103           H        GLU 103  10.760  -8.935  -5.681
  781    HA   GLU 103           HA       GLU 103  11.976 -11.391  -6.264
  782   1HB   GLU 103          1HB       GLU 103   9.585 -10.627  -4.610
  783   2HB   GLU 103          2HB       GLU 103  10.071 -12.306  -4.782
  784   1HG   GLU 103          1HG       GLU 103  11.762 -10.077  -3.674
  785   2HG   GLU 103          2HG       GLU 103  10.951 -11.335  -2.741
  786    H    THR 104           H        THR 104  10.592 -13.443  -6.610
  787    HA   THR 104           HA       THR 104   9.193 -13.071  -9.140
  788    HB   THR 104           HB       THR 104   9.319 -15.532  -9.339
  789    HG1  THR 104           1HG      THR 104   9.804 -15.370  -6.713
  790   1HG2  THR 104          1HG2      THR 104  11.756 -15.691  -9.585
  791   2HG2  THR 104          2HG2      THR 104  11.946 -14.210  -8.644
  792   3HG2  THR 104          3HG2      THR 104  11.143 -14.160 -10.214
  793    H    ASP 105           H        ASP 105   8.639 -14.561  -5.962
  794    HA   ASP 105           HA       ASP 105   5.933 -15.277  -6.586
  795   1HB   ASP 105          1HB       ASP 105   7.214 -16.588  -4.968
  796   2HB   ASP 105          2HB       ASP 105   7.384 -15.174  -3.932
  797    H    GLU 106           H        GLU 106   4.274 -13.935  -6.634
  798    HA   GLU 106           HA       GLU 106   4.312 -11.239  -6.136
  799   1HB   GLU 106          1HB       GLU 106   2.532 -12.423  -7.368
  800   2HB   GLU 106          2HB       GLU 106   1.923 -13.070  -5.852
  801   1HG   GLU 106          1HG       GLU 106   0.591 -11.187  -6.585
  802   2HG   GLU 106          2HG       GLU 106   1.428 -10.811  -5.079
  803    H    CYS 107           H        CYS 107   2.871 -13.674  -3.960
  804    HA   CYS 107           HA       CYS 107   2.273 -11.984  -1.849
  805   1HB   CYS 107          1HB       CYS 107   3.018 -14.907  -1.863
  806   2HB   CYS 107          2HB       CYS 107   2.476 -14.067  -0.415
  807    H    ASN 108           H        ASN 108   5.355 -13.205  -2.851
  808    HA   ASN 108           HA       ASN 108   6.655 -12.577  -0.342
  809   1HB   ASN 108          1HB       ASN 108   7.450 -14.461  -1.731
  810   2HB   ASN 108          2HB       ASN 108   7.864 -13.326  -3.015
  811   1HD2  ASN 108          1HD2      ASN 108  10.024 -13.921  -2.962
  812   2HD2  ASN 108          2HD2      ASN 108  11.080 -13.441  -1.683
  813    H    ILE 109           H        ILE 109   6.164 -11.112  -3.475
  814    HA   ILE 109           HA       ILE 109   8.098  -9.044  -3.206
  815    HB   ILE 109           HB       ILE 109   5.588  -9.058  -4.889
  816   1HG1  ILE 109          1HG1      ILE 109   8.383  -9.755  -5.778
  817   2HG1  ILE 109          2HG1      ILE 109   7.230 -10.967  -5.233
  818   1HG2  ILE 109          1HG2      ILE 109   6.788  -7.413  -6.269
  819   2HG2  ILE 109          2HG2      ILE 109   8.107  -7.413  -5.100
  820   3HG2  ILE 109          3HG2      ILE 109   6.511  -6.830  -4.627
  821   1HD1  ILE 109          1HD1      ILE 109   5.692 -10.273  -7.015
  822   2HD1  ILE 109          2HD1      ILE 109   7.238 -10.852  -7.635
  823   3HD1  ILE 109          3HD1      ILE 109   6.901  -9.120  -7.580
  824    H    GLY 110           H        GLY 110   4.671  -9.346  -2.433
  825   1HA   GLY 110          1HA       GLY 110   4.376  -6.592  -1.676
  826   2HA   GLY 110          2HA       GLY 110   3.198  -7.872  -1.441
  827    H    ASN 111           H        ASN 111   4.430  -9.655   0.156
  828    HA   ASN 111           HA       ASN 111   4.133  -8.642   2.695
  829   1HB   ASN 111          1HB       ASN 111   4.104 -10.967   2.540
  830   2HB   ASN 111          2HB       ASN 111   5.619 -11.029   1.646
  831   1HD2  ASN 111          1HD2      ASN 111   4.177 -10.450   4.782
  832   2HD2  ASN 111          2HD2      ASN 111   5.577 -10.839   5.708
  833    H    LYS 112           H        LYS 112   6.981  -8.617   0.668
  834    HA   LYS 112           HA       LYS 112   8.730  -7.709   2.769
  835   1HB   LYS 112          1HB       LYS 112   9.036  -7.955  -0.218
  836   2HB   LYS 112          2HB       LYS 112  10.291  -7.273   0.804
  837   1HG   LYS 112          1HG       LYS 112  10.328  -9.409   2.078
  838   2HG   LYS 112          2HG       LYS 112   9.188 -10.072   0.907
  839   1HD   LYS 112          1HD       LYS 112  11.375 -10.767   0.255
  840   2HD   LYS 112          2HD       LYS 112  10.850  -9.528  -0.886
  841   1HE   LYS 112          1HE       LYS 112  13.182  -9.204  -0.211
  842   2HE   LYS 112          2HE       LYS 112  12.164  -7.855   0.296
  843   1HZ   LYS 112          1HZ       LYS 112  12.072  -8.819   2.517
  844   2HZ   LYS 112          2HZ       LYS 112  13.670  -8.512   2.055
  845   3HZ   LYS 112          3HZ       LYS 112  13.072 -10.094   2.027
  846    H    TYR 113           H        TYR 113   6.946  -6.311   0.093
  847    HA   TYR 113           HA       TYR 113   7.980  -3.679   0.349
  848   1HB   TYR 113          1HB       TYR 113   6.711  -4.815  -1.630
  849   2HB   TYR 113          2HB       TYR 113   5.267  -4.271  -0.786
  850    HD1  TYR 113           1HD      TYR 113   4.855  -1.841  -0.482
  851    HD2  TYR 113           2HD      TYR 113   8.103  -3.291  -2.814
  852    HE1  TYR 113           1HE      TYR 113   5.089   0.375  -1.524
  853    HE2  TYR 113           2HE      TYR 113   8.350  -1.083  -3.860
  854    HH   TYR 113           HH       TYR 113   6.805   1.701  -2.664
  855    H    THR 114           H        THR 114   4.680  -4.858   1.060
  856    HA   THR 114           HA       THR 114   3.753  -2.691   2.452
  857    HB   THR 114           HB       THR 114   2.375  -4.663   1.828
  858    HG1  THR 114           1HG      THR 114   2.316  -3.364   4.282
  859   1HG2  THR 114          1HG2      THR 114   3.942  -6.392   2.691
  860   2HG2  THR 114          2HG2      THR 114   2.287  -6.601   3.265
  861   3HG2  THR 114          3HG2      THR 114   3.510  -5.912   4.332
  862    H    ASP 115           H        ASP 115   5.878  -5.227   3.572
  863    HA   ASP 115           HA       ASP 115   5.815  -5.026   6.289
  864   1HB   ASP 115          1HB       ASP 115   7.304  -6.557   5.074
  865   2HB   ASP 115          2HB       ASP 115   8.301  -5.192   4.563
  866    H    CYS 116           H        CYS 116   8.272  -3.268   4.428
  867    HA   CYS 116           HA       CYS 116   8.779  -1.432   6.539
  868   1HB   CYS 116          1HB       CYS 116  10.090  -0.242   4.642
  869   2HB   CYS 116          2HB       CYS 116  10.631  -1.830   5.185
  870    H    TYR 117           H        TYR 117   6.595  -1.442   3.855
  871    HA   TYR 117           HA       TYR 117   6.286   1.341   3.550
  872   1HB   TYR 117          1HB       TYR 117   5.437  -0.709   2.100
  873   2HB   TYR 117          2HB       TYR 117   3.981  -0.494   3.062
  874    HD1  TYR 117           1HD      TYR 117   2.493   0.243   1.352
  875    HD2  TYR 117           2HD      TYR 117   6.221   2.220   1.919
  876    HE1  TYR 117           1HE      TYR 117   1.761   2.039  -0.155
  877    HE2  TYR 117           2HE      TYR 117   5.497   4.021   0.413
  878    HH   TYR 117           HH       TYR 117   3.890   4.366  -1.409
  879    H    ILE 118           H        ILE 118   4.171  -0.988   5.228
  880    HA   ILE 118           HA       ILE 118   2.494   0.915   6.406
  881    HB   ILE 118           HB       ILE 118   3.196  -1.822   7.479
  882   1HG1  ILE 118          1HG1      ILE 118   2.417  -1.937   5.162
  883   2HG1  ILE 118          2HG1      ILE 118   1.203  -2.592   6.255
  884   1HG2  ILE 118          1HG2      ILE 118   0.977  -1.715   8.541
  885   2HG2  ILE 118          2HG2      ILE 118   0.809  -0.050   7.986
  886   3HG2  ILE 118          3HG2      ILE 118   2.073  -0.472   9.142
  887   1HD1  ILE 118          1HD1      ILE 118   0.156  -1.258   4.543
  888   2HD1  ILE 118          2HD1      ILE 118   1.167   0.125   4.961
  889   3HD1  ILE 118          3HD1      ILE 118  -0.032  -0.470   6.109
  890    H    GLU 119           H        GLU 119   5.731   0.119   7.115
  891    HA   GLU 119           HA       GLU 119   5.750   0.671   9.896
  892   1HB   GLU 119          1HB       GLU 119   7.544  -0.577   8.760
  893   2HB   GLU 119          2HB       GLU 119   8.006   0.881   7.896
  894   1HG   GLU 119          1HG       GLU 119   9.495   0.473   9.759
  895   2HG   GLU 119          2HG       GLU 119   8.579   1.961  10.006
  896    H    LYS 120           H        LYS 120   6.924   2.675   7.160
  897    HA   LYS 120           HA       LYS 120   6.922   5.011   8.881
  898   1HB   LYS 120          1HB       LYS 120   7.614   4.795   5.950
  899   2HB   LYS 120          2HB       LYS 120   7.936   6.168   6.995
  900   1HG   LYS 120          1HG       LYS 120   9.987   5.159   6.951
  901   2HG   LYS 120          2HG       LYS 120   9.284   4.413   8.387
  902   1HD   LYS 120          1HD       LYS 120   8.766   2.422   7.196
  903   2HD   LYS 120          2HD       LYS 120   9.146   3.177   5.646
  904   1HE   LYS 120          1HE       LYS 120  10.950   1.708   6.340
  905   2HE   LYS 120          2HE       LYS 120  11.489   3.385   6.332
  906   1HZ   LYS 120          1HZ       LYS 120  11.160   3.453   8.734
  907   2HZ   LYS 120          2HZ       LYS 120  12.263   2.244   8.302
  908   3HZ   LYS 120          3HZ       LYS 120  10.679   1.829   8.729
  909    H    LEU 121           H        LEU 121   5.183   3.825   6.039
  910    HA   LEU 121           HA       LEU 121   3.710   6.121   5.462
  911   1HB   LEU 121          1HB       LEU 121   3.788   4.351   3.887
  912   2HB   LEU 121          2HB       LEU 121   3.081   3.213   5.015
  913    HG   LEU 121           HG       LEU 121   1.496   5.591   4.254
  914   1HD1  LEU 121          1HD1      LEU 121   0.666   4.307   2.257
  915   2HD1  LEU 121          2HD1      LEU 121   2.096   3.290   2.431
  916   3HD1  LEU 121          3HD1      LEU 121   2.273   5.014   2.105
  917   1HD2  LEU 121          1HD2      LEU 121   0.806   2.684   4.658
  918   2HD2  LEU 121          2HD2      LEU 121  -0.345   3.993   4.398
  919   3HD2  LEU 121          3HD2      LEU 121   0.629   3.958   5.866
  920    H    PHE 122           H        PHE 122   2.851   3.397   7.607
  921    HA   PHE 122           HA       PHE 122   0.351   4.629   8.326
  922   1HB   PHE 122          1HB       PHE 122   1.161   2.064   8.397
  923   2HB   PHE 122          2HB       PHE 122   1.463   2.510  10.075
  924    HD1  PHE 122           1HD      PHE 122  -0.904   1.193   7.896
  925    HD2  PHE 122           2HD      PHE 122  -0.549   3.897  11.165
  926    HE1  PHE 122           1HE      PHE 122  -3.285   0.873   8.413
  927    HE2  PHE 122           2HE      PHE 122  -2.933   3.582  11.685
  928    HZ   PHE 122           HZ       PHE 122  -4.317   2.110  10.274
  929    H    SER 123           H        SER 123   2.409   6.412   8.717
  930    HA   SER 123           HA       SER 123   3.479   6.522  11.301
  931   1HB   SER 123          1HB       SER 123   4.281   7.958   9.484
  932   2HB   SER 123          2HB       SER 123   2.735   8.806   9.455
  933    HG   SER 123           HG       SER 123   4.469   9.839  10.680
  934   1H4   TSD 124          1H4       TSP 124  -2.467  -0.981  -1.747
  935   2H4   TSD 124          2H4       TSP 124  -0.901  -0.376  -2.237
  936   3H4   TSD 124          3H4       TSP 124  -2.266  -0.245  -3.321
  937   1H5   TSD 124          1H5       TSP 124  -4.359   2.536  -2.342
  938   2H5   TSD 124          2H5       TSP 124  -3.469   1.845  -3.679
  939   3H5   TSD 124          3H5       TSP 124  -2.921   3.330  -2.937
  940   1H6   TSD 124          1H6       TSP 124  -0.949   2.817  -0.230
  941   2H6   TSD 124          2H6       TSP 124  -0.652   3.072  -1.933
  942   3H6   TSD 124          3H6       TSP 124  -0.012   1.653  -1.139
  943   1D3   TSD 124          1D3       TSP 124  -3.613   2.141   0.321
  944   2D3   TSD 124          2D3       TSP 124  -4.218   0.619  -0.302
  945   1D2   TSD 124          1D2       TSP 124  -1.693   0.952   1.351
  946   2D2   TSD 124          2D2       TSP 124  -2.330  -0.576   0.746
  Start of MODEL   17
    1    HA   ILE   1           HA       ILE   1  -0.281  13.768  10.442
    2    HB   ILE   1           HB       ILE   1  -0.748  12.038   8.730
    3   1HG1  ILE   1          1HG1      ILE   1   1.553  10.560  10.032
    4   2HG1  ILE   1          2HG1      ILE   1  -0.138  10.073  10.112
    5   1HG2  ILE   1          1HG2      ILE   1   0.889  13.796   8.319
    6   2HG2  ILE   1          2HG2      ILE   1   1.367  12.294   7.529
    7   3HG2  ILE   1          3HG2      ILE   1   2.156  12.793   9.024
    8   1HD1  ILE   1          1HD1      ILE   1   1.042   8.764   8.465
    9   2HD1  ILE   1          2HD1      ILE   1   1.557  10.230   7.631
   10   3HD1  ILE   1          3HD1      ILE   1  -0.151   9.794   7.674
   11    H    ASP   2           H        ASP   2  -2.490  12.896   9.960
   12    HA   ASP   2           HA       ASP   2  -3.596  11.800  12.395
   13   1HB   ASP   2          1HB       ASP   2  -4.913  12.766   9.850
   14   2HB   ASP   2          2HB       ASP   2  -5.779  12.275  11.302
   15    H    GLN   3           H        GLN   3  -4.690   9.883  12.626
   16    HA   GLN   3           HA       GLN   3  -3.893   7.718  10.984
   17   1HB   GLN   3          1HB       GLN   3  -6.094   7.825  13.056
   18   2HB   GLN   3          2HB       GLN   3  -5.386   6.362  12.385
   19   1HG   GLN   3          1HG       GLN   3  -3.238   6.928  13.365
   20   2HG   GLN   3          2HG       GLN   3  -3.914   8.427  14.005
   21   1HE2  GLN   3          1HE2      GLN   3  -5.337   8.346  15.741
   22   2HE2  GLN   3          2HE2      GLN   3  -5.495   6.942  16.736
   23    H    ASP   4           H        ASP   4  -6.353  10.002  10.669
   24    HA   ASP   4           HA       ASP   4  -8.200   8.323   9.211
   25   1HB   ASP   4          1HB       ASP   4  -8.124  11.318   9.636
   26   2HB   ASP   4          2HB       ASP   4  -9.420  10.459   8.810
   27    H    THR   5           H        THR   5  -5.891  10.909   8.471
   28    HA   THR   5           HA       THR   5  -6.345  11.125   5.725
   29    HB   THR   5           HB       THR   5  -4.007  11.949   5.562
   30    HG1  THR   5           1HG      THR   5  -2.624  11.477   7.088
   31   1HG2  THR   5          1HG2      THR   5  -5.813  13.466   6.228
   32   2HG2  THR   5          2HG2      THR   5  -4.297  13.887   7.022
   33   3HG2  THR   5          3HG2      THR   5  -5.553  13.034   7.919
   34    H    VAL   6           H        VAL   6  -4.710   8.694   7.573
   35    HA   VAL   6           HA       VAL   6  -3.525   7.504   5.199
   36    HB   VAL   6           HB       VAL   6  -3.519   6.514   8.055
   37   1HG1  VAL   6          1HG1      VAL   6  -3.159   4.706   6.495
   38   2HG1  VAL   6          2HG1      VAL   6  -1.644   5.101   7.307
   39   3HG1  VAL   6          3HG1      VAL   6  -1.924   5.641   5.651
   40   1HG2  VAL   6          1HG2      VAL   6  -2.395   8.699   7.734
   41   2HG2  VAL   6          2HG2      VAL   6  -1.339   7.941   6.541
   42   3HG2  VAL   6          3HG2      VAL   6  -1.293   7.411   8.222
   43    H    VAL   7           H        VAL   7  -5.508   6.174   7.839
   44    HA   VAL   7           HA       VAL   7  -6.332   3.903   6.390
   45    HB   VAL   7           HB       VAL   7  -7.635   5.153   8.808
   46   1HG1  VAL   7          1HG1      VAL   7  -8.475   2.879   9.238
   47   2HG1  VAL   7          2HG1      VAL   7  -7.802   2.353   7.695
   48   3HG1  VAL   7          3HG1      VAL   7  -9.099   3.547   7.730
   49   1HG2  VAL   7          1HG2      VAL   7  -6.285   3.567  10.101
   50   2HG2  VAL   7          2HG2      VAL   7  -5.278   4.698   9.196
   51   3HG2  VAL   7          3HG2      VAL   7  -5.487   3.045   8.617
   52    H    ALA   8           H        ALA   8  -8.345   6.650   7.446
   53    HA   ALA   8           HA       ALA   8 -10.590   5.859   5.955
   54   1HB   ALA   8          1HB       ALA   8 -11.505   8.043   6.491
   55   2HB   ALA   8          2HB       ALA   8  -9.909   8.607   6.984
   56   3HB   ALA   8          3HB       ALA   8 -10.715   7.333   7.899
   57    H    LYS   9           H        LYS   9  -7.734   7.578   4.931
   58    HA   LYS   9           HA       LYS   9  -9.152   8.700   2.640
   59   1HB   LYS   9          1HB       LYS   9  -6.790   9.387   4.071
   60   2HB   LYS   9          2HB       LYS   9  -6.371   9.129   2.385
   61   1HG   LYS   9          1HG       LYS   9  -6.880  11.422   2.624
   62   2HG   LYS   9          2HG       LYS   9  -8.244  10.686   1.784
   63   1HD   LYS   9          1HD       LYS   9  -9.483  10.583   3.896
   64   2HD   LYS   9          2HD       LYS   9  -8.114  11.321   4.731
   65   1HE   LYS   9          1HE       LYS   9  -9.776  12.567   2.546
   66   2HE   LYS   9          2HE       LYS   9  -9.802  12.994   4.256
   67   1HZ   LYS   9          1HZ       LYS   9  -7.495  13.703   4.070
   68   2HZ   LYS   9          2HZ       LYS   9  -8.475  14.555   2.987
   69   3HZ   LYS   9          3HZ       LYS   9  -7.484  13.306   2.426
   70    H    TYR  10           H        TYR  10  -6.273   6.627   3.102
   71    HA   TYR  10           HA       TYR  10  -5.909   5.924   0.445
   72   1HB   TYR  10          1HB       TYR  10  -5.228   4.592   3.033
   73   2HB   TYR  10          2HB       TYR  10  -5.002   3.701   1.532
   74    HD1  TYR  10           1HD      TYR  10  -3.713   5.083  -0.347
   75    HD2  TYR  10           2HD      TYR  10  -3.439   5.814   3.834
   76    HE1  TYR  10           1HE      TYR  10  -1.542   6.187  -0.688
   77    HE2  TYR  10           2HE      TYR  10  -1.270   6.921   3.504
   78    HH   TYR  10           HH       TYR  10   0.558   6.941   1.873
   79    H    MET  11           H        MET  11  -7.789   4.216   2.922
   80    HA   MET  11           HA       MET  11  -8.697   2.094   1.377
   81   1HB   MET  11          1HB       MET  11  -8.963   2.260   3.823
   82   2HB   MET  11          2HB       MET  11 -10.145   3.537   3.607
   83   1HG   MET  11          1HG       MET  11 -11.283   1.484   4.064
   84   2HG   MET  11          2HG       MET  11 -11.593   1.955   2.394
   85   1HE   MET  11          1HE       MET  11  -9.804  -0.517   4.804
   86   2HE   MET  11          2HE       MET  11  -8.415   0.235   4.020
   87   3HE   MET  11          3HE       MET  11  -8.791  -1.461   3.713
   88    H    GLU  12           H        GLU  12 -10.000   5.344   1.766
   89    HA   GLU  12           HA       GLU  12 -12.299   4.815   0.116
   90   1HB   GLU  12          1HB       GLU  12 -12.320   6.435   2.003
   91   2HB   GLU  12          2HB       GLU  12 -11.224   7.464   1.091
   92   1HG   GLU  12          1HG       GLU  12 -12.960   7.551  -0.715
   93   2HG   GLU  12          2HG       GLU  12 -14.054   6.730   0.397
   94    H    TYR  13           H        TYR  13  -9.059   5.977  -0.413
   95    HA   TYR  13           HA       TYR  13  -9.466   7.482  -2.732
   96   1HB   TYR  13          1HB       TYR  13  -7.321   7.122  -1.289
   97   2HB   TYR  13          2HB       TYR  13  -7.018   5.788  -2.396
   98    HD1  TYR  13           1HD      TYR  13  -7.045   9.392  -1.978
   99    HD2  TYR  13           2HD      TYR  13  -6.661   6.238  -4.808
  100    HE1  TYR  13           1HE      TYR  13  -6.089  10.973  -3.600
  101    HE2  TYR  13           2HE      TYR  13  -5.700   7.811  -6.437
  102    HH   TYR  13           HH       TYR  13  -4.651  10.925  -5.590
  103    H    LEU  14           H        LEU  14  -9.393   4.031  -2.229
  104    HA   LEU  14           HA       LEU  14 -10.221   3.638  -4.994
  105   1HB   LEU  14          1HB       LEU  14  -7.829   2.259  -3.780
  106   2HB   LEU  14          2HB       LEU  14  -8.618   1.733  -5.251
  107    HG   LEU  14           HG       LEU  14  -7.315   4.434  -4.890
  108   1HD1  LEU  14          1HD1      LEU  14  -5.537   3.561  -6.317
  109   2HD1  LEU  14          2HD1      LEU  14  -6.308   1.973  -6.314
  110   3HD1  LEU  14          3HD1      LEU  14  -5.662   2.643  -4.814
  111   1HD2  LEU  14          1HD2      LEU  14  -7.533   4.576  -7.330
  112   2HD2  LEU  14          2HD2      LEU  14  -9.104   4.443  -6.539
  113   3HD2  LEU  14          3HD2      LEU  14  -8.399   3.038  -7.338
  114    H    MET  15           H        MET  15 -11.715   3.432  -2.596
  115    HA   MET  15           HA       MET  15 -11.861   0.839  -1.559
  116   1HB   MET  15          1HB       MET  15 -12.931   2.538  -0.332
  117   2HB   MET  15          2HB       MET  15 -13.847   3.089  -1.725
  118   1HG   MET  15          1HG       MET  15 -15.152   1.035  -1.676
  119   2HG   MET  15          2HG       MET  15 -14.245   0.487  -0.269
  120   1HE   MET  15          1HE       MET  15 -14.334   1.700   2.105
  121   2HE   MET  15          2HE       MET  15 -15.290   3.145   2.425
  122   3HE   MET  15          3HE       MET  15 -13.902   3.229   1.345
  123    HA   PRO  16           HA       PRO  16 -15.366   0.005  -4.842
  124   1HB   PRO  16          1HB       PRO  16 -14.634   1.862  -7.013
  125   2HB   PRO  16          2HB       PRO  16 -16.224   1.484  -6.345
  126   1HG   PRO  16          1HG       PRO  16 -15.032   3.839  -5.878
  127   2HG   PRO  16          2HG       PRO  16 -16.034   3.042  -4.652
  128   1HD   PRO  16          1HD       PRO  16 -13.053   3.180  -4.868
  129   2HD   PRO  16          2HD       PRO  16 -14.087   3.292  -3.431
  130    H    ASP  17           H        ASP  17 -12.081   0.872  -5.612
  131    HA   ASP  17           HA       ASP  17 -11.907  -1.013  -7.809
  132   1HB   ASP  17          1HB       ASP  17  -9.764   0.659  -6.485
  133   2HB   ASP  17          2HB       ASP  17  -9.561  -0.285  -7.956
  134    H    ILE  18           H        ILE  18 -11.689  -1.164  -4.460
  135    HA   ILE  18           HA       ILE  18  -9.709  -3.289  -4.385
  136    HB   ILE  18           HB       ILE  18 -11.332  -1.918  -2.249
  137   1HG1  ILE  18          1HG1      ILE  18  -8.341  -2.136  -2.614
  138   2HG1  ILE  18          2HG1      ILE  18  -9.302  -0.803  -3.247
  139   1HG2  ILE  18          1HG2      ILE  18  -9.482  -4.279  -1.935
  140   2HG2  ILE  18          2HG2      ILE  18 -11.207  -4.223  -1.569
  141   3HG2  ILE  18          3HG2      ILE  18 -10.068  -3.283  -0.603
  142   1HD1  ILE  18          1HD1      ILE  18 -10.011  -0.274  -0.947
  143   2HD1  ILE  18          2HD1      ILE  18  -8.266  -0.157  -1.181
  144   3HD1  ILE  18          3HD1      ILE  18  -8.953  -1.556  -0.356
  145    H    MET  19           H        MET  19 -13.165  -2.915  -4.397
  146    HA   MET  19           HA       MET  19 -14.100  -5.211  -3.253
  147   1HB   MET  19          1HB       MET  19 -15.119  -3.986  -5.820
  148   2HB   MET  19          2HB       MET  19 -16.017  -5.078  -4.776
  149   1HG   MET  19          1HG       MET  19 -15.804  -3.395  -2.954
  150   2HG   MET  19          2HG       MET  19 -15.089  -2.293  -4.129
  151   1HE   MET  19          1HE       MET  19 -16.394  -1.369  -6.273
  152   2HE   MET  19          2HE       MET  19 -18.052  -1.820  -6.670
  153   3HE   MET  19          3HE       MET  19 -16.766  -3.024  -6.756
  154    HA   PRO  20           HA       PRO  20 -13.460  -7.414  -7.752
  155   1HB   PRO  20          1HB       PRO  20 -10.694  -6.262  -7.863
  156   2HB   PRO  20          2HB       PRO  20 -11.739  -6.804  -9.185
  157   1HG   PRO  20          1HG       PRO  20 -11.499  -4.214  -8.629
  158   2HG   PRO  20          2HG       PRO  20 -13.065  -4.904  -9.095
  159   1HD   PRO  20          1HD       PRO  20 -12.126  -3.972  -6.442
  160   2HD   PRO  20          2HD       PRO  20 -13.772  -4.047  -7.097
  161    H    CYS  21           H        CYS  21 -10.501  -6.780  -5.830
  162    HA   CYS  21           HA       CYS  21  -9.985  -9.635  -5.659
  163   1HB   CYS  21          1HB       CYS  21  -8.469  -7.189  -4.783
  164   2HB   CYS  21          2HB       CYS  21  -7.969  -8.809  -4.313
  165    H    ALA  22           H        ALA  22 -11.522  -7.229  -3.788
  166    HA   ALA  22           HA       ALA  22 -11.124  -8.374  -1.216
  167   1HB   ALA  22          1HB       ALA  22 -13.362  -6.590  -2.177
  168   2HB   ALA  22          2HB       ALA  22 -11.820  -6.043  -1.523
  169   3HB   ALA  22          3HB       ALA  22 -12.949  -6.926  -0.497
  170    H    ASP  23           H        ASP  23 -12.854  -9.392  -3.900
  171    HA   ASP  23           HA       ASP  23 -14.985 -10.733  -2.476
  172   1HB   ASP  23          1HB       ASP  23 -15.488  -9.906  -4.684
  173   2HB   ASP  23          2HB       ASP  23 -14.127 -10.785  -5.376
  174    H    GLU  24           H        GLU  24 -12.241 -11.811  -4.497
  175    HA   GLU  24           HA       GLU  24 -12.484 -14.513  -3.561
  176   1HB   GLU  24          1HB       GLU  24 -10.815 -13.041  -5.525
  177   2HB   GLU  24          2HB       GLU  24 -10.172 -14.539  -4.881
  178   1HG   GLU  24          1HG       GLU  24 -12.176 -15.723  -5.628
  179   2HG   GLU  24          2HG       GLU  24 -12.816 -14.213  -6.273
  180    H    LEU  25           H        LEU  25 -10.067 -11.944  -3.283
  181    HA   LEU  25           HA       LEU  25  -8.611 -13.401  -1.227
  182   1HB   LEU  25          1HB       LEU  25  -8.129 -10.648  -2.323
  183   2HB   LEU  25          2HB       LEU  25  -6.998 -11.610  -1.392
  184    HG   LEU  25           HG       LEU  25  -7.971 -12.276  -4.176
  185   1HD1  LEU  25          1HD1      LEU  25  -6.521 -10.312  -4.145
  186   2HD1  LEU  25          2HD1      LEU  25  -5.713 -11.693  -4.884
  187   3HD1  LEU  25          3HD1      LEU  25  -5.309 -11.215  -3.236
  188   1HD2  LEU  25          1HD2      LEU  25  -7.445 -14.282  -2.949
  189   2HD2  LEU  25          2HD2      LEU  25  -5.924 -13.587  -2.391
  190   3HD2  LEU  25          3HD2      LEU  25  -6.150 -13.956  -4.101
  191    H    HIS  26           H        HIS  26 -11.210 -12.694  -0.522
  192    HA   HIS  26           HA       HIS  26 -11.502 -10.275   0.852
  193   1HB   HIS  26          1HB       HIS  26 -13.399 -11.413   2.011
  194   2HB   HIS  26          2HB       HIS  26 -13.443 -11.551   0.258
  195    HD1  HIS  26           1HD      HIS  26 -13.435 -13.546   3.328
  196    HD2  HIS  26           2HD      HIS  26 -12.669 -14.178  -0.708
  197    HE1  HIS  26           1HE      HIS  26 -13.516 -16.039   3.009
  198    HE2  HIS  26           2HE      HIS  26 -13.032 -16.401   0.564
  199    H    ILE  27           H        ILE  27  -9.321 -10.291   1.854
  200    HA   ILE  27           HA       ILE  27  -9.574 -10.981   4.653
  201    HB   ILE  27           HB       ILE  27  -6.923 -11.747   3.585
  202   1HG1  ILE  27          1HG1      ILE  27  -9.204 -13.709   3.391
  203   2HG1  ILE  27          2HG1      ILE  27  -8.617 -12.803   1.998
  204   1HG2  ILE  27          1HG2      ILE  27  -8.739 -13.027   5.619
  205   2HG2  ILE  27          2HG2      ILE  27  -7.540 -11.786   5.971
  206   3HG2  ILE  27          3HG2      ILE  27  -7.023 -13.362   5.372
  207   1HD1  ILE  27          1HD1      ILE  27  -7.666 -15.030   2.057
  208   2HD1  ILE  27          2HD1      ILE  27  -7.013 -14.727   3.668
  209   3HD1  ILE  27          3HD1      ILE  27  -6.410 -13.813   2.285
  210    H    SER  28           H        SER  28  -9.663  -8.503   3.501
  211    HA   SER  28           HA       SER  28  -7.362  -7.087   3.058
  212   1HB   SER  28          1HB       SER  28  -8.647  -5.143   4.225
  213   2HB   SER  28          2HB       SER  28  -9.300  -5.846   2.744
  214    HG   SER  28           HG       SER  28 -11.016  -5.980   4.001
  215    H    GLU  29           H        GLU  29  -6.102  -5.666   4.379
  216    HA   GLU  29           HA       GLU  29  -4.713  -6.813   6.380
  217   1HB   GLU  29          1HB       GLU  29  -5.182  -4.037   5.538
  218   2HB   GLU  29          2HB       GLU  29  -4.583  -4.216   7.183
  219   1HG   GLU  29          1HG       GLU  29  -2.615  -5.238   6.483
  220   2HG   GLU  29          2HG       GLU  29  -3.255  -5.610   4.883
  221    H    ASP  30           H        ASP  30  -7.868  -5.386   6.710
  222    HA   ASP  30           HA       ASP  30  -7.800  -5.086   9.544
  223   1HB   ASP  30          1HB       ASP  30 -10.119  -5.296   7.616
  224   2HB   ASP  30          2HB       ASP  30 -10.295  -4.929   9.329
  225    H    ILE  31           H        ILE  31  -9.715  -7.376   7.591
  226    HA   ILE  31           HA       ILE  31 -10.084  -9.158   9.808
  227    HB   ILE  31           HB       ILE  31 -10.581  -9.794   6.905
  228   1HG1  ILE  31          1HG1      ILE  31 -11.617  -7.626   7.423
  229   2HG1  ILE  31          2HG1      ILE  31 -12.838  -8.872   7.183
  230   1HG2  ILE  31          1HG2      ILE  31 -12.390 -11.198   7.847
  231   2HG2  ILE  31          2HG2      ILE  31 -11.828 -10.780   9.466
  232   3HG2  ILE  31          3HG2      ILE  31 -10.781 -11.688   8.375
  233   1HD1  ILE  31          1HD1      ILE  31 -13.417  -7.434   9.042
  234   2HD1  ILE  31          2HD1      ILE  31 -11.886  -7.807   9.832
  235   3HD1  ILE  31          3HD1      ILE  31 -13.094  -9.074   9.609
  236    H    ALA  32           H        ALA  32  -7.512  -8.582   7.828
  237    HA   ALA  32           HA       ALA  32  -6.559 -11.149   7.165
  238   1HB   ALA  32          1HB       ALA  32  -4.417 -10.052   6.811
  239   2HB   ALA  32          2HB       ALA  32  -4.995  -8.621   7.658
  240   3HB   ALA  32          3HB       ALA  32  -5.730  -9.097   6.129
  241    H    THR  33           H        THR  33  -6.914  -9.681  10.173
  242    HA   THR  33           HA       THR  33  -4.697 -10.346  11.653
  243    HB   THR  33           HB       THR  33  -7.569 -10.613  12.568
  244    HG1  THR  33           1HG      THR  33  -7.302  -8.528  11.903
  245   1HG2  THR  33          1HG2      THR  33  -5.021 -10.195  14.138
  246   2HG2  THR  33          2HG2      THR  33  -6.002 -11.660  14.121
  247   3HG2  THR  33          3HG2      THR  33  -6.652 -10.171  14.807
  248    H    ASN  34           H        ASN  34  -7.590 -12.360  11.995
  249    HA   ASN  34           HA       ASN  34  -7.920 -14.597  12.050
  250   1HB   ASN  34          1HB       ASN  34  -6.663 -14.669   9.911
  251   2HB   ASN  34          2HB       ASN  34  -5.169 -14.857  10.821
  252   1HD2  ASN  34          1HD2      ASN  34  -6.347 -16.632   8.865
  253   2HD2  ASN  34          2HD2      ASN  34  -6.598 -18.145   9.662
  254    H    ILE  35           H        ILE  35  -4.444 -14.932  12.456
  255    HA   ILE  35           HA       ILE  35  -4.522 -14.828  15.293
  256    HB   ILE  35           HB       ILE  35  -5.626 -17.086  14.485
  257   1HG1  ILE  35          1HG1      ILE  35  -3.607 -16.996  16.728
  258   2HG1  ILE  35          2HG1      ILE  35  -5.211 -16.263  16.780
  259   1HG2  ILE  35          1HG2      ILE  35  -4.150 -18.932  14.285
  260   2HG2  ILE  35          2HG2      ILE  35  -2.746 -17.937  14.661
  261   3HG2  ILE  35          3HG2      ILE  35  -3.601 -17.710  13.138
  262   1HD1  ILE  35          1HD1      ILE  35  -5.210 -18.389  17.931
  263   2HD1  ILE  35          2HD1      ILE  35  -4.598 -19.196  16.487
  264   3HD1  ILE  35          3HD1      ILE  35  -6.211 -18.485  16.482
  265    H    GLN  36           H        GLN  36  -2.962 -13.964  12.891
  266    HA   GLN  36           HA       GLN  36  -0.314 -14.743  13.877
  267   1HB   GLN  36          1HB       GLN  36  -0.980 -14.411  10.948
  268   2HB   GLN  36          2HB       GLN  36   0.555 -14.922  11.635
  269   1HG   GLN  36          1HG       GLN  36  -0.437 -16.983  12.412
  270   2HG   GLN  36          2HG       GLN  36  -2.021 -16.467  11.833
  271   1HE2  GLN  36          1HE2      GLN  36  -0.467 -18.824  11.124
  272   2HE2  GLN  36          2HE2      GLN  36  -0.232 -18.752   9.414
  273    H    ALA  37           H        ALA  37   0.438 -12.918  14.735
  274    HA   ALA  37           HA       ALA  37  -0.424 -10.336  14.057
  275   1HB   ALA  37          1HB       ALA  37   0.549 -10.870  16.212
  276   2HB   ALA  37          2HB       ALA  37   1.413  -9.539  15.437
  277   3HB   ALA  37          3HB       ALA  37   2.113 -11.160  15.449
  278    H    ALA  38           H        ALA  38   1.555 -12.392  12.318
  279    HA   ALA  38           HA       ALA  38   3.164 -12.089  10.689
  280   1HB   ALA  38          1HB       ALA  38   0.915 -10.209  10.082
  281   2HB   ALA  38          2HB       ALA  38   1.273 -11.781   9.369
  282   3HB   ALA  38          3HB       ALA  38   2.276 -10.386   8.979
  283    H    LYS  39           H        LYS  39   2.568  -8.822   9.982
  284    HA   LYS  39           HA       LYS  39   5.183  -8.071  11.037
  285   1HB   LYS  39          1HB       LYS  39   4.730  -7.528   8.702
  286   2HB   LYS  39          2HB       LYS  39   3.296  -6.624   9.168
  287   1HG   LYS  39          1HG       LYS  39   5.148  -5.138   8.652
  288   2HG   LYS  39          2HG       LYS  39   4.684  -5.006  10.349
  289   1HD   LYS  39          1HD       LYS  39   6.545  -6.482  10.965
  290   2HD   LYS  39          2HD       LYS  39   7.012  -6.596   9.268
  291   1HE   LYS  39          1HE       LYS  39   7.424  -4.190   9.214
  292   2HE   LYS  39          2HE       LYS  39   6.930  -4.062  10.902
  293   1HZ   LYS  39          1HZ       LYS  39   9.254  -5.613   9.892
  294   2HZ   LYS  39          2HZ       LYS  39   8.780  -5.497  11.511
  295   3HZ   LYS  39          3HZ       LYS  39   9.333  -4.124  10.690
  296    H    ASN  40           H        ASN  40   1.957  -6.611  10.837
  297    HA   ASN  40           HA       ASN  40   2.273  -5.594  13.579
  298   1HB   ASN  40          1HB       ASN  40   1.173  -3.537  13.001
  299   2HB   ASN  40          2HB       ASN  40   2.485  -3.768  11.851
  300   1HD2  ASN  40          1HD2      ASN  40   1.123  -5.752  10.275
  301   2HD2  ASN  40          2HD2      ASN  40  -0.116  -4.931   9.400
  302    H    GLY  41           H        GLY  41   0.825  -7.754  11.767
  303   1HA   GLY  41          1HA       GLY  41  -0.922  -9.168  12.451
  304   2HA   GLY  41          2HA       GLY  41  -1.577  -7.856  13.423
  305    H    ALA  42           H        ALA  42  -1.067  -6.117  10.953
  306    HA   ALA  42           HA       ALA  42  -3.697  -6.528   9.789
  307   1HB   ALA  42          1HB       ALA  42  -2.926  -4.284  10.504
  308   2HB   ALA  42          2HB       ALA  42  -3.430  -4.368   8.813
  309   3HB   ALA  42          3HB       ALA  42  -1.714  -4.346   9.220
  310    H    ASP  43           H        ASP  43  -0.434  -5.914   8.502
  311    HA   ASP  43           HA       ASP  43  -1.262  -7.242   6.021
  312   1HB   ASP  43          1HB       ASP  43   0.689  -5.933   5.032
  313   2HB   ASP  43          2HB       ASP  43  -0.740  -5.022   5.497
  314    H    MET  44           H        MET  44   0.377  -8.320   4.783
  315    HA   MET  44           HA       MET  44   2.880  -9.088   5.750
  316   1HB   MET  44          1HB       MET  44   1.295 -10.338   7.345
  317   2HB   MET  44          2HB       MET  44   0.923 -11.358   5.963
  318   1HG   MET  44          1HG       MET  44   2.624 -12.390   7.333
  319   2HG   MET  44          2HG       MET  44   3.290 -11.946   5.760
  320   1HE   MET  44          1HE       MET  44   5.720 -12.331   6.785
  321   2HE   MET  44          2HE       MET  44   5.044 -12.692   8.373
  322   3HE   MET  44          3HE       MET  44   6.326 -11.492   8.213
  323    H    SER  45           H        SER  45   2.387 -11.918   4.602
  324    HA   SER  45           HA       SER  45   2.956 -11.191   1.884
  325   1HB   SER  45          1HB       SER  45   4.089 -13.083   3.056
  326   2HB   SER  45          2HB       SER  45   2.551 -13.945   3.078
  327    HG   SER  45           HG       SER  45   3.428 -14.674   1.263
  328    H    GLN  46           H        GLN  46   0.435 -13.072   3.515
  329    HA   GLN  46           HA       GLN  46  -1.159 -13.245   1.127
  330   1HB   GLN  46          1HB       GLN  46  -1.074 -15.043   2.882
  331   2HB   GLN  46          2HB       GLN  46  -1.952 -13.960   3.953
  332   1HG   GLN  46          1HG       GLN  46  -3.408 -15.610   2.864
  333   2HG   GLN  46          2HG       GLN  46  -3.847 -13.949   2.469
  334   1HE2  GLN  46          1HE2      GLN  46  -3.436 -13.160   0.391
  335   2HE2  GLN  46          2HE2      GLN  46  -3.143 -14.215  -0.944
  336    H    LEU  47           H        LEU  47  -0.845 -11.134   3.831
  337    HA   LEU  47           HA       LEU  47  -3.444  -9.929   3.419
  338   1HB   LEU  47          1HB       LEU  47  -1.460  -8.559   5.119
  339   2HB   LEU  47          2HB       LEU  47  -3.148  -8.883   5.432
  340    HG   LEU  47           HG       LEU  47  -0.801 -10.702   5.873
  341   1HD1  LEU  47          1HD1      LEU  47  -2.899  -9.671   7.752
  342   2HD1  LEU  47          2HD1      LEU  47  -1.238  -9.094   7.630
  343   3HD1  LEU  47          3HD1      LEU  47  -1.562 -10.742   8.167
  344   1HD2  LEU  47          1HD2      LEU  47  -2.509 -12.356   6.710
  345   2HD2  LEU  47          2HD2      LEU  47  -2.439 -12.159   4.962
  346   3HD2  LEU  47          3HD2      LEU  47  -3.730 -11.389   5.882
  347    H    GLY  48           H        GLY  48  -0.024  -9.256   2.892
  348   1HA   GLY  48          1HA       GLY  48  -0.400  -6.674   1.790
  349   2HA   GLY  48          2HA       GLY  48   1.012  -7.697   1.573
  350    H    CYS  49           H        CYS  49  -1.217  -9.742   0.690
  351    HA   CYS  49           HA       CYS  49  -0.756  -9.410  -2.096
  352   1HB   CYS  49          1HB       CYS  49  -1.642 -11.477  -0.386
  353   2HB   CYS  49          2HB       CYS  49  -2.863 -11.248  -1.628
  354    H    LEU  50           H        LEU  50  -3.898  -9.737  -0.407
  355    HA   LEU  50           HA       LEU  50  -5.488  -8.743  -2.451
  356   1HB   LEU  50          1HB       LEU  50  -6.621  -9.682  -0.604
  357   2HB   LEU  50          2HB       LEU  50  -5.787  -8.652   0.542
  358    HG   LEU  50           HG       LEU  50  -7.035  -6.698  -0.353
  359   1HD1  LEU  50          1HD1      LEU  50  -8.994  -7.097  -1.763
  360   2HD1  LEU  50          2HD1      LEU  50  -8.529  -8.791  -1.921
  361   3HD1  LEU  50          3HD1      LEU  50  -7.495  -7.527  -2.585
  362   1HD2  LEU  50          1HD2      LEU  50  -8.849  -7.049   0.984
  363   2HD2  LEU  50          2HD2      LEU  50  -7.798  -8.353   1.541
  364   3HD2  LEU  50          3HD2      LEU  50  -9.101  -8.692   0.401
  365    H    LYS  51           H        LYS  51  -3.535  -7.134  -0.069
  366    HA   LYS  51           HA       LYS  51  -4.449  -4.491  -0.640
  367   1HB   LYS  51          1HB       LYS  51  -3.283  -5.367   1.493
  368   2HB   LYS  51          2HB       LYS  51  -1.787  -5.188   0.588
  369   1HG   LYS  51          1HG       LYS  51  -1.780  -3.142   1.501
  370   2HG   LYS  51          2HG       LYS  51  -2.886  -2.762   0.179
  371   1HD   LYS  51          1HD       LYS  51  -3.792  -3.702   2.894
  372   2HD   LYS  51          2HD       LYS  51  -3.634  -2.002   2.455
  373   1HE   LYS  51          1HE       LYS  51  -5.854  -2.342   2.001
  374   2HE   LYS  51          2HE       LYS  51  -5.148  -2.720   0.431
  375   1HZ   LYS  51          1HZ       LYS  51  -6.755  -4.388   1.059
  376   2HZ   LYS  51          2HZ       LYS  51  -5.938  -4.690   2.508
  377   3HZ   LYS  51          3HZ       LYS  51  -5.211  -5.074   1.031
  378    H    ALA  52           H        ALA  52  -2.032  -6.673  -1.900
  379    HA   ALA  52           HA       ALA  52  -0.535  -4.674  -3.329
  380   1HB   ALA  52          1HB       ALA  52  -0.648  -7.675  -3.619
  381   2HB   ALA  52          2HB       ALA  52   0.567  -6.729  -2.757
  382   3HB   ALA  52          3HB       ALA  52   0.455  -6.628  -4.514
  383    H    CYS  53           H        CYS  53  -3.412  -6.500  -3.878
  384    HA   CYS  53           HA       CYS  53  -3.537  -6.461  -6.678
  385   1HB   CYS  53          1HB       CYS  53  -5.063  -7.826  -5.398
  386   2HB   CYS  53          2HB       CYS  53  -5.740  -6.407  -4.608
  387    H    VAL  54           H        VAL  54  -4.223  -4.019  -4.281
  388    HA   VAL  54           HA       VAL  54  -5.655  -2.242  -5.964
  389    HB   VAL  54           HB       VAL  54  -3.998  -1.373  -3.605
  390   1HG1  VAL  54          1HG1      VAL  54  -5.042   0.394  -4.894
  391   2HG1  VAL  54          2HG1      VAL  54  -5.829   0.246  -3.322
  392   3HG1  VAL  54          3HG1      VAL  54  -6.608  -0.406  -4.763
  393   1HG2  VAL  54          1HG2      VAL  54  -5.209  -3.351  -2.891
  394   2HG2  VAL  54          2HG2      VAL  54  -6.712  -2.691  -3.538
  395   3HG2  VAL  54          3HG2      VAL  54  -5.923  -1.908  -2.168
  396    H    MET  55           H        MET  55  -2.302  -2.956  -5.536
  397    HA   MET  55           HA       MET  55  -1.232  -0.530  -6.556
  398   1HB   MET  55          1HB       MET  55   0.006  -3.286  -6.542
  399   2HB   MET  55          2HB       MET  55   0.862  -1.770  -6.774
  400   1HG   MET  55          1HG       MET  55   0.234  -1.093  -4.499
  401   2HG   MET  55          2HG       MET  55  -0.559  -2.651  -4.274
  402   1HE   MET  55          1HE       MET  55   2.672  -2.963  -2.054
  403   2HE   MET  55          2HE       MET  55   0.913  -3.087  -2.081
  404   3HE   MET  55          3HE       MET  55   1.689  -1.521  -2.311
  405    H    LYS  56           H        LYS  56  -1.509  -3.756  -8.028
  406    HA   LYS  56           HA       LYS  56  -0.686  -3.040 -10.595
  407   1HB   LYS  56          1HB       LYS  56  -2.716  -5.145 -10.565
  408   2HB   LYS  56          2HB       LYS  56  -1.043  -5.201 -11.103
  409   1HG   LYS  56          1HG       LYS  56  -0.335  -5.431  -8.747
  410   2HG   LYS  56          2HG       LYS  56  -2.028  -5.476  -8.272
  411   1HD   LYS  56          1HD       LYS  56  -0.765  -7.413 -10.207
  412   2HD   LYS  56          2HD       LYS  56  -0.960  -7.724  -8.481
  413   1HE   LYS  56          1HE       LYS  56  -3.377  -7.502  -8.703
  414   2HE   LYS  56          2HE       LYS  56  -3.197  -7.144 -10.420
  415   1HZ   LYS  56          1HZ       LYS  56  -2.423  -9.690  -9.102
  416   2HZ   LYS  56          2HZ       LYS  56  -2.271  -9.347 -10.750
  417   3HZ   LYS  56          3HZ       LYS  56  -3.805  -9.453 -10.047
  418    H    ARG  57           H        ARG  57  -3.638  -2.381  -8.993
  419    HA   ARG  57           HA       ARG  57  -5.297  -2.187 -11.308
  420   1HB   ARG  57          1HB       ARG  57  -6.154  -2.531  -8.992
  421   2HB   ARG  57          2HB       ARG  57  -5.689  -0.879  -8.614
  422   1HG   ARG  57          1HG       ARG  57  -7.991  -0.811  -9.066
  423   2HG   ARG  57          2HG       ARG  57  -7.205  -0.155 -10.503
  424   1HD   ARG  57          1HD       ARG  57  -8.043  -3.037 -10.249
  425   2HD   ARG  57          2HD       ARG  57  -9.090  -1.785 -10.916
  426    HE   ARG  57           HE       ARG  57  -6.647  -1.691 -12.269
  427   1HH1  ARG  57          1HH1      ARG  57  -9.374  -3.832 -11.887
  428   2HH1  ARG  57          2HH1      ARG  57  -9.199  -4.540 -13.459
  429   1HH2  ARG  57          1HH2      ARG  57  -6.417  -2.618 -14.340
  430   2HH2  ARG  57          2HH2      ARG  57  -7.522  -3.851 -14.851
  431    H    ILE  58           H        ILE  58  -3.164   0.013  -9.621
  432    HA   ILE  58           HA       ILE  58  -3.961   2.154 -11.481
  433    HB   ILE  58           HB       ILE  58  -2.898   3.726  -9.869
  434   1HG1  ILE  58          1HG1      ILE  58  -2.857   1.327  -8.023
  435   2HG1  ILE  58          2HG1      ILE  58  -1.430   2.027  -8.779
  436   1HG2  ILE  58          1HG2      ILE  58  -5.305   3.398  -9.891
  437   2HG2  ILE  58          2HG2      ILE  58  -4.736   3.656  -8.243
  438   3HG2  ILE  58          3HG2      ILE  58  -5.147   2.031  -8.789
  439   1HD1  ILE  58          1HD1      ILE  58  -1.845   4.128  -7.596
  440   2HD1  ILE  58          2HD1      ILE  58  -1.643   2.770  -6.489
  441   3HD1  ILE  58          3HD1      ILE  58  -3.255   3.404  -6.823
  442    H    GLU  59           H        GLU  59  -2.155   0.024 -12.177
  443    HA   GLU  59           HA       GLU  59  -0.191  -0.305 -13.263
  444   1HB   GLU  59          1HB       GLU  59  -0.158   2.716 -13.287
  445   2HB   GLU  59          2HB       GLU  59   0.957   1.704 -14.195
  446   1HG   GLU  59          1HG       GLU  59  -0.947   0.730 -15.406
  447   2HG   GLU  59          2HG       GLU  59  -2.033   1.802 -14.526
  448    H    MET  60           H        MET  60  -0.342   0.505 -10.219
  449    HA   MET  60           HA       MET  60   2.340   1.362  -9.667
  450   1HB   MET  60          1HB       MET  60   0.474   1.916  -8.163
  451   2HB   MET  60          2HB       MET  60   0.238   0.209  -7.822
  452   1HG   MET  60          1HG       MET  60   2.460   0.103  -6.813
  453   2HG   MET  60          2HG       MET  60   2.693   1.816  -7.153
  454   1HE   MET  60          1HE       MET  60   2.923   0.317  -4.220
  455   2HE   MET  60          2HE       MET  60   2.263   1.628  -3.241
  456   3HE   MET  60          3HE       MET  60   3.363   1.987  -4.572
  457    H    LEU  61           H        LEU  61   1.045  -1.529 -10.656
  458    HA   LEU  61           HA       LEU  61   3.450  -2.962  -9.938
  459   1HB   LEU  61          1HB       LEU  61   1.762  -3.274  -8.054
  460   2HB   LEU  61          2HB       LEU  61   0.788  -4.163  -9.202
  461    HG   LEU  61           HG       LEU  61   3.623  -4.987  -8.675
  462   1HD1  LEU  61          1HD1      LEU  61   2.762  -6.539  -6.963
  463   2HD1  LEU  61          2HD1      LEU  61   1.196  -5.733  -7.051
  464   3HD1  LEU  61          3HD1      LEU  61   2.613  -4.848  -6.484
  465   1HD2  LEU  61          1HD2      LEU  61   1.142  -6.419  -9.598
  466   2HD2  LEU  61          2HD2      LEU  61   2.674  -7.209  -9.234
  467   3HD2  LEU  61          3HD2      LEU  61   2.575  -6.039 -10.551
  468    H    LYS  62           H        LYS  62   3.976  -3.297 -12.043
  469    HA   LYS  62           HA       LYS  62   1.997  -4.297 -13.915
  470   1HB   LYS  62          1HB       LYS  62   4.933  -3.639 -14.207
  471   2HB   LYS  62          2HB       LYS  62   3.948  -4.271 -15.518
  472   1HG   LYS  62          1HG       LYS  62   2.953  -1.854 -14.126
  473   2HG   LYS  62          2HG       LYS  62   4.372  -1.674 -15.159
  474   1HD   LYS  62          1HD       LYS  62   2.506  -1.228 -16.539
  475   2HD   LYS  62          2HD       LYS  62   3.042  -2.854 -16.964
  476   1HE   LYS  62          1HE       LYS  62   1.287  -3.808 -15.569
  477   2HE   LYS  62          2HE       LYS  62   0.770  -2.191 -15.094
  478   1HZ   LYS  62          1HZ       LYS  62   0.714  -3.277 -17.859
  479   2HZ   LYS  62          2HZ       LYS  62   0.205  -1.732 -17.396
  480   3HZ   LYS  62          3HZ       LYS  62  -0.629  -3.097 -16.844
  481    H    GLY  63           H        GLY  63   1.590  -6.268 -12.697
  482   1HA   GLY  63          1HA       GLY  63   1.742  -8.584 -12.741
  483   2HA   GLY  63          2HA       GLY  63   3.230  -8.434 -13.662
  484    H    THR  64           H        THR  64   4.999  -7.268 -12.257
  485    HA   THR  64           HA       THR  64   5.002  -8.064  -9.483
  486    HB   THR  64           HB       THR  64   7.201  -9.294  -9.755
  487    HG1  THR  64           1HG      THR  64   7.932  -9.085 -11.749
  488   1HG2  THR  64          1HG2      THR  64   6.158 -11.424 -10.314
  489   2HG2  THR  64          2HG2      THR  64   4.781 -10.581 -11.022
  490   3HG2  THR  64          3HG2      THR  64   5.089 -10.464  -9.290
  491    H    GLU  65           H        GLU  65   5.484  -5.787 -11.581
  492    HA   GLU  65           HA       GLU  65   8.089  -4.849 -10.629
  493   1HB   GLU  65          1HB       GLU  65   6.302  -3.679 -12.760
  494   2HB   GLU  65          2HB       GLU  65   7.968  -3.236 -12.427
  495   1HG   GLU  65          1HG       GLU  65   7.020  -5.898 -13.457
  496   2HG   GLU  65          2HG       GLU  65   7.817  -4.638 -14.398
  497    H    LEU  66           H        LEU  66   7.956  -3.755  -8.749
  498    HA   LEU  66           HA       LEU  66   5.676  -2.336  -7.875
  499   1HB   LEU  66          1HB       LEU  66   8.509  -1.861  -6.962
  500   2HB   LEU  66          2HB       LEU  66   7.036  -1.551  -6.068
  501    HG   LEU  66           HG       LEU  66   7.744  -3.454  -5.040
  502   1HD1  LEU  66          1HD1      LEU  66   6.259  -4.657  -7.362
  503   2HD1  LEU  66          2HD1      LEU  66   5.509  -3.881  -5.967
  504   3HD1  LEU  66          3HD1      LEU  66   6.452  -5.356  -5.754
  505   1HD2  LEU  66          1HD2      LEU  66   9.534  -3.645  -7.070
  506   2HD2  LEU  66          2HD2      LEU  66   8.567  -5.106  -7.298
  507   3HD2  LEU  66          3HD2      LEU  66   9.358  -4.802  -5.752
  508    H    TYR  67           H        TYR  67   5.271  -0.114  -7.772
  509    HA   TYR  67           HA       TYR  67   7.041   1.640  -9.321
  510   1HB   TYR  67          1HB       TYR  67   4.148   1.078  -9.836
  511   2HB   TYR  67          2HB       TYR  67   4.778   2.690 -10.162
  512    HD1  TYR  67           1HD      TYR  67   4.791  -0.813 -11.199
  513    HD2  TYR  67           2HD      TYR  67   6.427   3.046 -11.928
  514    HE1  TYR  67           1HE      TYR  67   5.630  -1.585 -13.378
  515    HE2  TYR  67           2HE      TYR  67   7.270   2.285 -14.109
  516    HH   TYR  67           HH       TYR  67   6.292  -0.635 -15.540
  517    H    VAL  68           H        VAL  68   6.464   3.979  -9.021
  518    HA   VAL  68           HA       VAL  68   5.160   4.529  -6.460
  519    HB   VAL  68           HB       VAL  68   7.058   6.130  -5.936
  520   1HG1  VAL  68          1HG1      VAL  68   8.427   4.381  -4.904
  521   2HG1  VAL  68          2HG1      VAL  68   7.635   3.170  -5.913
  522   3HG1  VAL  68          3HG1      VAL  68   6.705   4.057  -4.705
  523   1HG2  VAL  68          1HG2      VAL  68   9.254   5.538  -6.900
  524   2HG2  VAL  68          2HG2      VAL  68   8.131   6.175  -8.102
  525   3HG2  VAL  68          3HG2      VAL  68   8.442   4.440  -8.015
  526    H    GLU  69           H        GLU  69   5.740   5.341  -9.679
  527    HA   GLU  69           HA       GLU  69   5.535   8.117  -9.699
  528   1HB   GLU  69          1HB       GLU  69   4.734   6.022 -11.702
  529   2HB   GLU  69          2HB       GLU  69   4.473   7.732 -12.015
  530   1HG   GLU  69          1HG       GLU  69   6.535   6.942 -13.032
  531   2HG   GLU  69          2HG       GLU  69   6.853   8.158 -11.795
  532    HA   PRO  70           HA       PRO  70   0.713   7.665 -10.027
  533   1HB   PRO  70          1HB       PRO  70  -0.344   5.329  -9.080
  534   2HB   PRO  70          2HB       PRO  70   0.014   5.622 -10.785
  535   1HG   PRO  70          1HG       PRO  70   1.614   4.137  -8.740
  536   2HG   PRO  70          2HG       PRO  70   1.302   3.724 -10.436
  537   1HD   PRO  70          1HD       PRO  70   3.629   4.820  -9.627
  538   2HD   PRO  70          2HD       PRO  70   2.921   5.172 -11.215
  539    H    VAL  71           H        VAL  71   2.565   6.191  -7.461
  540    HA   VAL  71           HA       VAL  71   0.732   6.681  -5.348
  541    HB   VAL  71           HB       VAL  71   3.729   6.472  -5.083
  542   1HG1  VAL  71          1HG1      VAL  71   1.513   5.725  -3.179
  543   2HG1  VAL  71          2HG1      VAL  71   2.474   7.198  -3.090
  544   3HG1  VAL  71          3HG1      VAL  71   3.245   5.630  -2.867
  545   1HG2  VAL  71          1HG2      VAL  71   3.386   4.049  -4.799
  546   2HG2  VAL  71          2HG2      VAL  71   2.960   4.601  -6.419
  547   3HG2  VAL  71          3HG2      VAL  71   1.691   4.254  -5.243
  548    H    TYR  72           H        TYR  72   3.504   8.481  -6.616
  549    HA   TYR  72           HA       TYR  72   3.576  10.513  -4.723
  550   1HB   TYR  72          1HB       TYR  72   4.141  10.739  -7.688
  551   2HB   TYR  72          2HB       TYR  72   4.661  11.881  -6.461
  552    HD1  TYR  72           1HD      TYR  72   6.400  10.351  -8.466
  553    HD2  TYR  72           2HD      TYR  72   5.337   9.567  -4.421
  554    HE1  TYR  72           1HE      TYR  72   8.484   9.080  -8.168
  555    HE2  TYR  72           2HE      TYR  72   7.418   8.295  -4.114
  556    HH   TYR  72           HH       TYR  72   9.054   7.082  -5.492
  557    H    LYS  73           H        LYS  73   1.259   9.844  -7.164
  558    HA   LYS  73           HA       LYS  73   0.163  12.503  -7.281
  559   1HB   LYS  73          1HB       LYS  73   0.067  10.965  -9.214
  560   2HB   LYS  73          2HB       LYS  73  -0.981   9.896  -8.293
  561   1HG   LYS  73          1HG       LYS  73  -2.331  11.189  -9.776
  562   2HG   LYS  73          2HG       LYS  73  -2.631  11.743  -8.128
  563   1HD   LYS  73          1HD       LYS  73  -0.857  13.529  -8.605
  564   2HD   LYS  73          2HD       LYS  73  -1.054  13.087 -10.302
  565   1HE   LYS  73          1HE       LYS  73  -3.216  14.075  -8.446
  566   2HE   LYS  73          2HE       LYS  73  -2.451  14.996  -9.740
  567   1HZ   LYS  73          1HZ       LYS  73  -3.352  13.439 -11.344
  568   2HZ   LYS  73          2HZ       LYS  73  -4.598  14.109 -10.418
  569   3HZ   LYS  73          3HZ       LYS  73  -4.069  12.531 -10.109
  570    H    MET  74           H        MET  74  -0.900   9.385  -5.892
  571    HA   MET  74           HA       MET  74  -3.270  10.452  -4.760
  572   1HB   MET  74          1HB       MET  74  -3.238   8.334  -3.377
  573   2HB   MET  74          2HB       MET  74  -3.245   8.117  -5.120
  574   1HG   MET  74          1HG       MET  74  -1.065   7.389  -5.175
  575   2HG   MET  74          2HG       MET  74  -0.662   8.140  -3.632
  576   1HE   MET  74          1HE       MET  74  -3.229   4.321  -4.033
  577   2HE   MET  74          2HE       MET  74  -2.565   5.205  -5.407
  578   3HE   MET  74          3HE       MET  74  -3.838   5.930  -4.425
  579    H    ILE  75           H        ILE  75   0.014  10.028  -3.531
  580    HA   ILE  75           HA       ILE  75  -0.421  10.437  -0.822
  581    HB   ILE  75           HB       ILE  75   1.906  11.344  -2.524
  582   1HG1  ILE  75          1HG1      ILE  75   1.626   8.945  -0.704
  583   2HG1  ILE  75          2HG1      ILE  75   1.445   8.895  -2.453
  584   1HG2  ILE  75          1HG2      ILE  75   1.673  11.186   0.476
  585   2HG2  ILE  75          2HG2      ILE  75   1.883  12.643  -0.497
  586   3HG2  ILE  75          3HG2      ILE  75   3.175  11.448  -0.409
  587   1HD1  ILE  75          1HD1      ILE  75   3.741   9.505  -2.763
  588   2HD1  ILE  75          2HD1      ILE  75   3.654   8.135  -1.654
  589   3HD1  ILE  75          3HD1      ILE  75   3.948   9.759  -1.029
  590    H    GLU  76           H        GLU  76  -0.733  12.589  -3.462
  591    HA   GLU  76           HA       GLU  76  -0.374  15.047  -2.070
  592   1HB   GLU  76          1HB       GLU  76  -1.947  14.547  -4.597
  593   2HB   GLU  76          2HB       GLU  76  -1.349  16.098  -4.032
  594   1HG   GLU  76          1HG       GLU  76   0.953  15.273  -4.272
  595   2HG   GLU  76          2HG       GLU  76   0.321  13.755  -4.906
  596    H    VAL  77           H        VAL  77  -3.376  13.483  -3.238
  597    HA   VAL  77           HA       VAL  77  -4.965  15.293  -1.610
  598    HB   VAL  77           HB       VAL  77  -5.914  13.046  -3.386
  599   1HG1  VAL  77          1HG1      VAL  77  -8.042  14.293  -3.365
  600   2HG1  VAL  77          2HG1      VAL  77  -7.353  15.411  -2.188
  601   3HG1  VAL  77          3HG1      VAL  77  -7.579  13.714  -1.765
  602   1HG2  VAL  77          1HG2      VAL  77  -6.346  14.792  -5.056
  603   2HG2  VAL  77          2HG2      VAL  77  -4.629  14.660  -4.676
  604   3HG2  VAL  77          3HG2      VAL  77  -5.582  15.981  -4.001
  605    H    VAL  78           H        VAL  78  -4.236  11.834  -1.733
  606    HA   VAL  78           HA       VAL  78  -6.063  10.923   0.152
  607    HB   VAL  78           HB       VAL  78  -4.306   9.695  -1.390
  608   1HG1  VAL  78          1HG1      VAL  78  -2.496   8.698  -0.210
  609   2HG1  VAL  78          2HG1      VAL  78  -2.987   9.474   1.294
  610   3HG1  VAL  78          3HG1      VAL  78  -2.374  10.450  -0.044
  611   1HG2  VAL  78          1HG2      VAL  78  -4.977   7.680  -0.435
  612   2HG2  VAL  78          2HG2      VAL  78  -6.260   8.803   0.022
  613   3HG2  VAL  78          3HG2      VAL  78  -5.012   8.359   1.191
  614    H    HIS  79           H        HIS  79  -3.548  13.047   0.636
  615    HA   HIS  79           HA       HIS  79  -3.727  12.689   3.549
  616   1HB   HIS  79          1HB       HIS  79  -1.244  13.231   1.918
  617   2HB   HIS  79          2HB       HIS  79  -1.340  13.611   3.632
  618    HD1  HIS  79           1HD      HIS  79  -1.677  11.548   5.268
  619    HD2  HIS  79           2HD      HIS  79  -0.750  10.589   1.335
  620    HE1  HIS  79           1HE      HIS  79  -0.949   9.142   5.314
  621    HE2  HIS  79           2HE      HIS  79  -0.398   8.581   2.923
  622    H    ALA  80           H        ALA  80  -5.376  14.351   2.059
  623    HA   ALA  80           HA       ALA  80  -4.524  16.987   1.729
  624   1HB   ALA  80          1HB       ALA  80  -7.287  16.050   2.488
  625   2HB   ALA  80          2HB       ALA  80  -6.639  16.089   0.849
  626   3HB   ALA  80          3HB       ALA  80  -6.867  17.592   1.742
  627    H    GLY  81           H        GLY  81  -3.894  18.480   3.123
  628   1HA   GLY  81          1HA       GLY  81  -5.026  19.483   5.319
  629   2HA   GLY  81          2HA       GLY  81  -4.265  18.041   5.975
  630    H    ASN  82           H        ASN  82  -1.882  17.811   5.219
  631    HA   ASN  82           HA       ASN  82  -0.588  20.436   5.553
  632   1HB   ASN  82          1HB       ASN  82   0.372  17.712   6.456
  633   2HB   ASN  82          2HB       ASN  82   1.282  19.209   6.623
  634   1HD2  ASN  82          1HD2      ASN  82   1.355  19.049   8.849
  635   2HD2  ASN  82          2HD2      ASN  82  -0.030  19.323   9.844
  636    H    ALA  83           H        ALA  83   1.369  20.820   4.429
  637    HA   ALA  83           HA       ALA  83   1.439  19.583   1.821
  638   1HB   ALA  83          1HB       ALA  83   3.117  21.263   1.292
  639   2HB   ALA  83          2HB       ALA  83   3.203  21.733   2.990
  640   3HB   ALA  83          3HB       ALA  83   1.721  22.002   2.072
  641    H    ASP  84           H        ASP  84   3.097  19.197   4.812
  642    HA   ASP  84           HA       ASP  84   5.443  18.010   3.608
  643   1HB   ASP  84          1HB       ASP  84   6.249  17.676   5.840
  644   2HB   ASP  84          2HB       ASP  84   5.614  19.313   5.700
  645    H    ASP  85           H        ASP  85   2.436  16.895   5.053
  646    HA   ASP  85           HA       ASP  85   3.199  14.236   5.514
  647   1HB   ASP  85          1HB       ASP  85   0.801  13.671   5.344
  648   2HB   ASP  85          2HB       ASP  85   1.071  15.087   6.352
  649    H    ILE  86           H        ILE  86   2.684  16.030   2.673
  650    HA   ILE  86           HA       ILE  86   2.405  13.736   0.932
  651    HB   ILE  86           HB       ILE  86   2.868  16.647   0.236
  652   1HG1  ILE  86          1HG1      ILE  86   0.297  15.051   0.235
  653   2HG1  ILE  86          2HG1      ILE  86   0.745  16.240   1.452
  654   1HG2  ILE  86          1HG2      ILE  86   3.559  15.124  -1.542
  655   2HG2  ILE  86          2HG2      ILE  86   2.113  16.021  -2.005
  656   3HG2  ILE  86          3HG2      ILE  86   1.981  14.338  -1.494
  657   1HD1  ILE  86          1HD1      ILE  86   0.275  16.786  -1.469
  658   2HD1  ILE  86          2HD1      ILE  86   0.746  17.983  -0.262
  659   3HD1  ILE  86          3HD1      ILE  86  -0.817  17.174  -0.141
  660    H    GLN  87           H        GLN  87   4.832  15.898   2.139
  661    HA   GLN  87           HA       GLN  87   6.880  15.072   0.302
  662   1HB   GLN  87          1HB       GLN  87   6.978  16.741   2.807
  663   2HB   GLN  87          2HB       GLN  87   8.372  16.430   1.780
  664   1HG   GLN  87          1HG       GLN  87   5.870  17.924   1.071
  665   2HG   GLN  87          2HG       GLN  87   7.494  18.580   1.254
  666   1HE2  GLN  87          1HE2      GLN  87   9.026  18.212  -0.356
  667   2HE2  GLN  87          2HE2      GLN  87   8.581  17.686  -1.940
  668    H    LEU  88           H        LEU  88   5.611  13.951   3.264
  669    HA   LEU  88           HA       LEU  88   8.012  12.580   4.104
  670   1HB   LEU  88          1HB       LEU  88   6.478  13.450   5.777
  671   2HB   LEU  88          2HB       LEU  88   5.177  12.466   5.133
  672    HG   LEU  88           HG       LEU  88   6.406  10.431   5.808
  673   1HD1  LEU  88          1HD1      LEU  88   8.328  10.652   7.325
  674   2HD1  LEU  88          2HD1      LEU  88   8.339  12.392   7.035
  675   3HD1  LEU  88          3HD1      LEU  88   8.673  11.276   5.712
  676   1HD2  LEU  88          1HD2      LEU  88   5.950  12.431   8.019
  677   2HD2  LEU  88          2HD2      LEU  88   6.049  10.681   8.216
  678   3HD2  LEU  88          3HD2      LEU  88   4.728  11.391   7.289
  679    H    VAL  89           H        VAL  89   4.728  11.432   3.306
  680    HA   VAL  89           HA       VAL  89   5.286   8.736   3.097
  681    HB   VAL  89           HB       VAL  89   3.302  10.254   1.401
  682   1HG1  VAL  89          1HG1      VAL  89   3.432   7.358   2.227
  683   2HG1  VAL  89          2HG1      VAL  89   3.616   8.004   0.597
  684   3HG1  VAL  89          3HG1      VAL  89   2.060   8.114   1.418
  685   1HG2  VAL  89          1HG2      VAL  89   3.003   9.081   4.162
  686   2HG2  VAL  89          2HG2      VAL  89   1.687   9.730   3.186
  687   3HG2  VAL  89          3HG2      VAL  89   2.982  10.793   3.740
  688    H    LYS  90           H        LYS  90   5.547  11.231   0.606
  689    HA   LYS  90           HA       LYS  90   6.042   9.670  -1.612
  690   1HB   LYS  90          1HB       LYS  90   6.310  12.422  -0.864
  691   2HB   LYS  90          2HB       LYS  90   7.713  11.943  -1.799
  692   1HG   LYS  90          1HG       LYS  90   6.466  11.456  -3.672
  693   2HG   LYS  90          2HG       LYS  90   4.972  11.273  -2.758
  694   1HD   LYS  90          1HD       LYS  90   4.802  13.608  -2.412
  695   2HD   LYS  90          2HD       LYS  90   6.428  13.892  -3.031
  696   1HE   LYS  90          1HE       LYS  90   5.657  13.050  -5.244
  697   2HE   LYS  90          2HE       LYS  90   4.023  12.955  -4.589
  698   1HZ   LYS  90          1HZ       LYS  90   4.319  15.003  -5.795
  699   2HZ   LYS  90          2HZ       LYS  90   5.663  15.417  -4.855
  700   3HZ   LYS  90          3HZ       LYS  90   4.127  15.348  -4.149
  701    H    GLY  91           H        GLY  91   8.207  10.519   1.015
  702   1HA   GLY  91          1HA       GLY  91  10.525   9.414  -0.361
  703   2HA   GLY  91          2HA       GLY  91  10.502  10.120   1.248
  704    H    ILE  92           H        ILE  92   8.115   8.347   1.889
  705    HA   ILE  92           HA       ILE  92   9.600   6.232   3.060
  706    HB   ILE  92           HB       ILE  92   6.602   6.392   2.731
  707   1HG1  ILE  92          1HG1      ILE  92   7.375   8.409   3.822
  708   2HG1  ILE  92          2HG1      ILE  92   6.626   7.364   5.023
  709   1HG2  ILE  92          1HG2      ILE  92   7.342   4.185   3.360
  710   2HG2  ILE  92          2HG2      ILE  92   6.582   4.964   4.749
  711   3HG2  ILE  92          3HG2      ILE  92   8.340   4.850   4.654
  712   1HD1  ILE  92          1HD1      ILE  92   8.867   6.631   5.735
  713   2HD1  ILE  92          2HD1      ILE  92   8.615   8.365   5.928
  714   3HD1  ILE  92          3HD1      ILE  92   9.577   7.760   4.581
  715    H    ALA  93           H        ALA  93   7.545   6.483   0.212
  716    HA   ALA  93           HA       ALA  93   7.412   3.730  -0.397
  717   1HB   ALA  93          1HB       ALA  93   7.273   6.062  -2.309
  718   2HB   ALA  93          2HB       ALA  93   5.915   5.432  -1.377
  719   3HB   ALA  93          3HB       ALA  93   6.686   4.424  -2.601
  720    H    ASN  94           H        ASN  94   9.902   6.046  -0.665
  721    HA   ASN  94           HA       ASN  94  11.392   4.726  -2.738
  722   1HB   ASN  94          1HB       ASN  94  11.857   7.060  -0.921
  723   2HB   ASN  94          2HB       ASN  94  13.224   6.348  -1.763
  724   1HD2  ASN  94          1HD2      ASN  94  10.254   8.099  -2.085
  725   2HD2  ASN  94          2HD2      ASN  94  10.475   8.581  -3.729
  726    H    GLU  95           H        GLU  95  11.072   4.456   0.674
  727    HA   GLU  95           HA       GLU  95  13.605   3.135   1.091
  728   1HB   GLU  95          1HB       GLU  95  11.216   3.356   2.941
  729   2HB   GLU  95          2HB       GLU  95  12.833   2.825   3.390
  730   1HG   GLU  95          1HG       GLU  95  13.709   5.046   2.817
  731   2HG   GLU  95          2HG       GLU  95  12.074   5.573   2.420
  732    H    CYS  96           H        CYS  96  10.465   2.249   0.100
  733    HA   CYS  96           HA       CYS  96  10.554  -0.475   1.013
  734   1HB   CYS  96          1HB       CYS  96   8.719   1.125  -0.724
  735   2HB   CYS  96          2HB       CYS  96   8.589  -0.629  -0.701
  736    H    ILE  97           H        ILE  97  10.864   1.110  -2.162
  737    HA   ILE  97           HA       ILE  97  11.216  -1.069  -3.784
  738    HB   ILE  97           HB       ILE  97  12.833   1.471  -4.020
  739   1HG1  ILE  97          1HG1      ILE  97  10.052   0.882  -5.067
  740   2HG1  ILE  97          2HG1      ILE  97  10.414   1.933  -3.703
  741   1HG2  ILE  97          1HG2      ILE  97  13.550  -0.306  -5.517
  742   2HG2  ILE  97          2HG2      ILE  97  12.760   0.983  -6.425
  743   3HG2  ILE  97          3HG2      ILE  97  11.894  -0.516  -6.087
  744   1HD1  ILE  97          1HD1      ILE  97  11.262   2.372  -6.557
  745   2HD1  ILE  97          2HD1      ILE  97  11.664   3.417  -5.194
  746   3HD1  ILE  97          3HD1      ILE  97   9.983   3.229  -5.696
  747    H    GLU  98           H        GLU  98  13.401   0.139  -1.381
  748    HA   GLU  98           HA       GLU  98  15.785  -1.042  -2.353
  749   1HB   GLU  98          1HB       GLU  98  15.062  -0.391   0.507
  750   2HB   GLU  98          2HB       GLU  98  16.680  -0.639  -0.129
  751   1HG   GLU  98          1HG       GLU  98  16.406   1.340  -1.555
  752   2HG   GLU  98          2HG       GLU  98  14.807   1.599  -0.860
  753    H    ASN  99           H        ASN  99  13.352  -2.138   0.000
  754    HA   ASN  99           HA       ASN  99  14.695  -4.668   0.390
  755   1HB   ASN  99          1HB       ASN  99  11.908  -4.001   1.290
  756   2HB   ASN  99          2HB       ASN  99  13.071  -5.091   2.044
  757   1HD2  ASN  99          1HD2      ASN  99  12.052  -1.820   1.617
  758   2HD2  ASN  99          2HD2      ASN  99  13.035  -1.124   2.854
  759    H    ALA 100           H        ALA 100  12.301  -3.349  -1.670
  760    HA   ALA 100           HA       ALA 100  10.886  -5.743  -2.285
  761   1HB   ALA 100          1HB       ALA 100  10.011  -4.422  -4.191
  762   2HB   ALA 100          2HB       ALA 100  11.113  -3.119  -3.747
  763   3HB   ALA 100          3HB       ALA 100   9.838  -3.619  -2.633
  764    H    LYS 101           H        LYS 101  13.614  -4.044  -3.747
  765    HA   LYS 101           HA       LYS 101  14.883  -4.509  -5.578
  766   1HB   LYS 101          1HB       LYS 101  15.274  -7.294  -4.893
  767   2HB   LYS 101          2HB       LYS 101  16.387  -5.939  -4.838
  768   1HG   LYS 101          1HG       LYS 101  16.041  -5.535  -2.640
  769   2HG   LYS 101          2HG       LYS 101  14.374  -6.100  -2.686
  770   1HD   LYS 101          1HD       LYS 101  16.706  -7.970  -2.984
  771   2HD   LYS 101          2HD       LYS 101  16.048  -7.531  -1.406
  772   1HE   LYS 101          1HE       LYS 101  13.857  -8.379  -2.078
  773   2HE   LYS 101          2HE       LYS 101  14.501  -8.795  -3.667
  774   1HZ   LYS 101          1HZ       LYS 101  16.035 -10.335  -2.576
  775   2HZ   LYS 101          2HZ       LYS 101  14.425 -10.731  -2.251
  776   3HZ   LYS 101          3HZ       LYS 101  15.359  -9.960  -1.071
  777    H    GLY 102           H        GLY 102  12.122  -4.846  -6.208
  778   1HA   GLY 102          1HA       GLY 102  10.788  -5.695  -7.863
  779   2HA   GLY 102          2HA       GLY 102  12.287  -6.029  -8.711
  780    H    GLU 103           H        GLU 103  10.270  -7.365  -6.087
  781    HA   GLU 103           HA       GLU 103  11.278 -10.006  -6.376
  782   1HB   GLU 103          1HB       GLU 103   8.895  -8.808  -5.000
  783   2HB   GLU 103          2HB       GLU 103   9.044 -10.554  -5.137
  784   1HG   GLU 103          1HG       GLU 103  11.020  -8.702  -3.824
  785   2HG   GLU 103          2HG       GLU 103   9.884  -9.771  -3.004
  786    H    THR 104           H        THR 104   9.997 -11.889  -7.083
  787    HA   THR 104           HA       THR 104   8.426 -11.215  -9.480
  788    HB   THR 104           HB       THR 104   8.985 -13.485 -10.293
  789    HG1  THR 104           1HG      THR 104   9.377 -14.354  -8.128
  790   1HG2  THR 104          1HG2      THR 104  11.380 -11.815  -9.518
  791   2HG2  THR 104          2HG2      THR 104  10.379 -11.588 -10.952
  792   3HG2  THR 104          3HG2      THR 104  11.350 -13.050 -10.778
  793    H    ASP 105           H        ASP 105   7.862 -11.998  -6.405
  794    HA   ASP 105           HA       ASP 105   5.656 -13.842  -7.029
  795   1HB   ASP 105          1HB       ASP 105   7.374 -14.524  -5.297
  796   2HB   ASP 105          2HB       ASP 105   6.766 -13.215  -4.299
  797    H    GLU 106           H        GLU 106   3.573 -13.395  -6.293
  798    HA   GLU 106           HA       GLU 106   2.856 -10.646  -6.281
  799   1HB   GLU 106          1HB       GLU 106   1.403 -12.366  -7.237
  800   2HB   GLU 106          2HB       GLU 106   1.191 -13.086  -5.647
  801   1HG   GLU 106          1HG       GLU 106   0.092 -11.045  -4.870
  802   2HG   GLU 106          2HG       GLU 106   0.298 -10.331  -6.468
  803    H    CYS 107           H        CYS 107   2.075 -13.078  -3.789
  804    HA   CYS 107           HA       CYS 107   1.392 -11.249  -1.815
  805   1HB   CYS 107          1HB       CYS 107   2.201 -14.136  -1.769
  806   2HB   CYS 107          2HB       CYS 107   1.941 -13.266  -0.262
  807    H    ASN 108           H        ASN 108   4.516 -12.799  -2.505
  808    HA   ASN 108           HA       ASN 108   5.906 -11.846  -0.277
  809   1HB   ASN 108          1HB       ASN 108   6.685 -13.449  -2.194
  810   2HB   ASN 108          2HB       ASN 108   7.208 -11.966  -2.985
  811   1HD2  ASN 108          1HD2      ASN 108   8.099 -10.511  -0.842
  812   2HD2  ASN 108          2HD2      ASN 108   9.483 -11.280  -0.154
  813    H    ILE 109           H        ILE 109   5.249 -10.391  -3.426
  814    HA   ILE 109           HA       ILE 109   6.642  -7.981  -3.026
  815    HB   ILE 109           HB       ILE 109   4.575  -8.945  -4.912
  816   1HG1  ILE 109          1HG1      ILE 109   6.968  -7.156  -5.345
  817   2HG1  ILE 109          2HG1      ILE 109   7.055  -8.910  -5.327
  818   1HG2  ILE 109          1HG2      ILE 109   4.210  -6.642  -5.821
  819   2HG2  ILE 109          2HG2      ILE 109   4.909  -6.011  -4.331
  820   3HG2  ILE 109          3HG2      ILE 109   3.424  -6.961  -4.276
  821   1HD1  ILE 109          1HD1      ILE 109   6.986  -8.061  -7.592
  822   2HD1  ILE 109          2HD1      ILE 109   5.462  -7.242  -7.252
  823   3HD1  ILE 109          3HD1      ILE 109   5.539  -9.004  -7.235
  824    H    GLY 110           H        GLY 110   3.496  -9.124  -2.053
  825   1HA   GLY 110          1HA       GLY 110   2.364  -6.634  -1.324
  826   2HA   GLY 110          2HA       GLY 110   1.838  -8.220  -0.767
  827    H    ASN 111           H        ASN 111   4.089  -9.116   0.530
  828    HA   ASN 111           HA       ASN 111   3.810  -7.728   3.005
  829   1HB   ASN 111          1HB       ASN 111   4.097 -10.148   2.905
  830   2HB   ASN 111          2HB       ASN 111   5.718  -9.940   2.255
  831   1HD2  ASN 111          1HD2      ASN 111   4.083  -8.193   4.878
  832   2HD2  ASN 111          2HD2      ASN 111   5.196  -8.652   6.103
  833    H    LYS 112           H        LYS 112   6.551  -8.028   0.736
  834    HA   LYS 112           HA       LYS 112   8.456  -6.719   2.283
  835   1HB   LYS 112          1HB       LYS 112   9.548  -6.134   0.088
  836   2HB   LYS 112          2HB       LYS 112   9.214  -7.836   0.335
  837   1HG   LYS 112          1HG       LYS 112   8.448  -7.669  -1.775
  838   2HG   LYS 112          2HG       LYS 112   6.977  -7.151  -0.951
  839   1HD   LYS 112          1HD       LYS 112   7.347  -4.909  -1.441
  840   2HD   LYS 112          2HD       LYS 112   9.066  -5.158  -1.734
  841   1HE   LYS 112          1HE       LYS 112   6.798  -6.109  -3.477
  842   2HE   LYS 112          2HE       LYS 112   7.873  -4.754  -3.815
  843   1HZ   LYS 112          1HZ       LYS 112   8.699  -7.597  -3.573
  844   2HZ   LYS 112          2HZ       LYS 112   9.732  -6.297  -3.895
  845   3HZ   LYS 112          3HZ       LYS 112   8.547  -6.732  -5.020
  846    H    TYR 113           H        TYR 113   6.191  -5.311  -0.068
  847    HA   TYR 113           HA       TYR 113   7.175  -2.659   0.322
  848   1HB   TYR 113          1HB       TYR 113   5.666  -3.878  -1.613
  849   2HB   TYR 113          2HB       TYR 113   4.464  -2.898  -0.776
  850    HD1  TYR 113           1HD      TYR 113   4.630  -0.452  -0.767
  851    HD2  TYR 113           2HD      TYR 113   7.456  -2.849  -2.868
  852    HE1  TYR 113           1HE      TYR 113   5.386   1.531  -2.009
  853    HE2  TYR 113           2HE      TYR 113   8.220  -0.869  -4.108
  854    HH   TYR 113           HH       TYR 113   7.403   2.289  -3.220
  855    H    THR 114           H        THR 114   4.330  -4.433   1.506
  856    HA   THR 114           HA       THR 114   3.205  -2.194   2.849
  857    HB   THR 114           HB       THR 114   1.984  -4.333   2.187
  858    HG1  THR 114           1HG      THR 114   0.543  -3.526   3.505
  859   1HG2  THR 114          1HG2      THR 114   1.985  -6.160   3.778
  860   2HG2  THR 114          2HG2      THR 114   3.140  -5.310   4.804
  861   3HG2  THR 114          3HG2      THR 114   3.632  -5.883   3.212
  862    H    ASP 115           H        ASP 115   5.720  -4.421   3.623
  863    HA   ASP 115           HA       ASP 115   5.672  -4.316   6.429
  864   1HB   ASP 115          1HB       ASP 115   7.019  -5.948   5.191
  865   2HB   ASP 115          2HB       ASP 115   8.032  -4.650   4.561
  866    H    CYS 116           H        CYS 116   7.819  -2.563   4.206
  867    HA   CYS 116           HA       CYS 116   8.926  -0.838   6.098
  868   1HB   CYS 116          1HB       CYS 116   9.156   0.629   3.861
  869   2HB   CYS 116          2HB       CYS 116  10.162  -0.778   4.193
  870    H    TYR 117           H        TYR 117   6.060  -0.439   4.055
  871    HA   TYR 117           HA       TYR 117   5.546   2.251   4.574
  872   1HB   TYR 117          1HB       TYR 117   4.183   0.074   3.331
  873   2HB   TYR 117          2HB       TYR 117   3.052   0.895   4.402
  874    HD1  TYR 117           1HD      TYR 117   1.809   2.588   3.462
  875    HD2  TYR 117           2HD      TYR 117   5.699   1.819   1.918
  876    HE1  TYR 117           1HE      TYR 117   1.480   4.344   1.772
  877    HE2  TYR 117           2HE      TYR 117   5.381   3.574   0.225
  878    HH   TYR 117           HH       TYR 117   2.849   5.824   0.363
  879    H    ILE 118           H        ILE 118   4.943  -0.581   6.528
  880    HA   ILE 118           HA       ILE 118   3.264   0.837   8.415
  881    HB   ILE 118           HB       ILE 118   4.473  -1.929   8.530
  882   1HG1  ILE 118          1HG1      ILE 118   2.748  -1.542   6.770
  883   2HG1  ILE 118          2HG1      ILE 118   2.267  -2.731   7.974
  884   1HG2  ILE 118          1HG2      ILE 118   4.133  -1.145  10.775
  885   2HG2  ILE 118          2HG2      ILE 118   2.875  -2.319  10.384
  886   3HG2  ILE 118          3HG2      ILE 118   2.504  -0.595  10.380
  887   1HD1  ILE 118          1HD1      ILE 118   0.422  -1.270   7.388
  888   2HD1  ILE 118          2HD1      ILE 118   1.371   0.139   7.864
  889   3HD1  ILE 118          3HD1      ILE 118   0.885  -1.046   9.075
  890    H    GLU 119           H        GLU 119   6.613  -0.083   8.075
  891    HA   GLU 119           HA       GLU 119   7.371   0.306  10.776
  892   1HB   GLU 119          1HB       GLU 119   8.681  -1.017   9.148
  893   2HB   GLU 119          2HB       GLU 119   9.089   0.467   8.298
  894   1HG   GLU 119          1HG       GLU 119  10.278   1.290  10.237
  895   2HG   GLU 119          2HG       GLU 119   9.810  -0.140  11.156
  896    H    LYS 120           H        LYS 120   7.890   2.386   7.904
  897    HA   LYS 120           HA       LYS 120   8.707   4.567   9.628
  898   1HB   LYS 120          1HB       LYS 120   8.412   4.469   6.625
  899   2HB   LYS 120          2HB       LYS 120   9.133   5.785   7.541
  900   1HG   LYS 120          1HG       LYS 120  11.004   4.665   6.881
  901   2HG   LYS 120          2HG       LYS 120  10.702   3.881   8.434
  902   1HD   LYS 120          1HD       LYS 120   9.627   2.020   7.334
  903   2HD   LYS 120          2HD       LYS 120   9.763   2.823   5.769
  904   1HE   LYS 120          1HE       LYS 120  12.222   2.762   5.991
  905   2HE   LYS 120          2HE       LYS 120  12.040   1.875   7.504
  906   1HZ   LYS 120          1HZ       LYS 120  11.129   0.953   4.830
  907   2HZ   LYS 120          2HZ       LYS 120  10.935   0.102   6.280
  908   3HZ   LYS 120          3HZ       LYS 120  12.487   0.383   5.665
  909    H    LEU 121           H        LEU 121   6.053   3.996   7.299
  910    HA   LEU 121           HA       LEU 121   4.823   6.500   8.183
  911   1HB   LEU 121          1HB       LEU 121   5.097   6.080   5.771
  912   2HB   LEU 121          2HB       LEU 121   4.058   4.677   5.911
  913    HG   LEU 121           HG       LEU 121   2.199   6.140   6.600
  914   1HD1  LEU 121          1HD1      LEU 121   2.394   8.558   6.307
  915   2HD1  LEU 121          2HD1      LEU 121   4.112   8.377   5.949
  916   3HD1  LEU 121          3HD1      LEU 121   3.499   7.974   7.552
  917   1HD2  LEU 121          1HD2      LEU 121   1.812   7.131   4.389
  918   2HD2  LEU 121          2HD2      LEU 121   2.426   5.480   4.280
  919   3HD2  LEU 121          3HD2      LEU 121   3.503   6.843   3.978
  920    H    PHE 122           H        PHE 122   4.500   3.148   8.773
  921    HA   PHE 122           HA       PHE 122   3.003   1.958  10.008
  922   1HB   PHE 122          1HB       PHE 122   2.799   3.395  11.772
  923   2HB   PHE 122          2HB       PHE 122   2.375   4.762  10.753
  924    HD1  PHE 122           1HD      PHE 122   1.021   1.604  12.152
  925    HD2  PHE 122           2HD      PHE 122   0.168   5.479  10.616
  926    HE1  PHE 122           1HE      PHE 122  -1.333   1.340  12.819
  927    HE2  PHE 122           2HE      PHE 122  -2.185   5.226  11.278
  928    HZ   PHE 122           HZ       PHE 122  -2.950   3.157  12.355
  929    H    SER 123           H        SER 123   2.098   3.886   7.385
  930    HA   SER 123           HA       SER 123  -0.649   3.394   7.168
  931   1HB   SER 123          1HB       SER 123   0.488   5.033   5.756
  932   2HB   SER 123          2HB       SER 123   1.408   3.748   4.972
  933    HG   SER 123           HG       SER 123  -0.544   2.931   4.154
  934   1H4   TSD 124          1H4       TSP 124   0.182   2.307   1.301
  935   2H4   TSD 124          2H4       TSP 124  -1.443   2.070   1.901
  936   3H4   TSD 124          3H4       TSP 124  -1.133   3.269   0.666
  937   1H5   TSD 124          1H5       TSP 124   0.572  -0.255   0.809
  938   2H5   TSD 124          2H5       TSP 124   0.868  -0.096  -0.906
  939   3H5   TSD 124          3H5       TSP 124  -0.340  -1.220  -0.327
  940   1H6   TSD 124          1H6       TSP 124  -0.119   2.002  -2.211
  941   2H6   TSD 124          2H6       TSP 124  -1.664   2.749  -1.880
  942   3H6   TSD 124          3H6       TSP 124  -1.598   1.167  -2.619
  943   1D3   TSD 124          1D3       TSP 124  -2.948  -0.446  -0.749
  944   2D3   TSD 124          2D3       TSP 124  -2.771  -0.201   0.977
  945   1D2   TSD 124          1D2       TSP 124  -4.039   1.760  -0.962
  946   2D2   TSD 124          2D2       TSP 124  -3.850   2.021   0.771